################################### # 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 18221 _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' . . . 18221 1 2 '2D HNCO' . . . 18221 1 3 '3D HNCO' . . . 18221 1 4 '3D HNCA' . . . 18221 1 5 '3D HNCACB' . . . 18221 1 8 '3D 1H-15N NOESY' . . . 18221 1 9 '3D 1H-15N NOESY' . . . 18221 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 4 4 LEU H H 1 8.599 0.010 . 1 . . . . -5 LEU H . 18221 1 2 . 1 1 4 4 LEU C C 13 177.486 0.100 . 1 . . . . -5 LEU C . 18221 1 3 . 1 1 4 4 LEU CA C 13 57.048 0.100 . 1 . . . . -5 LEU CA . 18221 1 4 . 1 1 4 4 LEU CB C 13 41.418 0.100 . 1 . . . . -5 LEU CB . 18221 1 5 . 1 1 4 4 LEU N N 15 125.252 0.100 . 1 . . . . -5 LEU N . 18221 1 6 . 1 1 5 5 TYR H H 1 7.58 0.010 . 1 . . . . -4 TYR H . 18221 1 7 . 1 1 5 5 TYR CA C 13 58.761 0.100 . 1 . . . . -4 TYR CA . 18221 1 8 . 1 1 5 5 TYR N N 15 115.731 0.100 . 1 . . . . -4 TYR N . 18221 1 9 . 1 1 6 6 LYS H H 1 7.446 0.010 . 1 . . . . -3 LYS H . 18221 1 10 . 1 1 6 6 LYS C C 13 177.876 0.100 . 1 . . . . -3 LYS C . 18221 1 11 . 1 1 6 6 LYS CA C 13 56.565 0.100 . 1 . . . . -3 LYS CA . 18221 1 12 . 1 1 6 6 LYS CB C 13 31.625 0.100 . 1 . . . . -3 LYS CB . 18221 1 13 . 1 1 6 6 LYS N N 15 119.634 0.100 . 1 . . . . -3 LYS N . 18221 1 14 . 1 1 7 7 LYS H H 1 7.881 0.010 . 1 . . . . -2 LYS H . 18221 1 15 . 1 1 7 7 LYS C C 13 177.398 0.100 . 1 . . . . -2 LYS C . 18221 1 16 . 1 1 7 7 LYS CA C 13 56.641 0.100 . 1 . . . . -2 LYS CA . 18221 1 17 . 1 1 7 7 LYS CB C 13 31.625 0.100 . 1 . . . . -2 LYS CB . 18221 1 18 . 1 1 7 7 LYS N N 15 119.784 0.100 . 1 . . . . -2 LYS N . 18221 1 19 . 1 1 8 8 VAL H H 1 7.632 0.010 . 1 . . . . -1 VAL H . 18221 1 20 . 1 1 8 8 VAL HA H 1 4.019 0.010 . 1 . . . . -1 VAL HA . 18221 1 21 . 1 1 8 8 VAL HB H 1 2.164 0.010 . 1 . . . . -1 VAL HB . 18221 1 22 . 1 1 8 8 VAL HG11 H 1 0.949 0.010 . 2 . . . . -1 VAL HG . 18221 1 23 . 1 1 8 8 VAL HG12 H 1 0.949 0.010 . 2 . . . . -1 VAL HG . 18221 1 24 . 1 1 8 8 VAL HG13 H 1 0.949 0.010 . 2 . . . . -1 VAL HG . 18221 1 25 . 1 1 8 8 VAL HG21 H 1 0.949 0.010 . 2 . . . . -1 VAL HG . 18221 1 26 . 1 1 8 8 VAL HG22 H 1 0.949 0.010 . 2 . . . . -1 VAL HG . 18221 1 27 . 1 1 8 8 VAL HG23 H 1 0.949 0.010 . 2 . . . . -1 VAL HG . 18221 1 28 . 1 1 8 8 VAL C C 13 176.077 0.100 . 1 . . . . -1 VAL C . 18221 1 29 . 1 1 8 8 VAL CA C 13 62.656 0.100 . 1 . . . . -1 VAL CA . 18221 1 30 . 1 1 8 8 VAL CB C 13 31.404 0.100 . 1 . . . . -1 VAL CB . 18221 1 31 . 1 1 8 8 VAL N N 15 116.206 0.100 . 1 . . . . -1 VAL N . 18221 1 32 . 1 1 9 9 GLY H H 1 7.854 0.010 . 1 . . . . 0 GLY H . 18221 1 33 . 1 1 9 9 GLY HA2 H 1 3.855 0.010 . 2 . . . . 0 GLY HA2 . 18221 1 34 . 1 1 9 9 GLY HA3 H 1 4.019 0.010 . 2 . . . . 0 GLY HA3 . 18221 1 35 . 1 1 9 9 GLY C C 13 174.594 0.100 . 1 . . . . 0 GLY C . 18221 1 36 . 1 1 9 9 GLY CA C 13 45.655 0.100 . 1 . . . . 0 GLY CA . 18221 1 37 . 1 1 9 9 GLY N N 15 108.732 0.100 . 1 . . . . 0 GLY N . 18221 1 38 . 1 1 10 10 MET H H 1 7.866 0.010 . 1 . . . A 1 MET H . 18221 1 39 . 1 1 10 10 MET C C 13 176.857 0.100 . 1 . . . A 1 MET C . 18221 1 40 . 1 1 10 10 MET CA C 13 55.956 0.100 . 1 . . . A 1 MET CA . 18221 1 41 . 1 1 10 10 MET CB C 13 32.361 0.100 . 1 . . . A 1 MET CB . 18221 1 42 . 1 1 10 10 MET N N 15 119.382 0.100 . 1 . . . A 1 MET N . 18221 1 43 . 1 1 11 11 GLY H H 1 8.271 0.010 . 1 . . . A 2 GLY H . 18221 1 44 . 1 1 11 11 GLY HA2 H 1 3.861 0.010 . 2 . . . A 2 GLY HA2 . 18221 1 45 . 1 1 11 11 GLY HA3 H 1 3.861 0.010 . 2 . . . A 2 GLY HA3 . 18221 1 46 . 1 1 11 11 GLY C C 13 174.543 0.100 . 1 . . . A 2 GLY C . 18221 1 47 . 1 1 11 11 GLY CA C 13 45.695 0.100 . 1 . . . A 2 GLY CA . 18221 1 48 . 1 1 11 11 GLY N N 15 109.366 0.100 . 1 . . . A 2 GLY N . 18221 1 49 . 1 1 12 12 LYS H H 1 8.057 0.010 . 1 . . . A 3 LYS H . 18221 1 50 . 1 1 12 12 LYS HA H 1 4.132 0.010 . 1 . . . A 3 LYS HA . 18221 1 51 . 1 1 12 12 LYS HB2 H 1 1.757 0.010 . 2 . . . A 3 LYS HB2 . 18221 1 52 . 1 1 12 12 LYS HB3 H 1 1.757 0.010 . 2 . . . A 3 LYS HB3 . 18221 1 53 . 1 1 12 12 LYS C C 13 177.234 0.100 . 1 . . . A 3 LYS C . 18221 1 54 . 1 1 12 12 LYS CA C 13 56.812 0.100 . 1 . . . A 3 LYS CA . 18221 1 55 . 1 1 12 12 LYS CB C 13 31.846 0.100 . 1 . . . A 3 LYS CB . 18221 1 56 . 1 1 12 12 LYS CG C 13 23.911 0.100 . 1 . . . A 3 LYS CG . 18221 1 57 . 1 1 12 12 LYS N N 15 121.129 0.100 . 1 . . . A 3 LYS N . 18221 1 58 . 1 1 13 13 GLU H H 1 8.398 0.010 . 1 . . . A 4 GLU H . 18221 1 59 . 1 1 13 13 GLU HA H 1 4.155 0.010 . 1 . . . A 4 GLU HA . 18221 1 60 . 1 1 13 13 GLU HB2 H 1 1.939 0.010 . 2 . . . A 4 GLU HB2 . 18221 1 61 . 1 1 13 13 GLU HB3 H 1 2.059 0.010 . 2 . . . A 4 GLU HB3 . 18221 1 62 . 1 1 13 13 GLU HG2 H 1 2.273 0.010 . 2 . . . A 4 GLU HG2 . 18221 1 63 . 1 1 13 13 GLU HG3 H 1 2.273 0.010 . 2 . . . A 4 GLU HG3 . 18221 1 64 . 1 1 13 13 GLU C C 13 176.857 0.100 . 1 . . . A 4 GLU C . 18221 1 65 . 1 1 13 13 GLU CA C 13 56.871 0.100 . 1 . . . A 4 GLU CA . 18221 1 66 . 1 1 13 13 GLU CB C 13 28.388 0.100 . 1 . . . A 4 GLU CB . 18221 1 67 . 1 1 13 13 GLU CG C 13 34.766 0.100 . 1 . . . A 4 GLU CG . 18221 1 68 . 1 1 13 13 GLU N N 15 120.318 0.100 . 1 . . . A 4 GLU N . 18221 1 69 . 1 1 14 14 SER H H 1 8.089 0.010 . 1 . . . A 5 SER H . 18221 1 70 . 1 1 14 14 SER HA H 1 3.843 0.010 . 1 . . . A 5 SER HA . 18221 1 71 . 1 1 14 14 SER HB2 H 1 4.192 0.010 . 2 . . . A 5 SER HB2 . 18221 1 72 . 1 1 14 14 SER HB3 H 1 4.395 0.010 . 2 . . . A 5 SER HB3 . 18221 1 73 . 1 1 14 14 SER C C 13 175.337 0.100 . 1 . . . A 5 SER C . 18221 1 74 . 1 1 14 14 SER CA C 13 58.524 0.100 . 1 . . . A 5 SER CA . 18221 1 75 . 1 1 14 14 SER CB C 13 63.36 0.100 . 1 . . . A 5 SER CB . 18221 1 76 . 1 1 14 14 SER N N 15 115.504 0.100 . 1 . . . A 5 SER N . 18221 1 77 . 1 1 15 15 GLY H H 1 8.197 0.010 . 1 . . . A 6 GLY H . 18221 1 78 . 1 1 15 15 GLY HA2 H 1 3.898 0.010 . 2 . . . A 6 GLY HA2 . 18221 1 79 . 1 1 15 15 GLY HA3 H 1 3.898 0.010 . 2 . . . A 6 GLY HA3 . 18221 1 80 . 1 1 15 15 GLY C C 13 174.581 0.100 . 1 . . . A 6 GLY C . 18221 1 81 . 1 1 15 15 GLY CA C 13 45.566 0.100 . 1 . . . A 6 GLY CA . 18221 1 82 . 1 1 15 15 GLY N N 15 110.761 0.100 . 1 . . . A 6 GLY N . 18221 1 83 . 1 1 16 16 TRP H H 1 8.184 0.010 . 1 . . . A 7 TRP H . 18221 1 84 . 1 1 16 16 TRP HA H 1 4.56 0.010 . 1 . . . A 7 TRP HA . 18221 1 85 . 1 1 16 16 TRP HB2 H 1 3.19 0.010 . 2 . . . A 7 TRP HB2 . 18221 1 86 . 1 1 16 16 TRP HB3 H 1 3.309 0.010 . 2 . . . A 7 TRP HB3 . 18221 1 87 . 1 1 16 16 TRP HD1 H 1 7.227 0.010 . 1 . . . A 7 TRP HD1 . 18221 1 88 . 1 1 16 16 TRP C C 13 176.92 0.100 . 1 . . . A 7 TRP C . 18221 1 89 . 1 1 16 16 TRP CA C 13 58.081 0.100 . 1 . . . A 7 TRP CA . 18221 1 90 . 1 1 16 16 TRP CB C 13 28.679 0.100 . 1 . . . A 7 TRP CB . 18221 1 91 . 1 1 16 16 TRP N N 15 121.8 0.100 . 1 . . . A 7 TRP N . 18221 1 92 . 1 1 17 17 ASP H H 1 8.332 0.010 . 1 . . . A 8 ASP H . 18221 1 93 . 1 1 17 17 ASP HA H 1 4.395 0.010 . 1 . . . A 8 ASP HA . 18221 1 94 . 1 1 17 17 ASP HB2 H 1 2.647 0.010 . 2 . . . A 8 ASP HB2 . 18221 1 95 . 1 1 17 17 ASP HB3 H 1 2.647 0.010 . 2 . . . A 8 ASP HB3 . 18221 1 96 . 1 1 17 17 ASP C C 13 176.941 0.100 . 1 . . . A 8 ASP C . 18221 1 97 . 1 1 17 17 ASP CA C 13 56.244 0.100 . 1 . . . A 8 ASP CA . 18221 1 98 . 1 1 17 17 ASP CB C 13 39.945 0.100 . 1 . . . A 8 ASP CB . 18221 1 99 . 1 1 17 17 ASP N N 15 121.132 0.100 . 1 . . . A 8 ASP N . 18221 1 100 . 1 1 18 18 SER H H 1 8.129 0.010 . 1 . . . A 9 SER H . 18221 1 101 . 1 1 18 18 SER HA H 1 3.861 0.010 . 1 . . . A 9 SER HA . 18221 1 102 . 1 1 18 18 SER HB2 H 1 4.247 0.010 . 2 . . . A 9 SER HB2 . 18221 1 103 . 1 1 18 18 SER HB3 H 1 4.404 0.010 . 2 . . . A 9 SER HB3 . 18221 1 104 . 1 1 18 18 SER CA C 13 60.081 0.100 . 1 . . . A 9 SER CA . 18221 1 105 . 1 1 18 18 SER CB C 13 62.255 0.100 . 1 . . . A 9 SER CB . 18221 1 106 . 1 1 18 18 SER N N 15 116.148 0.100 . 1 . . . A 9 SER N . 18221 1 107 . 1 1 19 19 GLY H H 1 8.216 0.010 . 1 . . . A 10 GLY H . 18221 1 108 . 1 1 19 19 GLY HA2 H 1 3.627 0.010 . 2 . . . A 10 GLY HA2 . 18221 1 109 . 1 1 19 19 GLY HA3 H 1 3.87 0.010 . 2 . . . A 10 GLY HA3 . 18221 1 110 . 1 1 19 19 GLY C C 13 174.682 0.100 . 1 . . . A 10 GLY C . 18221 1 111 . 1 1 19 19 GLY CA C 13 46.6 0.100 . 1 . . . A 10 GLY CA . 18221 1 112 . 1 1 19 19 GLY N N 15 110.747 0.100 . 1 . . . A 10 GLY N . 18221 1 113 . 1 1 20 20 ARG H H 1 8.158 0.010 . 1 . . . A 11 ARG H . 18221 1 114 . 1 1 20 20 ARG HA H 1 3.857 0.010 . 1 . . . A 11 ARG HA . 18221 1 115 . 1 1 20 20 ARG HB2 H 1 1.792 0.010 . 2 . . . A 11 ARG HB2 . 18221 1 116 . 1 1 20 20 ARG HB3 H 1 1.792 0.010 . 2 . . . A 11 ARG HB3 . 18221 1 117 . 1 1 20 20 ARG C C 13 178.328 0.100 . 1 . . . A 11 ARG C . 18221 1 118 . 1 1 20 20 ARG CA C 13 59.085 0.100 . 1 . . . A 11 ARG CA . 18221 1 119 . 1 1 20 20 ARG CB C 13 29.047 0.100 . 1 . . . A 11 ARG CB . 18221 1 120 . 1 1 20 20 ARG N N 15 121.405 0.100 . 1 . . . A 11 ARG N . 18221 1 121 . 1 1 21 21 ALA H H 1 7.963 0.010 . 1 . . . A 12 ALA H . 18221 1 122 . 1 1 21 21 ALA HA H 1 4.1 0.010 . 1 . . . A 12 ALA HA . 18221 1 123 . 1 1 21 21 ALA HB1 H 1 1.488 0.010 . 1 . . . A 12 ALA HB1 . 18221 1 124 . 1 1 21 21 ALA HB2 H 1 1.488 0.010 . 1 . . . A 12 ALA HB2 . 18221 1 125 . 1 1 21 21 ALA HB3 H 1 1.488 0.010 . 1 . . . A 12 ALA HB3 . 18221 1 126 . 1 1 21 21 ALA C C 13 180.129 0.100 . 1 . . . A 12 ALA C . 18221 1 127 . 1 1 21 21 ALA CA C 13 54.392 0.100 . 1 . . . A 12 ALA CA . 18221 1 128 . 1 1 21 21 ALA CB C 13 17.414 0.100 . 1 . . . A 12 ALA CB . 18221 1 129 . 1 1 21 21 ALA N N 15 122.167 0.100 . 1 . . . A 12 ALA N . 18221 1 130 . 1 1 22 22 ALA H H 1 7.881 0.010 . 1 . . . A 13 ALA H . 18221 1 131 . 1 1 22 22 ALA HA H 1 4.037 0.010 . 1 . . . A 13 ALA HA . 18221 1 132 . 1 1 22 22 ALA HB1 H 1 1.448 0.010 . 1 . . . A 13 ALA HB1 . 18221 1 133 . 1 1 22 22 ALA HB2 H 1 1.448 0.010 . 1 . . . A 13 ALA HB2 . 18221 1 134 . 1 1 22 22 ALA HB3 H 1 1.448 0.010 . 1 . . . A 13 ALA HB3 . 18221 1 135 . 1 1 22 22 ALA C C 13 179.095 0.100 . 1 . . . A 13 ALA C . 18221 1 136 . 1 1 22 22 ALA CA C 13 54.716 0.100 . 1 . . . A 13 ALA CA . 18221 1 137 . 1 1 22 22 ALA CB C 13 17.561 0.100 . 1 . . . A 13 ALA CB . 18221 1 138 . 1 1 22 22 ALA N N 15 122.15 0.100 . 1 . . . A 13 ALA N . 18221 1 139 . 1 1 23 23 VAL H H 1 7.888 0.010 . 1 . . . A 14 VAL H . 18221 1 140 . 1 1 23 23 VAL HA H 1 3.48 0.010 . 1 . . . A 14 VAL HA . 18221 1 141 . 1 1 23 23 VAL HB H 1 2.123 0.010 . 1 . . . A 14 VAL HB . 18221 1 142 . 1 1 23 23 VAL HG11 H 1 0.909 0.010 . 2 . . . A 14 VAL HG11 . 18221 1 143 . 1 1 23 23 VAL HG12 H 1 0.909 0.010 . 2 . . . A 14 VAL HG12 . 18221 1 144 . 1 1 23 23 VAL HG13 H 1 0.909 0.010 . 2 . . . A 14 VAL HG13 . 18221 1 145 . 1 1 23 23 VAL HG21 H 1 1.038 0.010 . 2 . . . A 14 VAL HG21 . 18221 1 146 . 1 1 23 23 VAL HG22 H 1 1.038 0.010 . 2 . . . A 14 VAL HG22 . 18221 1 147 . 1 1 23 23 VAL HG23 H 1 1.038 0.010 . 2 . . . A 14 VAL HG23 . 18221 1 148 . 1 1 23 23 VAL C C 13 177.586 0.100 . 1 . . . A 14 VAL C . 18221 1 149 . 1 1 23 23 VAL CA C 13 66.198 0.100 . 1 . . . A 14 VAL CA . 18221 1 150 . 1 1 23 23 VAL CB C 13 30.52 0.100 . 1 . . . A 14 VAL CB . 18221 1 151 . 1 1 23 23 VAL CG1 C 13 20.996 0.100 . 2 . . . A 14 VAL CG1 . 18221 1 152 . 1 1 23 23 VAL CG2 C 13 22.425 0.100 . 2 . . . A 14 VAL CG2 . 18221 1 153 . 1 1 23 23 VAL N N 15 117.107 0.100 . 1 . . . A 14 VAL N . 18221 1 154 . 1 1 24 24 ALA H H 1 8.037 0.010 . 1 . . . A 15 ALA H . 18221 1 155 . 1 1 24 24 ALA HA H 1 3.981 0.010 . 1 . . . A 15 ALA HA . 18221 1 156 . 1 1 24 24 ALA HB1 H 1 1.452 0.010 . 1 . . . A 15 ALA HB1 . 18221 1 157 . 1 1 24 24 ALA HB2 H 1 1.452 0.010 . 1 . . . A 15 ALA HB2 . 18221 1 158 . 1 1 24 24 ALA HB3 H 1 1.452 0.010 . 1 . . . A 15 ALA HB3 . 18221 1 159 . 1 1 24 24 ALA C C 13 180.373 0.100 . 1 . . . A 15 ALA C . 18221 1 160 . 1 1 24 24 ALA CA C 13 55.011 0.100 . 1 . . . A 15 ALA CA . 18221 1 161 . 1 1 24 24 ALA CB C 13 17.252 0.100 . 1 . . . A 15 ALA CB . 18221 1 162 . 1 1 24 24 ALA N N 15 121.333 0.100 . 1 . . . A 15 ALA N . 18221 1 163 . 1 1 25 25 ALA H H 1 7.819 0.010 . 1 . . . A 16 ALA H . 18221 1 164 . 1 1 25 25 ALA HA H 1 4.146 0.010 . 1 . . . A 16 ALA HA . 18221 1 165 . 1 1 25 25 ALA HB1 H 1 1.488 0.010 . 1 . . . A 16 ALA HB1 . 18221 1 166 . 1 1 25 25 ALA HB2 H 1 1.488 0.010 . 1 . . . A 16 ALA HB2 . 18221 1 167 . 1 1 25 25 ALA HB3 H 1 1.488 0.010 . 1 . . . A 16 ALA HB3 . 18221 1 168 . 1 1 25 25 ALA C C 13 179.828 0.100 . 1 . . . A 16 ALA C . 18221 1 169 . 1 1 25 25 ALA CA C 13 54.451 0.100 . 1 . . . A 16 ALA CA . 18221 1 170 . 1 1 25 25 ALA CB C 13 17.487 0.100 . 1 . . . A 16 ALA CB . 18221 1 171 . 1 1 25 25 ALA N N 15 121.158 0.100 . 1 . . . A 16 ALA N . 18221 1 172 . 1 1 26 26 VAL H H 1 7.848 0.010 . 1 . . . A 17 VAL H . 18221 1 173 . 1 1 26 26 VAL HA H 1 3.778 0.010 . 1 . . . A 17 VAL HA . 18221 1 174 . 1 1 26 26 VAL HB H 1 2.235 0.010 . 1 . . . A 17 VAL HB . 18221 1 175 . 1 1 26 26 VAL HG11 H 1 1.041 0.010 . 2 . . . A 17 VAL HG11 . 18221 1 176 . 1 1 26 26 VAL HG12 H 1 1.041 0.010 . 2 . . . A 17 VAL HG12 . 18221 1 177 . 1 1 26 26 VAL HG13 H 1 1.041 0.010 . 2 . . . A 17 VAL HG13 . 18221 1 178 . 1 1 26 26 VAL HG21 H 1 1.041 0.010 . 2 . . . A 17 VAL HG21 . 18221 1 179 . 1 1 26 26 VAL HG22 H 1 1.041 0.010 . 2 . . . A 17 VAL HG22 . 18221 1 180 . 1 1 26 26 VAL HG23 H 1 1.041 0.010 . 2 . . . A 17 VAL HG23 . 18221 1 181 . 1 1 26 26 VAL C C 13 178.02 0.100 . 1 . . . A 17 VAL C . 18221 1 182 . 1 1 26 26 VAL CA C 13 65.578 0.100 . 1 . . . A 17 VAL CA . 18221 1 183 . 1 1 26 26 VAL CB C 13 31.085 0.100 . 1 . . . A 17 VAL CB . 18221 1 184 . 1 1 26 26 VAL N N 15 118.417 0.100 . 1 . . . A 17 VAL N . 18221 1 185 . 1 1 27 27 VAL H H 1 8.377 0.010 . 1 . . . A 18 VAL H . 18221 1 186 . 1 1 27 27 VAL C C 13 177.719 0.100 . 1 . . . A 18 VAL C . 18221 1 187 . 1 1 27 27 VAL CA C 13 65.991 0.100 . 1 . . . A 18 VAL CA . 18221 1 188 . 1 1 27 27 VAL CB C 13 30.187 0.100 . 1 . . . A 18 VAL CB . 18221 1 189 . 1 1 27 27 VAL CG1 C 13 21.286 0.100 . 2 . . . A 18 VAL CG1 . 18221 1 190 . 1 1 27 27 VAL CG2 C 13 22.323 0.100 . 2 . . . A 18 VAL CG2 . 18221 1 191 . 1 1 27 27 VAL N N 15 119.24 0.100 . 1 . . . A 18 VAL N . 18221 1 192 . 1 1 28 28 GLY H H 1 8.122 0.010 . 1 . . . A 19 GLY H . 18221 1 193 . 1 1 28 28 GLY HA2 H 1 3.886 0.010 . 2 . . . A 19 GLY HA2 . 18221 1 194 . 1 1 28 28 GLY HA3 H 1 3.886 0.010 . 2 . . . A 19 GLY HA3 . 18221 1 195 . 1 1 28 28 GLY C C 13 176.212 0.100 . 1 . . . A 19 GLY C . 18221 1 196 . 1 1 28 28 GLY CA C 13 46.244 0.100 . 1 . . . A 19 GLY CA . 18221 1 197 . 1 1 28 28 GLY N N 15 106.009 0.100 . 1 . . . A 19 GLY N . 18221 1 198 . 1 1 29 29 GLY H H 1 8.039 0.010 . 1 . . . A 20 GLY H . 18221 1 199 . 1 1 29 29 GLY HA2 H 1 3.765 0.010 . 2 . . . A 20 GLY HA2 . 18221 1 200 . 1 1 29 29 GLY HA3 H 1 4.007 0.010 . 2 . . . A 20 GLY HA3 . 18221 1 201 . 1 1 29 29 GLY C C 13 174.097 0.100 . 1 . . . A 20 GLY C . 18221 1 202 . 1 1 29 29 GLY CA C 13 46.334 0.100 . 1 . . . A 20 GLY CA . 18221 1 203 . 1 1 29 29 GLY N N 15 110.216 0.100 . 1 . . . A 20 GLY N . 18221 1 204 . 1 1 30 30 VAL H H 1 7.983 0.010 . 1 . . . A 21 VAL H . 18221 1 205 . 1 1 30 30 VAL C C 13 177.073 0.100 . 1 . . . A 21 VAL C . 18221 1 206 . 1 1 30 30 VAL CA C 13 62.574 0.100 . 1 . . . A 21 VAL CA . 18221 1 207 . 1 1 30 30 VAL CB C 13 30.79 0.100 . 1 . . . A 21 VAL CB . 18221 1 208 . 1 1 30 30 VAL N N 15 121.188 0.100 . 1 . . . A 21 VAL N . 18221 1 209 . 1 1 32 32 ALA H H 1 8.036 0.010 . 1 . . . A 23 ALA H . 18221 1 210 . 1 1 32 32 ALA HA H 1 4.26 0.010 . 1 . . . A 23 ALA HA . 18221 1 211 . 1 1 32 32 ALA HB1 H 1 1.499 0.010 . 1 . . . A 23 ALA HB1 . 18221 1 212 . 1 1 32 32 ALA HB2 H 1 1.499 0.010 . 1 . . . A 23 ALA HB2 . 18221 1 213 . 1 1 32 32 ALA HB3 H 1 1.499 0.010 . 1 . . . A 23 ALA HB3 . 18221 1 214 . 1 1 32 32 ALA C C 13 179.523 0.100 . 1 . . . A 23 ALA C . 18221 1 215 . 1 1 32 32 ALA CA C 13 53.683 0.100 . 1 . . . A 23 ALA CA . 18221 1 216 . 1 1 32 32 ALA CB C 13 16.383 0.100 . 1 . . . A 23 ALA CB . 18221 1 217 . 1 1 32 32 ALA N N 15 125.091 0.100 . 1 . . . A 23 ALA N . 18221 1 218 . 1 1 33 33 VAL H H 1 8.195 0.010 . 1 . . . A 24 VAL H . 18221 1 219 . 1 1 33 33 VAL HA H 1 3.708 0.010 . 1 . . . A 24 VAL HA . 18221 1 220 . 1 1 33 33 VAL HB H 1 2.201 0.010 . 1 . . . A 24 VAL HB . 18221 1 221 . 1 1 33 33 VAL HG11 H 1 0.925 0.010 . 2 . . . A 24 VAL HG11 . 18221 1 222 . 1 1 33 33 VAL HG12 H 1 0.925 0.010 . 2 . . . A 24 VAL HG12 . 18221 1 223 . 1 1 33 33 VAL HG13 H 1 0.925 0.010 . 2 . . . A 24 VAL HG13 . 18221 1 224 . 1 1 33 33 VAL HG21 H 1 1.058 0.010 . 2 . . . A 24 VAL HG21 . 18221 1 225 . 1 1 33 33 VAL HG22 H 1 1.058 0.010 . 2 . . . A 24 VAL HG22 . 18221 1 226 . 1 1 33 33 VAL HG23 H 1 1.058 0.010 . 2 . . . A 24 VAL HG23 . 18221 1 227 . 1 1 33 33 VAL C C 13 177.901 0.100 . 1 . . . A 24 VAL C . 18221 1 228 . 1 1 33 33 VAL CA C 13 65.43 0.100 . 1 . . . A 24 VAL CA . 18221 1 229 . 1 1 33 33 VAL CB C 13 31.318 0.100 . 1 . . . A 24 VAL CB . 18221 1 230 . 1 1 33 33 VAL CG1 C 13 20.912 0.100 . 2 . . . A 24 VAL CG1 . 18221 1 231 . 1 1 33 33 VAL CG2 C 13 22.013 0.100 . 2 . . . A 24 VAL CG2 . 18221 1 232 . 1 1 33 33 VAL N N 15 118.793 0.100 . 1 . . . A 24 VAL N . 18221 1 233 . 1 1 34 34 GLY H H 1 8.651 0.010 . 1 . . . A 25 GLY H . 18221 1 234 . 1 1 34 34 GLY HA2 H 1 3.706 0.010 . 2 . . . A 25 GLY HA2 . 18221 1 235 . 1 1 34 34 GLY HA3 H 1 3.901 0.010 . 2 . . . A 25 GLY HA3 . 18221 1 236 . 1 1 34 34 GLY C C 13 175.424 0.100 . 1 . . . A 25 GLY C . 18221 1 237 . 1 1 34 34 GLY CA C 13 47.334 0.100 . 1 . . . A 25 GLY CA . 18221 1 238 . 1 1 34 34 GLY N N 15 108.367 0.100 . 1 . . . A 25 GLY N . 18221 1 239 . 1 1 35 35 THR H H 1 7.975 0.010 . 1 . . . A 26 THR H . 18221 1 240 . 1 1 35 35 THR C C 13 176.843 0.100 . 1 . . . A 26 THR C . 18221 1 241 . 1 1 35 35 THR CA C 13 65.962 0.100 . 1 . . . A 26 THR CA . 18221 1 242 . 1 1 35 35 THR CB C 13 68.414 0.100 . 1 . . . A 26 THR CB . 18221 1 243 . 1 1 35 35 THR N N 15 116.448 0.100 . 1 . . . A 26 THR N . 18221 1 244 . 1 1 36 36 VAL H H 1 7.559 0.010 . 1 . . . A 27 VAL H . 18221 1 245 . 1 1 36 36 VAL HA H 1 3.719 0.010 . 1 . . . A 27 VAL HA . 18221 1 246 . 1 1 36 36 VAL HB H 1 2.294 0.010 . 1 . . . A 27 VAL HB . 18221 1 247 . 1 1 36 36 VAL HG11 H 1 0.934 0.010 . 2 . . . A 27 VAL HG11 . 18221 1 248 . 1 1 36 36 VAL HG12 H 1 0.934 0.010 . 2 . . . A 27 VAL HG12 . 18221 1 249 . 1 1 36 36 VAL HG13 H 1 0.934 0.010 . 2 . . . A 27 VAL HG13 . 18221 1 250 . 1 1 36 36 VAL HG21 H 1 1.064 0.010 . 2 . . . A 27 VAL HG21 . 18221 1 251 . 1 1 36 36 VAL HG22 H 1 1.064 0.010 . 2 . . . A 27 VAL HG22 . 18221 1 252 . 1 1 36 36 VAL HG23 H 1 1.064 0.010 . 2 . . . A 27 VAL HG23 . 18221 1 253 . 1 1 36 36 VAL C C 13 177.618 0.100 . 1 . . . A 27 VAL C . 18221 1 254 . 1 1 36 36 VAL CA C 13 65.726 0.100 . 1 . . . A 27 VAL CA . 18221 1 255 . 1 1 36 36 VAL CB C 13 30.667 0.100 . 1 . . . A 27 VAL CB . 18221 1 256 . 1 1 36 36 VAL CG1 C 13 21.202 0.100 . 2 . . . A 27 VAL CG1 . 18221 1 257 . 1 1 36 36 VAL CG2 C 13 22.183 0.100 . 2 . . . A 27 VAL CG2 . 18221 1 258 . 1 1 36 36 VAL N N 15 122.81 0.100 . 1 . . . A 27 VAL N . 18221 1 259 . 1 1 37 37 LEU H H 1 8.086 0.010 . 1 . . . A 28 LEU H . 18221 1 260 . 1 1 37 37 LEU HA H 1 3.953 0.010 . 1 . . . A 28 LEU HA . 18221 1 261 . 1 1 37 37 LEU HB2 H 1 1.902 0.010 . 2 . . . A 28 LEU HB2 . 18221 1 262 . 1 1 37 37 LEU HB3 H 1 1.902 0.010 . 2 . . . A 28 LEU HB3 . 18221 1 263 . 1 1 37 37 LEU C C 13 179.666 0.100 . 1 . . . A 28 LEU C . 18221 1 264 . 1 1 37 37 LEU CA C 13 57.845 0.100 . 1 . . . A 28 LEU CA . 18221 1 265 . 1 1 37 37 LEU CB C 13 40.166 0.100 . 1 . . . A 28 LEU CB . 18221 1 266 . 1 1 37 37 LEU CG C 13 25.765 0.100 . 1 . . . A 28 LEU CG . 18221 1 267 . 1 1 37 37 LEU N N 15 119.566 0.100 . 1 . . . A 28 LEU N . 18221 1 268 . 1 1 38 38 VAL H H 1 8.066 0.010 . 1 . . . A 29 VAL H . 18221 1 269 . 1 1 38 38 VAL HA H 1 3.653 0.010 . 1 . . . A 29 VAL HA . 18221 1 270 . 1 1 38 38 VAL HB H 1 2.144 0.010 . 1 . . . A 29 VAL HB . 18221 1 271 . 1 1 38 38 VAL HG21 H 1 1.044 0.010 . 2 . . . A 29 VAL HG21 . 18221 1 272 . 1 1 38 38 VAL HG22 H 1 1.044 0.010 . 2 . . . A 29 VAL HG22 . 18221 1 273 . 1 1 38 38 VAL HG23 H 1 1.044 0.010 . 2 . . . A 29 VAL HG23 . 18221 1 274 . 1 1 38 38 VAL C C 13 178.639 0.100 . 1 . . . A 29 VAL C . 18221 1 275 . 1 1 38 38 VAL CA C 13 65.473 0.100 . 1 . . . A 29 VAL CA . 18221 1 276 . 1 1 38 38 VAL CB C 13 30.609 0.100 . 1 . . . A 29 VAL CB . 18221 1 277 . 1 1 38 38 VAL CG1 C 13 20.598 0.100 . 2 . . . A 29 VAL CG1 . 18221 1 278 . 1 1 38 38 VAL CG2 C 13 22.15 0.100 . 2 . . . A 29 VAL CG2 . 18221 1 279 . 1 1 38 38 VAL N N 15 119.468 0.100 . 1 . . . A 29 VAL N . 18221 1 280 . 1 1 39 39 ALA H H 1 7.688 0.010 . 1 . . . A 30 ALA H . 18221 1 281 . 1 1 39 39 ALA HA H 1 4.165 0.010 . 1 . . . A 30 ALA HA . 18221 1 282 . 1 1 39 39 ALA HB1 H 1 1.507 0.010 . 1 . . . A 30 ALA HB1 . 18221 1 283 . 1 1 39 39 ALA HB2 H 1 1.507 0.010 . 1 . . . A 30 ALA HB2 . 18221 1 284 . 1 1 39 39 ALA HB3 H 1 1.507 0.010 . 1 . . . A 30 ALA HB3 . 18221 1 285 . 1 1 39 39 ALA C C 13 180.303 0.100 . 1 . . . A 30 ALA C . 18221 1 286 . 1 1 39 39 ALA CA C 13 54.834 0.100 . 1 . . . A 30 ALA CA . 18221 1 287 . 1 1 39 39 ALA CB C 13 17.708 0.100 . 1 . . . A 30 ALA CB . 18221 1 288 . 1 1 39 39 ALA N N 15 124.255 0.100 . 1 . . . A 30 ALA N . 18221 1 289 . 1 1 40 40 LEU H H 1 8.326 0.010 . 1 . . . A 31 LEU H . 18221 1 290 . 1 1 40 40 LEU HA H 1 4.141 0.010 . 1 . . . A 31 LEU HA . 18221 1 291 . 1 1 40 40 LEU HB2 H 1 1.902 0.010 . 2 . . . A 31 LEU HB2 . 18221 1 292 . 1 1 40 40 LEU HB3 H 1 1.902 0.010 . 2 . . . A 31 LEU HB3 . 18221 1 293 . 1 1 40 40 LEU HD11 H 1 0.828 0.010 . 2 . . . A 31 LEU HD11 . 18221 1 294 . 1 1 40 40 LEU HD12 H 1 0.828 0.010 . 2 . . . A 31 LEU HD12 . 18221 1 295 . 1 1 40 40 LEU HD13 H 1 0.828 0.010 . 2 . . . A 31 LEU HD13 . 18221 1 296 . 1 1 40 40 LEU HD21 H 1 0.828 0.010 . 2 . . . A 31 LEU HD21 . 18221 1 297 . 1 1 40 40 LEU HD22 H 1 0.828 0.010 . 2 . . . A 31 LEU HD22 . 18221 1 298 . 1 1 40 40 LEU HD23 H 1 0.828 0.010 . 2 . . . A 31 LEU HD23 . 18221 1 299 . 1 1 40 40 LEU C C 13 179.271 0.100 . 1 . . . A 31 LEU C . 18221 1 300 . 1 1 40 40 LEU CA C 13 57.078 0.100 . 1 . . . A 31 LEU CA . 18221 1 301 . 1 1 40 40 LEU CB C 13 40.902 0.100 . 1 . . . A 31 LEU CB . 18221 1 302 . 1 1 40 40 LEU CG C 13 25.656 0.100 . 1 . . . A 31 LEU CG . 18221 1 303 . 1 1 40 40 LEU CD1 C 13 22.980 0.100 . 2 . . . A 31 LEU CD1 . 18221 1 304 . 1 1 40 40 LEU CD2 C 13 21.881 0.100 . 2 . . . A 31 LEU CD2 . 18221 1 305 . 1 1 40 40 LEU N N 15 118.268 0.100 . 1 . . . A 31 LEU N . 18221 1 306 . 1 1 41 41 SER H H 1 8.062 0.010 . 1 . . . A 32 SER H . 18221 1 307 . 1 1 41 41 SER HA H 1 3.952 0.010 . 1 . . . A 32 SER HA . 18221 1 308 . 1 1 41 41 SER HB2 H 1 4.128 0.010 . 2 . . . A 32 SER HB2 . 18221 1 309 . 1 1 41 41 SER HB3 H 1 4.128 0.010 . 2 . . . A 32 SER HB3 . 18221 1 310 . 1 1 41 41 SER C C 13 176.284 0.100 . 1 . . . A 32 SER C . 18221 1 311 . 1 1 41 41 SER CA C 13 60.885 0.100 . 1 . . . A 32 SER CA . 18221 1 312 . 1 1 41 41 SER CB C 13 62.41 0.100 . 1 . . . A 32 SER CB . 18221 1 313 . 1 1 41 41 SER N N 15 114.984 0.100 . 1 . . . A 32 SER N . 18221 1 314 . 1 1 42 42 ALA H H 1 7.813 0.010 . 1 . . . A 33 ALA H . 18221 1 315 . 1 1 42 42 ALA HA H 1 4.225 0.010 . 1 . . . A 33 ALA HA . 18221 1 316 . 1 1 42 42 ALA HB1 H 1 1.489 0.010 . 1 . . . A 33 ALA HB1 . 18221 1 317 . 1 1 42 42 ALA HB2 H 1 1.489 0.010 . 1 . . . A 33 ALA HB2 . 18221 1 318 . 1 1 42 42 ALA HB3 H 1 1.489 0.010 . 1 . . . A 33 ALA HB3 . 18221 1 319 . 1 1 42 42 ALA C C 13 179.033 0.100 . 1 . . . A 33 ALA C . 18221 1 320 . 1 1 42 42 ALA CA C 13 53.713 0.100 . 1 . . . A 33 ALA CA . 18221 1 321 . 1 1 42 42 ALA CB C 13 17.929 0.100 . 1 . . . A 33 ALA CB . 18221 1 322 . 1 1 42 42 ALA N N 15 124.588 0.100 . 1 . . . A 33 ALA N . 18221 1 323 . 1 1 43 43 MET H H 1 7.691 0.010 . 1 . . . A 34 MET H . 18221 1 324 . 1 1 43 43 MET HA H 1 4.285 0.010 . 1 . . . A 34 MET HA . 18221 1 325 . 1 1 43 43 MET HB2 H 1 2.107 0.010 . 2 . . . A 34 MET HB2 . 18221 1 326 . 1 1 43 43 MET HB3 H 1 2.107 0.010 . 2 . . . A 34 MET HB3 . 18221 1 327 . 1 1 43 43 MET HG2 H 1 2.578 0.010 . 2 . . . A 34 MET HG2 . 18221 1 328 . 1 1 43 43 MET HG3 H 1 2.706 0.010 . 2 . . . A 34 MET HG3 . 18221 1 329 . 1 1 43 43 MET C C 13 176.807 0.100 . 1 . . . A 34 MET C . 18221 1 330 . 1 1 43 43 MET CA C 13 56.576 0.100 . 1 . . . A 34 MET CA . 18221 1 331 . 1 1 43 43 MET CB C 13 32.435 0.100 . 1 . . . A 34 MET CB . 18221 1 332 . 1 1 43 43 MET CG C 13 32.903 0.100 . 1 . . . A 34 MET CG . 18221 1 333 . 1 1 43 43 MET CE C 13 16.974 0.100 . 1 . . . A 34 MET CE . 18221 1 334 . 1 1 43 43 MET N N 15 116.808 0.100 . 1 . . . A 34 MET N . 18221 1 335 . 1 1 44 44 GLY H H 1 7.793 0.010 . 1 . . . A 35 GLY H . 18221 1 336 . 1 1 44 44 GLY HA2 H 1 3.795 0.010 . 2 . . . A 35 GLY HA2 . 18221 1 337 . 1 1 44 44 GLY HA3 H 1 4.089 0.010 . 2 . . . A 35 GLY HA3 . 18221 1 338 . 1 1 44 44 GLY C C 13 174.493 0.100 . 1 . . . A 35 GLY C . 18221 1 339 . 1 1 44 44 GLY CA C 13 45.065 0.100 . 1 . . . A 35 GLY CA . 18221 1 340 . 1 1 44 44 GLY N N 15 107.02 0.100 . 1 . . . A 35 GLY N . 18221 1 341 . 1 1 45 45 PHE H H 1 8.215 0.010 . 1 . . . A 36 PHE H . 18221 1 342 . 1 1 45 45 PHE HA H 1 4.507 0.010 . 1 . . . A 36 PHE HA . 18221 1 343 . 1 1 45 45 PHE HB2 H 1 3.016 0.010 . 2 . . . A 36 PHE HB2 . 18221 1 344 . 1 1 45 45 PHE HB3 H 1 3.111 0.010 . 2 . . . A 36 PHE HB3 . 18221 1 345 . 1 1 45 45 PHE C C 13 176.876 0.100 . 1 . . . A 36 PHE C . 18221 1 346 . 1 1 45 45 PHE CA C 13 58.937 0.100 . 1 . . . A 36 PHE CA . 18221 1 347 . 1 1 45 45 PHE CB C 13 38.178 0.100 . 1 . . . A 36 PHE CB . 18221 1 348 . 1 1 45 45 PHE N N 15 120.285 0.100 . 1 . . . A 36 PHE N . 18221 1 349 . 1 1 46 46 THR H H 1 8.111 0.010 . 1 . . . A 37 THR H . 18221 1 350 . 1 1 46 46 THR HA H 1 4.08 0.010 . 1 . . . A 37 THR HA . 18221 1 351 . 1 1 46 46 THR HB H 1 4.289 0.010 . 1 . . . A 37 THR HB . 18221 1 352 . 1 1 46 46 THR HG21 H 1 1.23 0.010 . 1 . . . A 37 THR HG21 . 18221 1 353 . 1 1 46 46 THR HG22 H 1 1.23 0.010 . 1 . . . A 37 THR HG22 . 18221 1 354 . 1 1 46 46 THR HG23 H 1 1.23 0.010 . 1 . . . A 37 THR HG23 . 18221 1 355 . 1 1 46 46 THR C C 13 175.751 0.100 . 1 . . . A 37 THR C . 18221 1 356 . 1 1 46 46 THR CA C 13 64.22 0.100 . 1 . . . A 37 THR CA . 18221 1 357 . 1 1 46 46 THR CB C 13 68.514 0.100 . 1 . . . A 37 THR CB . 18221 1 358 . 1 1 46 46 THR CG2 C 13 21.126 0.100 . 1 . . . A 37 THR CG2 . 18221 1 359 . 1 1 46 46 THR N N 15 114.008 0.100 . 1 . . . A 37 THR N . 18221 1 360 . 1 1 47 47 SER H H 1 8.079 0.010 . 1 . . . A 38 SER H . 18221 1 361 . 1 1 47 47 SER HA H 1 3.918 0.010 . 1 . . . A 38 SER HA . 18221 1 362 . 1 1 47 47 SER HB2 H 1 4.298 0.010 . 2 . . . A 38 SER HB2 . 18221 1 363 . 1 1 47 47 SER HB3 H 1 4.298 0.010 . 2 . . . A 38 SER HB3 . 18221 1 364 . 1 1 47 47 SER C C 13 176.744 0.100 . 1 . . . A 38 SER C . 18221 1 365 . 1 1 47 47 SER CA C 13 59.911 0.100 . 1 . . . A 38 SER CA . 18221 1 366 . 1 1 47 47 SER CB C 13 62.624 0.100 . 1 . . . A 38 SER CB . 18221 1 367 . 1 1 47 47 SER N N 15 116.646 0.100 . 1 . . . A 38 SER N . 18221 1 368 . 1 1 48 48 VAL H H 1 7.985 0.010 . 1 . . . A 39 VAL H . 18221 1 369 . 1 1 48 48 VAL HA H 1 3.909 0.010 . 1 . . . A 39 VAL HA . 18221 1 370 . 1 1 48 48 VAL HB H 1 2.152 0.010 . 1 . . . A 39 VAL HB . 18221 1 371 . 1 1 48 48 VAL HG11 H 1 1.022 0.010 . 2 . . . A 39 VAL HG11 . 18221 1 372 . 1 1 48 48 VAL HG12 H 1 1.022 0.010 . 2 . . . A 39 VAL HG12 . 18221 1 373 . 1 1 48 48 VAL HG13 H 1 1.022 0.010 . 2 . . . A 39 VAL HG13 . 18221 1 374 . 1 1 48 48 VAL HG21 H 1 1.022 0.010 . 2 . . . A 39 VAL HG21 . 18221 1 375 . 1 1 48 48 VAL HG22 H 1 1.022 0.010 . 2 . . . A 39 VAL HG22 . 18221 1 376 . 1 1 48 48 VAL HG23 H 1 1.022 0.010 . 2 . . . A 39 VAL HG23 . 18221 1 377 . 1 1 48 48 VAL C C 13 177.033 0.100 . 1 . . . A 39 VAL C . 18221 1 378 . 1 1 48 48 VAL CA C 13 64.988 0.100 . 1 . . . A 39 VAL CA . 18221 1 379 . 1 1 48 48 VAL CB C 13 30.667 0.100 . 1 . . . A 39 VAL CB . 18221 1 380 . 1 1 48 48 VAL CG1 C 13 20.975 0.100 . 2 . . . A 39 VAL CG1 . 18221 1 381 . 1 1 48 48 VAL CG2 C 13 21.956 0.100 . 2 . . . A 39 VAL CG2 . 18221 1 382 . 1 1 48 48 VAL N N 15 121.929 0.100 . 1 . . . A 39 VAL N . 18221 1 383 . 1 1 49 49 GLY H H 1 8.267 0.010 . 1 . . . A 40 GLY H . 18221 1 384 . 1 1 49 49 GLY HA2 H 1 3.738 0.010 . 2 . . . A 40 GLY HA2 . 18221 1 385 . 1 1 49 49 GLY HA3 H 1 3.909 0.010 . 2 . . . A 40 GLY HA3 . 18221 1 386 . 1 1 49 49 GLY C C 13 176.038 0.100 . 1 . . . A 40 GLY C . 18221 1 387 . 1 1 49 49 GLY CA C 13 46.865 0.100 . 1 . . . A 40 GLY CA . 18221 1 388 . 1 1 49 49 GLY N N 15 108.633 0.100 . 1 . . . A 40 GLY N . 18221 1 389 . 1 1 50 50 ILE H H 1 7.865 0.010 . 1 . . . A 41 ILE H . 18221 1 390 . 1 1 50 50 ILE HA H 1 3.871 0.010 . 1 . . . A 41 ILE HA . 18221 1 391 . 1 1 50 50 ILE HB H 1 1.848 0.010 . 1 . . . A 41 ILE HB . 18221 1 392 . 1 1 50 50 ILE HD11 H 1 0.908 0.010 . 1 . . . A 41 ILE HD11 . 18221 1 393 . 1 1 50 50 ILE HD12 H 1 0.908 0.010 . 1 . . . A 41 ILE HD12 . 18221 1 394 . 1 1 50 50 ILE HD13 H 1 0.908 0.010 . 1 . . . A 41 ILE HD13 . 18221 1 395 . 1 1 50 50 ILE C C 13 178.363 0.100 . 1 . . . A 41 ILE C . 18221 1 396 . 1 1 50 50 ILE CA C 13 63.515 0.100 . 1 . . . A 41 ILE CA . 18221 1 397 . 1 1 50 50 ILE CB C 13 37.238 0.100 . 1 . . . A 41 ILE CB . 18221 1 398 . 1 1 50 50 ILE CG1 C 13 27.77 0.100 . 1 . . . A 41 ILE CG1 . 18221 1 399 . 1 1 50 50 ILE CG2 C 13 16.294 0.100 . 1 . . . A 41 ILE CG2 . 18221 1 400 . 1 1 50 50 ILE CD1 C 13 12.217 0.100 . 1 . . . A 41 ILE CD1 . 18221 1 401 . 1 1 50 50 ILE N N 15 122.466 0.100 . 1 . . . A 41 ILE N . 18221 1 402 . 1 1 51 51 ALA H H 1 7.93 0.010 . 1 . . . A 42 ALA H . 18221 1 403 . 1 1 51 51 ALA HA H 1 4.099 0.010 . 1 . . . A 42 ALA HA . 18221 1 404 . 1 1 51 51 ALA HB1 H 1 1.439 0.010 . 1 . . . A 42 ALA HB1 . 18221 1 405 . 1 1 51 51 ALA HB2 H 1 1.439 0.010 . 1 . . . A 42 ALA HB2 . 18221 1 406 . 1 1 51 51 ALA HB3 H 1 1.439 0.010 . 1 . . . A 42 ALA HB3 . 18221 1 407 . 1 1 51 51 ALA C C 13 179.385 0.100 . 1 . . . A 42 ALA C . 18221 1 408 . 1 1 51 51 ALA CA C 13 54.48 0.100 . 1 . . . A 42 ALA CA . 18221 1 409 . 1 1 51 51 ALA CB C 13 17.487 0.100 . 1 . . . A 42 ALA CB . 18221 1 410 . 1 1 51 51 ALA N N 15 125.064 0.100 . 1 . . . A 42 ALA N . 18221 1 411 . 1 1 52 52 ALA H H 1 8.639 0.010 . 1 . . . A 43 ALA H . 18221 1 412 . 1 1 52 52 ALA HA H 1 3.937 0.010 . 1 . . . A 43 ALA HA . 18221 1 413 . 1 1 52 52 ALA HB1 H 1 1.439 0.010 . 1 . . . A 43 ALA HB1 . 18221 1 414 . 1 1 52 52 ALA HB2 H 1 1.439 0.010 . 1 . . . A 43 ALA HB2 . 18221 1 415 . 1 1 52 52 ALA HB3 H 1 1.439 0.010 . 1 . . . A 43 ALA HB3 . 18221 1 416 . 1 1 52 52 ALA C C 13 179.088 0.100 . 1 . . . A 43 ALA C . 18221 1 417 . 1 1 52 52 ALA CA C 13 55.1 0.100 . 1 . . . A 43 ALA CA . 18221 1 418 . 1 1 52 52 ALA CB C 13 17.635 0.100 . 1 . . . A 43 ALA CB . 18221 1 419 . 1 1 52 52 ALA N N 15 120.594 0.100 . 1 . . . A 43 ALA N . 18221 1 420 . 1 1 53 53 SER H H 1 8.193 0.010 . 1 . . . A 44 SER H . 18221 1 421 . 1 1 53 53 SER HA H 1 3.966 0.010 . 1 . . . A 44 SER HA . 18221 1 422 . 1 1 53 53 SER HB2 H 1 4.07 0.010 . 2 . . . A 44 SER HB2 . 18221 1 423 . 1 1 53 53 SER HB3 H 1 4.07 0.010 . 2 . . . A 44 SER HB3 . 18221 1 424 . 1 1 53 53 SER C C 13 176.898 0.100 . 1 . . . A 44 SER C . 18221 1 425 . 1 1 53 53 SER CA C 13 61.139 0.100 . 1 . . . A 44 SER CA . 18221 1 426 . 1 1 53 53 SER CB C 13 62.347 0.100 . 1 . . . A 44 SER CB . 18221 1 427 . 1 1 53 53 SER N N 15 113.012 0.100 . 1 . . . A 44 SER N . 18221 1 428 . 1 1 54 54 SER H H 1 7.944 0.010 . 1 . . . A 45 SER H . 18221 1 429 . 1 1 54 54 SER HA H 1 3.975 0.010 . 1 . . . A 45 SER HA . 18221 1 430 . 1 1 54 54 SER HB2 H 1 4.07 0.010 . 2 . . . A 45 SER HB2 . 18221 1 431 . 1 1 54 54 SER HB3 H 1 4.308 0.010 . 2 . . . A 45 SER HB3 . 18221 1 432 . 1 1 54 54 SER C C 13 177.131 0.100 . 1 . . . A 45 SER C . 18221 1 433 . 1 1 54 54 SER CA C 13 61.21 0.100 . 1 . . . A 45 SER CA . 18221 1 434 . 1 1 54 54 SER CB C 13 62.255 0.100 . 1 . . . A 45 SER CB . 18221 1 435 . 1 1 54 54 SER N N 15 118.714 0.100 . 1 . . . A 45 SER N . 18221 1 436 . 1 1 55 55 ILE H H 1 8.028 0.010 . 1 . . . A 46 ILE H . 18221 1 437 . 1 1 55 55 ILE HA H 1 3.757 0.010 . 1 . . . A 46 ILE HA . 18221 1 438 . 1 1 55 55 ILE HB H 1 1.924 0.010 . 1 . . . A 46 ILE HB . 18221 1 439 . 1 1 55 55 ILE HD11 H 1 0.889 0.010 . 1 . . . A 46 ILE HD11 . 18221 1 440 . 1 1 55 55 ILE HD12 H 1 0.889 0.010 . 1 . . . A 46 ILE HD12 . 18221 1 441 . 1 1 55 55 ILE HD13 H 1 0.889 0.010 . 1 . . . A 46 ILE HD13 . 18221 1 442 . 1 1 55 55 ILE C C 13 177.813 0.100 . 1 . . . A 46 ILE C . 18221 1 443 . 1 1 55 55 ILE CA C 13 64.191 0.100 . 1 . . . A 46 ILE CA . 18221 1 444 . 1 1 55 55 ILE CB C 13 36.926 0.100 . 1 . . . A 46 ILE CB . 18221 1 445 . 1 1 55 55 ILE CG1 C 13 28.298 0.100 . 1 . . . A 46 ILE CG1 . 18221 1 446 . 1 1 55 55 ILE CG2 C 13 17.125 0.100 . 1 . . . A 46 ILE CG2 . 18221 1 447 . 1 1 55 55 ILE CD1 C 13 12.67 0.100 . 1 . . . A 46 ILE CD1 . 18221 1 448 . 1 1 55 55 ILE N N 15 122.912 0.100 . 1 . . . A 46 ILE N . 18221 1 449 . 1 1 56 56 ALA H H 1 8.333 0.010 . 1 . . . A 47 ALA H . 18221 1 450 . 1 1 56 56 ALA HA H 1 3.956 0.010 . 1 . . . A 47 ALA HA . 18221 1 451 . 1 1 56 56 ALA HB1 H 1 1.458 0.010 . 1 . . . A 47 ALA HB1 . 18221 1 452 . 1 1 56 56 ALA HB2 H 1 1.458 0.010 . 1 . . . A 47 ALA HB2 . 18221 1 453 . 1 1 56 56 ALA HB3 H 1 1.458 0.010 . 1 . . . A 47 ALA HB3 . 18221 1 454 . 1 1 56 56 ALA C C 13 180.294 0.100 . 1 . . . A 47 ALA C . 18221 1 455 . 1 1 56 56 ALA CA C 13 54.338 0.100 . 1 . . . A 47 ALA CA . 18221 1 456 . 1 1 56 56 ALA CB C 13 17.702 0.100 . 1 . . . A 47 ALA CB . 18221 1 457 . 1 1 56 56 ALA N N 15 122.99 0.100 . 1 . . . A 47 ALA N . 18221 1 458 . 1 1 57 57 ALA H H 1 7.879 0.010 . 1 . . . A 48 ALA H . 18221 1 459 . 1 1 57 57 ALA HA H 1 4.068 0.010 . 1 . . . A 48 ALA HA . 18221 1 460 . 1 1 57 57 ALA HB1 H 1 1.496 0.010 . 1 . . . A 48 ALA HB1 . 18221 1 461 . 1 1 57 57 ALA HB2 H 1 1.496 0.010 . 1 . . . A 48 ALA HB2 . 18221 1 462 . 1 1 57 57 ALA HB3 H 1 1.496 0.010 . 1 . . . A 48 ALA HB3 . 18221 1 463 . 1 1 57 57 ALA CA C 13 54.421 0.100 . 1 . . . A 48 ALA CA . 18221 1 464 . 1 1 57 57 ALA CB C 13 17.702 0.100 . 1 . . . A 48 ALA CB . 18221 1 465 . 1 1 57 57 ALA N N 15 121.988 0.100 . 1 . . . A 48 ALA N . 18221 1 466 . 1 1 58 58 LYS H H 1 7.727 0.010 . 1 . . . A 49 LYS H . 18221 1 467 . 1 1 58 58 LYS HA H 1 4.146 0.010 . 1 . . . A 49 LYS HA . 18221 1 468 . 1 1 58 58 LYS HB2 H 1 1.952 0.010 . 2 . . . A 49 LYS HB2 . 18221 1 469 . 1 1 58 58 LYS HB3 H 1 1.952 0.010 . 2 . . . A 49 LYS HB3 . 18221 1 470 . 1 1 58 58 LYS C C 13 179.649 0.100 . 1 . . . A 49 LYS C . 18221 1 471 . 1 1 58 58 LYS CA C 13 57.157 0.100 . 1 . . . A 49 LYS CA . 18221 1 472 . 1 1 58 58 LYS CB C 13 31.33 0.100 . 1 . . . A 49 LYS CB . 18221 1 473 . 1 1 58 58 LYS CG C 13 24.221 0.100 . 1 . . . A 49 LYS CG . 18221 1 474 . 1 1 58 58 LYS N N 15 119.094 0.100 . 1 . . . A 49 LYS N . 18221 1 475 . 1 1 59 59 MET H H 1 8.395 0.010 . 1 . . . A 50 MET H . 18221 1 476 . 1 1 59 59 MET HA H 1 4.156 0.010 . 1 . . . A 50 MET HA . 18221 1 477 . 1 1 59 59 MET HB2 H 1 2.028 0.010 . 2 . . . A 50 MET HB2 . 18221 1 478 . 1 1 59 59 MET HB3 H 1 2.209 0.010 . 2 . . . A 50 MET HB3 . 18221 1 479 . 1 1 59 59 MET HG2 H 1 2.494 0.010 . 2 . . . A 50 MET HG2 . 18221 1 480 . 1 1 59 59 MET HG3 H 1 2.674 0.010 . 2 . . . A 50 MET HG3 . 18221 1 481 . 1 1 59 59 MET C C 13 177.949 0.100 . 1 . . . A 50 MET C . 18221 1 482 . 1 1 59 59 MET CA C 13 57.136 0.100 . 1 . . . A 50 MET CA . 18221 1 483 . 1 1 59 59 MET CB C 13 31.922 0.100 . 1 . . . A 50 MET CB . 18221 1 484 . 1 1 59 59 MET CG C 13 31.33 0.100 . 1 . . . A 50 MET CG . 18221 1 485 . 1 1 59 59 MET CE C 13 17.276 0.100 . 1 . . . A 50 MET CE . 18221 1 486 . 1 1 59 59 MET N N 15 120.498 0.100 . 1 . . . A 50 MET N . 18221 1 487 . 1 1 60 60 MET H H 1 8.234 0.010 . 1 . . . A 51 MET H . 18221 1 488 . 1 1 60 60 MET HA H 1 4.222 0.010 . 1 . . . A 51 MET HA . 18221 1 489 . 1 1 60 60 MET HB2 H 1 2.148 0.010 . 2 . . . A 51 MET HB2 . 18221 1 490 . 1 1 60 60 MET HB3 H 1 2.148 0.010 . 2 . . . A 51 MET HB3 . 18221 1 491 . 1 1 60 60 MET HG2 H 1 2.532 0.010 . 2 . . . A 51 MET HG2 . 18221 1 492 . 1 1 60 60 MET HG3 H 1 2.674 0.010 . 2 . . . A 51 MET HG3 . 18221 1 493 . 1 1 60 60 MET C C 13 177.674 0.100 . 1 . . . A 51 MET C . 18221 1 494 . 1 1 60 60 MET CA C 13 57.638 0.100 . 1 . . . A 51 MET CA . 18221 1 495 . 1 1 60 60 MET CB C 13 31.785 0.100 . 1 . . . A 51 MET CB . 18221 1 496 . 1 1 60 60 MET CG C 13 31.394 0.100 . 1 . . . A 51 MET CG . 18221 1 497 . 1 1 60 60 MET CE C 13 16.823 0.100 . 1 . . . A 51 MET CE . 18221 1 498 . 1 1 60 60 MET N N 15 117.689 0.100 . 1 . . . A 51 MET N . 18221 1 499 . 1 1 61 61 SER H H 1 7.893 0.010 . 1 . . . A 52 SER H . 18221 1 500 . 1 1 61 61 SER HA H 1 4.001 0.010 . 1 . . . A 52 SER HA . 18221 1 501 . 1 1 61 61 SER HB2 H 1 4.361 0.010 . 2 . . . A 52 SER HB2 . 18221 1 502 . 1 1 61 61 SER HB3 H 1 4.629 0.010 . 2 . . . A 52 SER HB3 . 18221 1 503 . 1 1 61 61 SER C C 13 176.079 0.100 . 1 . . . A 52 SER C . 18221 1 504 . 1 1 61 61 SER CA C 13 59.911 0.100 . 1 . . . A 52 SER CA . 18221 1 505 . 1 1 61 61 SER CB C 13 62.624 0.100 . 1 . . . A 52 SER CB . 18221 1 506 . 1 1 61 61 SER N N 15 114.385 0.100 . 1 . . . A 52 SER N . 18221 1 507 . 1 1 62 62 THR H H 1 7.794 0.010 . 1 . . . A 53 THR H . 18221 1 508 . 1 1 62 62 THR HA H 1 4.104 0.010 . 1 . . . A 53 THR HA . 18221 1 509 . 1 1 62 62 THR HB H 1 4.248 0.010 . 1 . . . A 53 THR HB . 18221 1 510 . 1 1 62 62 THR HG21 H 1 1.241 0.010 . 1 . . . A 53 THR HG21 . 18221 1 511 . 1 1 62 62 THR HG22 H 1 1.241 0.010 . 1 . . . A 53 THR HG22 . 18221 1 512 . 1 1 62 62 THR HG23 H 1 1.241 0.010 . 1 . . . A 53 THR HG23 . 18221 1 513 . 1 1 62 62 THR C C 13 175.436 0.100 . 1 . . . A 53 THR C . 18221 1 514 . 1 1 62 62 THR CA C 13 64.22 0.100 . 1 . . . A 53 THR CA . 18221 1 515 . 1 1 62 62 THR CB C 13 68.514 0.100 . 1 . . . A 53 THR CB . 18221 1 516 . 1 1 62 62 THR CG2 C 13 20.975 0.100 . 1 . . . A 53 THR CG2 . 18221 1 517 . 1 1 62 62 THR N N 15 117.304 0.100 . 1 . . . A 53 THR N . 18221 1 518 . 1 1 63 63 ALA H H 1 8.204 0.010 . 1 . . . A 54 ALA H . 18221 1 519 . 1 1 63 63 ALA HA H 1 4.094 0.010 . 1 . . . A 54 ALA HA . 18221 1 520 . 1 1 63 63 ALA HB1 H 1 1.427 0.010 . 1 . . . A 54 ALA HB1 . 18221 1 521 . 1 1 63 63 ALA HB2 H 1 1.427 0.010 . 1 . . . A 54 ALA HB2 . 18221 1 522 . 1 1 63 63 ALA HB3 H 1 1.427 0.010 . 1 . . . A 54 ALA HB3 . 18221 1 523 . 1 1 63 63 ALA C C 13 178.328 0.100 . 1 . . . A 54 ALA C . 18221 1 524 . 1 1 63 63 ALA CA C 13 54.096 0.100 . 1 . . . A 54 ALA CA . 18221 1 525 . 1 1 63 63 ALA CB C 13 17.708 0.100 . 1 . . . A 54 ALA CB . 18221 1 526 . 1 1 63 63 ALA N N 15 125.382 0.100 . 1 . . . A 54 ALA N . 18221 1 527 . 1 1 64 64 ALA H H 1 7.951 0.010 . 1 . . . A 55 ALA H . 18221 1 528 . 1 1 64 64 ALA HA H 1 4.125 0.010 . 1 . . . A 55 ALA HA . 18221 1 529 . 1 1 64 64 ALA HB1 H 1 1.427 0.010 . 1 . . . A 55 ALA HB1 . 18221 1 530 . 1 1 64 64 ALA HB2 H 1 1.427 0.010 . 1 . . . A 55 ALA HB2 . 18221 1 531 . 1 1 64 64 ALA HB3 H 1 1.427 0.010 . 1 . . . A 55 ALA HB3 . 18221 1 532 . 1 1 64 64 ALA C C 13 179.183 0.100 . 1 . . . A 55 ALA C . 18221 1 533 . 1 1 64 64 ALA CA C 13 54.037 0.100 . 1 . . . A 55 ALA CA . 18221 1 534 . 1 1 64 64 ALA CB C 13 17.708 0.100 . 1 . . . A 55 ALA CB . 18221 1 535 . 1 1 64 64 ALA N N 15 119.929 0.100 . 1 . . . A 55 ALA N . 18221 1 536 . 1 1 65 65 ILE H H 1 7.561 0.010 . 1 . . . A 56 ILE H . 18221 1 537 . 1 1 65 65 ILE HA H 1 3.95 0.010 . 1 . . . A 56 ILE HA . 18221 1 538 . 1 1 65 65 ILE HB H 1 1.954 0.010 . 1 . . . A 56 ILE HB . 18221 1 539 . 1 1 65 65 ILE HG12 H 1 1.561 0.010 . 2 . . . A 56 ILE HG12 . 18221 1 540 . 1 1 65 65 ILE HG13 H 1 1.561 0.010 . 2 . . . A 56 ILE HG13 . 18221 1 541 . 1 1 65 65 ILE HG21 H 1 1.2 0.010 . 1 . . . A 56 ILE HG21 . 18221 1 542 . 1 1 65 65 ILE HG22 H 1 1.2 0.010 . 1 . . . A 56 ILE HG22 . 18221 1 543 . 1 1 65 65 ILE HG23 H 1 1.2 0.010 . 1 . . . A 56 ILE HG23 . 18221 1 544 . 1 1 65 65 ILE HD11 H 1 0.889 0.010 . 1 . . . A 56 ILE HD11 . 18221 1 545 . 1 1 65 65 ILE HD12 H 1 0.889 0.010 . 1 . . . A 56 ILE HD12 . 18221 1 546 . 1 1 65 65 ILE HD13 H 1 0.889 0.010 . 1 . . . A 56 ILE HD13 . 18221 1 547 . 1 1 65 65 ILE C C 13 177.222 0.100 . 1 . . . A 56 ILE C . 18221 1 548 . 1 1 65 65 ILE CA C 13 62.184 0.100 . 1 . . . A 56 ILE CA . 18221 1 549 . 1 1 65 65 ILE CB C 13 37.073 0.100 . 1 . . . A 56 ILE CB . 18221 1 550 . 1 1 65 65 ILE CG1 C 13 27.241 0.100 . 1 . . . A 56 ILE CG1 . 18221 1 551 . 1 1 65 65 ILE CG2 C 13 17.125 0.100 . 1 . . . A 56 ILE CG2 . 18221 1 552 . 1 1 65 65 ILE CD1 C 13 12.217 0.100 . 1 . . . A 56 ILE CD1 . 18221 1 553 . 1 1 65 65 ILE N N 15 117.016 0.100 . 1 . . . A 56 ILE N . 18221 1 554 . 1 1 66 66 ALA H H 1 7.982 0.010 . 1 . . . A 57 ALA H . 18221 1 555 . 1 1 66 66 ALA HA H 1 4.177 0.010 . 1 . . . A 57 ALA HA . 18221 1 556 . 1 1 66 66 ALA HB1 H 1 1.406 0.010 . 1 . . . A 57 ALA HB1 . 18221 1 557 . 1 1 66 66 ALA HB2 H 1 1.406 0.010 . 1 . . . A 57 ALA HB2 . 18221 1 558 . 1 1 66 66 ALA HB3 H 1 1.406 0.010 . 1 . . . A 57 ALA HB3 . 18221 1 559 . 1 1 66 66 ALA C C 13 178.19 0.100 . 1 . . . A 57 ALA C . 18221 1 560 . 1 1 66 66 ALA CA C 13 53.536 0.100 . 1 . . . A 57 ALA CA . 18221 1 561 . 1 1 66 66 ALA CB C 13 17.929 0.100 . 1 . . . A 57 ALA CB . 18221 1 562 . 1 1 66 66 ALA N N 15 124.191 0.100 . 1 . . . A 57 ALA N . 18221 1 563 . 1 1 67 67 ASN H H 1 8.113 0.010 . 1 . . . A 58 ASN H . 18221 1 564 . 1 1 67 67 ASN HA H 1 4.673 0.010 . 1 . . . A 58 ASN HA . 18221 1 565 . 1 1 67 67 ASN HB2 H 1 2.73 0.010 . 2 . . . A 58 ASN HB2 . 18221 1 566 . 1 1 67 67 ASN HB3 H 1 2.854 0.010 . 2 . . . A 58 ASN HB3 . 18221 1 567 . 1 1 67 67 ASN C C 13 176.344 0.100 . 1 . . . A 58 ASN C . 18221 1 568 . 1 1 67 67 ASN CA C 13 53.477 0.100 . 1 . . . A 58 ASN CA . 18221 1 569 . 1 1 67 67 ASN CB C 13 38.472 0.100 . 1 . . . A 58 ASN CB . 18221 1 570 . 1 1 67 67 ASN CG C 13 176.897 0.100 . 1 . . . A 58 ASN CG . 18221 1 571 . 1 1 67 67 ASN N N 15 116.132 0.100 . 1 . . . A 58 ASN N . 18221 1 572 . 1 1 68 68 GLY H H 1 8.152 0.010 . 1 . . . A 59 GLY H . 18221 1 573 . 1 1 68 68 GLY HA2 H 1 3.95 0.010 . 2 . . . A 59 GLY HA2 . 18221 1 574 . 1 1 68 68 GLY HA3 H 1 3.95 0.010 . 2 . . . A 59 GLY HA3 . 18221 1 575 . 1 1 68 68 GLY C C 13 174.958 0.100 . 1 . . . A 59 GLY C . 18221 1 576 . 1 1 68 68 GLY CA C 13 45.655 0.100 . 1 . . . A 59 GLY CA . 18221 1 577 . 1 1 68 68 GLY N N 15 108.808 0.100 . 1 . . . A 59 GLY N . 18221 1 578 . 1 1 69 69 GLY H H 1 8.218 0.010 . 1 . . . A 60 GLY H . 18221 1 579 . 1 1 69 69 GLY HA2 H 1 3.933 0.010 . 2 . . . A 60 GLY HA2 . 18221 1 580 . 1 1 69 69 GLY HA3 H 1 3.933 0.010 . 2 . . . A 60 GLY HA3 . 18221 1 581 . 1 1 69 69 GLY C C 13 174.631 0.100 . 1 . . . A 60 GLY C . 18221 1 582 . 1 1 69 69 GLY CA C 13 45.419 0.100 . 1 . . . A 60 GLY CA . 18221 1 583 . 1 1 69 69 GLY N N 15 108.832 0.100 . 1 . . . A 60 GLY N . 18221 1 584 . 1 1 70 70 GLY H H 1 8.175 0.010 . 1 . . . A 61 GLY H . 18221 1 585 . 1 1 70 70 GLY HA2 H 1 3.939 0.010 . 2 . . . A 61 GLY HA2 . 18221 1 586 . 1 1 70 70 GLY HA3 H 1 3.939 0.010 . 2 . . . A 61 GLY HA3 . 18221 1 587 . 1 1 70 70 GLY C C 13 174.594 0.100 . 1 . . . A 61 GLY C . 18221 1 588 . 1 1 70 70 GLY CA C 13 45.36 0.100 . 1 . . . A 61 GLY CA . 18221 1 589 . 1 1 70 70 GLY N N 15 108.966 0.100 . 1 . . . A 61 GLY N . 18221 1 590 . 1 1 71 71 VAL H H 1 7.882 0.010 . 1 . . . A 62 VAL H . 18221 1 591 . 1 1 71 71 VAL HA H 1 4.006 0.010 . 1 . . . A 62 VAL HA . 18221 1 592 . 1 1 71 71 VAL HB H 1 2.054 0.010 . 1 . . . A 62 VAL HB . 18221 1 593 . 1 1 71 71 VAL HG11 H 1 0.914 0.010 . 2 . . . A 62 VAL HG11 . 18221 1 594 . 1 1 71 71 VAL HG12 H 1 0.914 0.010 . 2 . . . A 62 VAL HG12 . 18221 1 595 . 1 1 71 71 VAL HG13 H 1 0.914 0.010 . 2 . . . A 62 VAL HG13 . 18221 1 596 . 1 1 71 71 VAL HG21 H 1 0.914 0.010 . 2 . . . A 62 VAL HG21 . 18221 1 597 . 1 1 71 71 VAL HG22 H 1 0.914 0.010 . 2 . . . A 62 VAL HG22 . 18221 1 598 . 1 1 71 71 VAL HG23 H 1 0.914 0.010 . 2 . . . A 62 VAL HG23 . 18221 1 599 . 1 1 71 71 VAL C C 13 176.077 0.100 . 1 . . . A 62 VAL C . 18221 1 600 . 1 1 71 71 VAL CA C 13 62.39 0.100 . 1 . . . A 62 VAL CA . 18221 1 601 . 1 1 71 71 VAL CB C 13 31.698 0.100 . 1 . . . A 62 VAL CB . 18221 1 602 . 1 1 71 71 VAL N N 15 120.209 0.100 . 1 . . . A 62 VAL N . 18221 1 603 . 1 1 72 72 ALA H H 1 8.237 0.010 . 1 . . . A 63 ALA H . 18221 1 604 . 1 1 72 72 ALA HA H 1 4.026 0.010 . 1 . . . A 63 ALA HA . 18221 1 605 . 1 1 72 72 ALA HB1 H 1 1.406 0.010 . 1 . . . A 63 ALA HB1 . 18221 1 606 . 1 1 72 72 ALA HB2 H 1 1.406 0.010 . 1 . . . A 63 ALA HB2 . 18221 1 607 . 1 1 72 72 ALA HB3 H 1 1.406 0.010 . 1 . . . A 63 ALA HB3 . 18221 1 608 . 1 1 72 72 ALA C C 13 178.064 0.100 . 1 . . . A 63 ALA C . 18221 1 609 . 1 1 72 72 ALA CA C 13 52.503 0.100 . 1 . . . A 63 ALA CA . 18221 1 610 . 1 1 72 72 ALA CB C 13 18.225 0.100 . 1 . . . A 63 ALA CB . 18221 1 611 . 1 1 72 72 ALA N N 15 126.966 0.100 . 1 . . . A 63 ALA N . 18221 1 612 . 1 1 73 73 ALA H H 1 8.421 0.010 . 1 . . . A 64 ALA H . 18221 1 613 . 1 1 73 73 ALA HA H 1 4.015 0.010 . 1 . . . A 64 ALA HA . 18221 1 614 . 1 1 73 73 ALA HB1 H 1 1.416 0.010 . 1 . . . A 64 ALA HB1 . 18221 1 615 . 1 1 73 73 ALA HB2 H 1 1.416 0.010 . 1 . . . A 64 ALA HB2 . 18221 1 616 . 1 1 73 73 ALA HB3 H 1 1.416 0.010 . 1 . . . A 64 ALA HB3 . 18221 1 617 . 1 1 73 73 ALA C C 13 178.995 0.100 . 1 . . . A 64 ALA C . 18221 1 618 . 1 1 73 73 ALA CA C 13 54.421 0.100 . 1 . . . A 64 ALA CA . 18221 1 619 . 1 1 73 73 ALA CB C 13 18.003 0.100 . 1 . . . A 64 ALA CB . 18221 1 620 . 1 1 73 73 ALA N N 15 123.432 0.100 . 1 . . . A 64 ALA N . 18221 1 621 . 1 1 74 74 GLY H H 1 8.448 0.010 . 1 . . . A 65 GLY H . 18221 1 622 . 1 1 74 74 GLY HA2 H 1 3.824 0.010 . 2 . . . A 65 GLY HA2 . 18221 1 623 . 1 1 74 74 GLY HA3 H 1 4.002 0.010 . 2 . . . A 65 GLY HA3 . 18221 1 624 . 1 1 74 74 GLY C C 13 176.367 0.100 . 1 . . . A 65 GLY C . 18221 1 625 . 1 1 74 74 GLY CA C 13 46.244 0.100 . 1 . . . A 65 GLY CA . 18221 1 626 . 1 1 74 74 GLY N N 15 105.577 0.100 . 1 . . . A 65 GLY N . 18221 1 627 . 1 1 75 75 SER H H 1 7.899 0.010 . 1 . . . A 66 SER H . 18221 1 628 . 1 1 75 75 SER HA H 1 4.394 0.010 . 1 . . . A 66 SER HA . 18221 1 629 . 1 1 75 75 SER C C 13 176.329 0.100 . 1 . . . A 66 SER C . 18221 1 630 . 1 1 75 75 SER CA C 13 60.236 0.100 . 1 . . . A 66 SER CA . 18221 1 631 . 1 1 75 75 SER CB C 13 62.476 0.100 . 1 . . . A 66 SER CB . 18221 1 632 . 1 1 75 75 SER N N 15 117.656 0.100 . 1 . . . A 66 SER N . 18221 1 633 . 1 1 76 76 LEU H H 1 7.955 0.010 . 1 . . . A 67 LEU H . 18221 1 634 . 1 1 76 76 LEU HA H 1 4.05 0.010 . 1 . . . A 67 LEU HA . 18221 1 635 . 1 1 76 76 LEU HB2 H 1 1.702 0.010 . 2 . . . A 67 LEU HB2 . 18221 1 636 . 1 1 76 76 LEU HB3 H 1 1.702 0.010 . 2 . . . A 67 LEU HB3 . 18221 1 637 . 1 1 76 76 LEU HD11 H 1 0.879 0.010 . 2 . . . A 67 LEU HD11 . 18221 1 638 . 1 1 76 76 LEU HD12 H 1 0.879 0.010 . 2 . . . A 67 LEU HD12 . 18221 1 639 . 1 1 76 76 LEU HD13 H 1 0.879 0.010 . 2 . . . A 67 LEU HD13 . 18221 1 640 . 1 1 76 76 LEU HD21 H 1 0.879 0.010 . 2 . . . A 67 LEU HD21 . 18221 1 641 . 1 1 76 76 LEU HD22 H 1 0.879 0.010 . 2 . . . A 67 LEU HD22 . 18221 1 642 . 1 1 76 76 LEU HD23 H 1 0.879 0.010 . 2 . . . A 67 LEU HD23 . 18221 1 643 . 1 1 76 76 LEU C C 13 178.442 0.100 . 1 . . . A 67 LEU C . 18221 1 644 . 1 1 76 76 LEU CA C 13 57.52 0.100 . 1 . . . A 67 LEU CA . 18221 1 645 . 1 1 76 76 LEU CB C 13 40.681 0.100 . 1 . . . A 67 LEU CB . 18221 1 646 . 1 1 76 76 LEU CG C 13 26.438 0.100 . 1 . . . A 67 LEU CG . 18221 1 647 . 1 1 76 76 LEU N N 15 122.743 0.100 . 1 . . . A 67 LEU N . 18221 1 648 . 1 1 77 77 VAL H H 1 8.039 0.010 . 1 . . . A 68 VAL H . 18221 1 649 . 1 1 77 77 VAL HA H 1 3.471 0.010 . 1 . . . A 68 VAL HA . 18221 1 650 . 1 1 77 77 VAL HB H 1 2.089 0.010 . 1 . . . A 68 VAL HB . 18221 1 651 . 1 1 77 77 VAL HG11 H 1 0.891 0.010 . 2 . . . A 68 VAL HG11 . 18221 1 652 . 1 1 77 77 VAL HG12 H 1 0.891 0.010 . 2 . . . A 68 VAL HG12 . 18221 1 653 . 1 1 77 77 VAL HG13 H 1 0.891 0.010 . 2 . . . A 68 VAL HG13 . 18221 1 654 . 1 1 77 77 VAL HG21 H 1 1.031 0.010 . 2 . . . A 68 VAL HG21 . 18221 1 655 . 1 1 77 77 VAL HG22 H 1 1.031 0.010 . 2 . . . A 68 VAL HG22 . 18221 1 656 . 1 1 77 77 VAL HG23 H 1 1.031 0.010 . 2 . . . A 68 VAL HG23 . 18221 1 657 . 1 1 77 77 VAL C C 13 177.297 0.100 . 1 . . . A 68 VAL C . 18221 1 658 . 1 1 77 77 VAL CA C 13 66.67 0.100 . 1 . . . A 68 VAL CA . 18221 1 659 . 1 1 77 77 VAL CB C 13 30.52 0.100 . 1 . . . A 68 VAL CB . 18221 1 660 . 1 1 77 77 VAL CG1 C 13 20.388 0.100 . 2 . . . A 68 VAL CG1 . 18221 1 661 . 1 1 77 77 VAL CG2 C 13 22.454 0.100 . 2 . . . A 68 VAL CG2 . 18221 1 662 . 1 1 77 77 VAL N N 15 118.4 0.100 . 1 . . . A 68 VAL N . 18221 1 663 . 1 1 78 78 ALA H H 1 7.631 0.010 . 1 . . . A 69 ALA H . 18221 1 664 . 1 1 78 78 ALA HA H 1 4.205 0.010 . 1 . . . A 69 ALA HA . 18221 1 665 . 1 1 78 78 ALA HB1 H 1 1.495 0.010 . 1 . . . A 69 ALA HB1 . 18221 1 666 . 1 1 78 78 ALA HB2 H 1 1.495 0.010 . 1 . . . A 69 ALA HB2 . 18221 1 667 . 1 1 78 78 ALA HB3 H 1 1.495 0.010 . 1 . . . A 69 ALA HB3 . 18221 1 668 . 1 1 78 78 ALA C C 13 181.258 0.100 . 1 . . . A 69 ALA C . 18221 1 669 . 1 1 78 78 ALA CA C 13 54.982 0.100 . 1 . . . A 69 ALA CA . 18221 1 670 . 1 1 78 78 ALA CB C 13 17.414 0.100 . 1 . . . A 69 ALA CB . 18221 1 671 . 1 1 78 78 ALA N N 15 121.927 0.100 . 1 . . . A 69 ALA N . 18221 1 672 . 1 1 79 79 ILE H H 1 7.841 0.010 . 1 . . . A 70 ILE H . 18221 1 673 . 1 1 79 79 ILE HA H 1 3.796 0.010 . 1 . . . A 70 ILE HA . 18221 1 674 . 1 1 79 79 ILE HB H 1 1.819 0.010 . 1 . . . A 70 ILE HB . 18221 1 675 . 1 1 79 79 ILE HD11 H 1 0.872 0.010 . 1 . . . A 70 ILE HD11 . 18221 1 676 . 1 1 79 79 ILE HD12 H 1 0.872 0.010 . 1 . . . A 70 ILE HD12 . 18221 1 677 . 1 1 79 79 ILE HD13 H 1 0.872 0.010 . 1 . . . A 70 ILE HD13 . 18221 1 678 . 1 1 79 79 ILE C C 13 178.253 0.100 . 1 . . . A 70 ILE C . 18221 1 679 . 1 1 79 79 ILE CA C 13 64.352 0.100 . 1 . . . A 70 ILE CA . 18221 1 680 . 1 1 79 79 ILE CB C 13 37.073 0.100 . 1 . . . A 70 ILE CB . 18221 1 681 . 1 1 79 79 ILE CG1 C 13 28.135 0.100 . 1 . . . A 70 ILE CG1 . 18221 1 682 . 1 1 79 79 ILE CG2 C 13 16.846 0.100 . 1 . . . A 70 ILE CG2 . 18221 1 683 . 1 1 79 79 ILE CD1 C 13 12.788 0.100 . 1 . . . A 70 ILE CD1 . 18221 1 684 . 1 1 79 79 ILE N N 15 119.782 0.100 . 1 . . . A 70 ILE N . 18221 1 685 . 1 1 80 80 LEU H H 1 8.19 0.010 . 1 . . . A 71 LEU H . 18221 1 686 . 1 1 80 80 LEU HA H 1 3.937 0.010 . 1 . . . A 71 LEU HA . 18221 1 687 . 1 1 80 80 LEU HB2 H 1 1.924 0.010 . 2 . . . A 71 LEU HB2 . 18221 1 688 . 1 1 80 80 LEU HB3 H 1 1.924 0.010 . 2 . . . A 71 LEU HB3 . 18221 1 689 . 1 1 80 80 LEU HD11 H 1 0.841 0.010 . 2 . . . A 71 LEU HD11 . 18221 1 690 . 1 1 80 80 LEU HD12 H 1 0.841 0.010 . 2 . . . A 71 LEU HD12 . 18221 1 691 . 1 1 80 80 LEU HD13 H 1 0.841 0.010 . 2 . . . A 71 LEU HD13 . 18221 1 692 . 1 1 80 80 LEU HD21 H 1 0.841 0.010 . 2 . . . A 71 LEU HD21 . 18221 1 693 . 1 1 80 80 LEU HD22 H 1 0.841 0.010 . 2 . . . A 71 LEU HD22 . 18221 1 694 . 1 1 80 80 LEU HD23 H 1 0.841 0.010 . 2 . . . A 71 LEU HD23 . 18221 1 695 . 1 1 80 80 LEU C C 13 179.234 0.100 . 1 . . . A 71 LEU C . 18221 1 696 . 1 1 80 80 LEU CA C 13 57.845 0.100 . 1 . . . A 71 LEU CA . 18221 1 697 . 1 1 80 80 LEU CB C 13 40.019 0.100 . 1 . . . A 71 LEU CB . 18221 1 698 . 1 1 80 80 LEU CG C 13 26.069 0.100 . 1 . . . A 71 LEU CG . 18221 1 699 . 1 1 80 80 LEU N N 15 120.841 0.100 . 1 . . . A 71 LEU N . 18221 1 700 . 1 1 81 81 GLN H H 1 8.489 0.010 . 1 . . . A 72 GLN H . 18221 1 701 . 1 1 81 81 GLN HA H 1 3.969 0.010 . 1 . . . A 72 GLN HA . 18221 1 702 . 1 1 81 81 GLN HB2 H 1 2.082 0.010 . 2 . . . A 72 GLN HB2 . 18221 1 703 . 1 1 81 81 GLN HB3 H 1 2.082 0.010 . 2 . . . A 72 GLN HB3 . 18221 1 704 . 1 1 81 81 GLN HG2 H 1 2.228 0.010 . 2 . . . A 72 GLN HG2 . 18221 1 705 . 1 1 81 81 GLN HG3 H 1 2.228 0.010 . 2 . . . A 72 GLN HG3 . 18221 1 706 . 1 1 81 81 GLN C C 13 178.53 0.100 . 1 . . . A 72 GLN C . 18221 1 707 . 1 1 81 81 GLN CA C 13 58.819 0.100 . 1 . . . A 72 GLN CA . 18221 1 708 . 1 1 81 81 GLN CB C 13 27.28 0.100 . 1 . . . A 72 GLN CB . 18221 1 709 . 1 1 81 81 GLN CG C 13 33.743 0.100 . 1 . . . A 72 GLN CG . 18221 1 710 . 1 1 81 81 GLN N N 15 117.558 0.100 . 1 . . . A 72 GLN N . 18221 1 711 . 1 1 82 82 SER H H 1 7.855 0.010 . 1 . . . A 73 SER H . 18221 1 712 . 1 1 82 82 SER HA H 1 4.233 0.010 . 1 . . . A 73 SER HA . 18221 1 713 . 1 1 82 82 SER HB2 H 1 3.779 0.010 . 2 . . . A 73 SER HB2 . 18221 1 714 . 1 1 82 82 SER HB3 H 1 3.779 0.010 . 2 . . . A 73 SER HB3 . 18221 1 715 . 1 1 82 82 SER C C 13 177.243 0.100 . 1 . . . A 73 SER C . 18221 1 716 . 1 1 82 82 SER CA C 13 61.044 0.100 . 1 . . . A 73 SER CA . 18221 1 717 . 1 1 82 82 SER CB C 13 62.257 0.100 . 1 . . . A 73 SER CB . 18221 1 718 . 1 1 82 82 SER N N 15 116.103 0.100 . 1 . . . A 73 SER N . 18221 1 719 . 1 1 83 83 VAL H H 1 8.03 0.010 . 1 . . . A 74 VAL H . 18221 1 720 . 1 1 83 83 VAL C C 13 177.979 0.100 . 1 . . . A 74 VAL C . 18221 1 721 . 1 1 83 83 VAL CA C 13 65.106 0.100 . 1 . . . A 74 VAL CA . 18221 1 722 . 1 1 83 83 VAL CB C 13 30.741 0.100 . 1 . . . A 74 VAL CB . 18221 1 723 . 1 1 83 83 VAL CG1 C 13 20.83 0.100 . 2 . . . A 74 VAL CG1 . 18221 1 724 . 1 1 83 83 VAL CG2 C 13 21.716 0.100 . 2 . . . A 74 VAL CG2 . 18221 1 725 . 1 1 83 83 VAL N N 15 120.362 0.100 . 1 . . . A 74 VAL N . 18221 1 726 . 1 1 84 84 GLY H H 1 8.369 0.010 . 1 . . . A 75 GLY H . 18221 1 727 . 1 1 84 84 GLY HA2 H 1 3.757 0.010 . 2 . . . A 75 GLY HA2 . 18221 1 728 . 1 1 84 84 GLY HA3 H 1 3.757 0.010 . 2 . . . A 75 GLY HA3 . 18221 1 729 . 1 1 84 84 GLY C C 13 174.913 0.100 . 1 . . . A 75 GLY C . 18221 1 730 . 1 1 84 84 GLY CA C 13 46.777 0.100 . 1 . . . A 75 GLY CA . 18221 1 731 . 1 1 84 84 GLY N N 15 108.223 0.100 . 1 . . . A 75 GLY N . 18221 1 732 . 1 1 85 85 ALA H H 1 8.115 0.010 . 1 . . . A 76 ALA H . 18221 1 733 . 1 1 85 85 ALA HA H 1 4.094 0.010 . 1 . . . A 76 ALA HA . 18221 1 734 . 1 1 85 85 ALA HB1 H 1 1.484 0.010 . 1 . . . A 76 ALA HB1 . 18221 1 735 . 1 1 85 85 ALA HB2 H 1 1.484 0.010 . 1 . . . A 76 ALA HB2 . 18221 1 736 . 1 1 85 85 ALA HB3 H 1 1.484 0.010 . 1 . . . A 76 ALA HB3 . 18221 1 737 . 1 1 85 85 ALA CA C 13 54.598 0.100 . 1 . . . A 76 ALA CA . 18221 1 738 . 1 1 85 85 ALA CB C 13 17.623 0.100 . 1 . . . A 76 ALA CB . 18221 1 739 . 1 1 85 85 ALA N N 15 123.55 0.100 . 1 . . . A 76 ALA N . 18221 1 740 . 1 1 86 86 ALA H H 1 8.632 0.010 . 1 . . . A 77 ALA H . 18221 1 741 . 1 1 86 86 ALA C C 13 178.988 0.100 . 1 . . . A 77 ALA C . 18221 1 742 . 1 1 86 86 ALA CA C 13 54.836 0.100 . 1 . . . A 77 ALA CA . 18221 1 743 . 1 1 86 86 ALA CB C 13 17.51 0.100 . 1 . . . A 77 ALA CB . 18221 1 744 . 1 1 86 86 ALA N N 15 120.41 0.100 . 1 . . . A 77 ALA N . 18221 1 745 . 1 1 87 87 GLY H H 1 8.196 0.010 . 1 . . . A 78 GLY H . 18221 1 746 . 1 1 87 87 GLY HA2 H 1 3.91 0.010 . 2 . . . A 78 GLY HA2 . 18221 1 747 . 1 1 87 87 GLY HA3 H 1 3.91 0.010 . 2 . . . A 78 GLY HA3 . 18221 1 748 . 1 1 87 87 GLY C C 13 175.939 0.100 . 1 . . . A 78 GLY C . 18221 1 749 . 1 1 87 87 GLY CA C 13 46.118 0.100 . 1 . . . A 78 GLY CA . 18221 1 750 . 1 1 87 87 GLY N N 15 105.706 0.100 . 1 . . . A 78 GLY N . 18221 1 751 . 1 1 88 88 LEU H H 1 8.449 0.010 . 1 . . . A 79 LEU H . 18221 1 752 . 1 1 88 88 LEU CA C 13 57.402 0.100 . 1 . . . A 79 LEU CA . 18221 1 753 . 1 1 88 88 LEU CB C 13 40.387 0.100 . 1 . . . A 79 LEU CB . 18221 1 754 . 1 1 88 88 LEU CG C 13 26.217 0.100 . 1 . . . A 79 LEU CG . 18221 1 755 . 1 1 88 88 LEU N N 15 124.128 0.100 . 1 . . . A 79 LEU N . 18221 1 756 . 1 1 89 89 SER H H 1 8.12 0.010 . 1 . . . A 80 SER H . 18221 1 757 . 1 1 89 89 SER C C 13 179.153 0.100 . 1 . . . A 80 SER C . 18221 1 758 . 1 1 89 89 SER CA C 13 61.023 0.100 . 1 . . . A 80 SER CA . 18221 1 759 . 1 1 89 89 SER CB C 13 62.255 0.100 . 1 . . . A 80 SER CB . 18221 1 760 . 1 1 89 89 SER N N 15 116.251 0.100 . 1 . . . A 80 SER N . 18221 1 761 . 1 1 90 90 VAL H H 1 7.955 0.010 . 1 . . . A 81 VAL H . 18221 1 762 . 1 1 90 90 VAL C C 13 177.652 0.100 . 1 . . . A 81 VAL C . 18221 1 763 . 1 1 90 90 VAL CA C 13 65.076 0.100 . 1 . . . A 81 VAL CA . 18221 1 764 . 1 1 90 90 VAL CB C 13 31.33 0.100 . 1 . . . A 81 VAL CB . 18221 1 765 . 1 1 90 90 VAL CG1 C 13 20.883 0.100 . 2 . . . A 81 VAL CG1 . 18221 1 766 . 1 1 90 90 VAL CG2 C 13 21.799 0.100 . 2 . . . A 81 VAL CG2 . 18221 1 767 . 1 1 90 90 VAL N N 15 119.31 0.100 . 1 . . . A 81 VAL N . 18221 1 768 . 1 1 91 91 THR H H 1 7.888 0.010 . 1 . . . A 82 THR H . 18221 1 769 . 1 1 91 91 THR C C 13 176.571 0.100 . 1 . . . A 82 THR C . 18221 1 770 . 1 1 91 91 THR CA C 13 66.434 0.100 . 1 . . . A 82 THR CA . 18221 1 771 . 1 1 91 91 THR CB C 13 67.742 0.100 . 1 . . . A 82 THR CB . 18221 1 772 . 1 1 91 91 THR CG2 C 13 21.112 0.100 . 1 . . . A 82 THR CG2 . 18221 1 773 . 1 1 91 91 THR N N 15 115.535 0.100 . 1 . . . A 82 THR N . 18221 1 774 . 1 1 92 92 SER H H 1 8.212 0.010 . 1 . . . A 83 SER H . 18221 1 775 . 1 1 92 92 SER HA H 1 4.04 0.010 . 1 . . . A 83 SER HA . 18221 1 776 . 1 1 92 92 SER HB2 H 1 3.961 0.010 . 2 . . . A 83 SER HB2 . 18221 1 777 . 1 1 92 92 SER HB3 H 1 3.961 0.010 . 2 . . . A 83 SER HB3 . 18221 1 778 . 1 1 92 92 SER C C 13 176.761 0.100 . 1 . . . A 83 SER C . 18221 1 779 . 1 1 92 92 SER CA C 13 61.564 0.100 . 1 . . . A 83 SER CA . 18221 1 780 . 1 1 92 92 SER CB C 13 62.009 0.100 . 1 . . . A 83 SER CB . 18221 1 781 . 1 1 92 92 SER N N 15 116.537 0.100 . 1 . . . A 83 SER N . 18221 1 782 . 1 1 93 93 LYS H H 1 7.642 0.010 . 1 . . . A 84 LYS H . 18221 1 783 . 1 1 93 93 LYS HA H 1 4.119 0.010 . 1 . . . A 84 LYS HA . 18221 1 784 . 1 1 93 93 LYS HB2 H 1 1.955 0.010 . 2 . . . A 84 LYS HB2 . 18221 1 785 . 1 1 93 93 LYS HB3 H 1 1.955 0.010 . 2 . . . A 84 LYS HB3 . 18221 1 786 . 1 1 93 93 LYS C C 13 172.812 0.100 . 1 . . . A 84 LYS C . 18221 1 787 . 1 1 93 93 LYS CA C 13 58.435 0.100 . 1 . . . A 84 LYS CA . 18221 1 788 . 1 1 93 93 LYS CB C 13 31.477 0.100 . 1 . . . A 84 LYS CB . 18221 1 789 . 1 1 93 93 LYS CG C 13 24.393 0.100 . 1 . . . A 84 LYS CG . 18221 1 790 . 1 1 93 93 LYS N N 15 122.353 0.100 . 1 . . . A 84 LYS N . 18221 1 791 . 1 1 94 94 VAL H H 1 8.414 0.010 . 1 . . . A 85 VAL H . 18221 1 792 . 1 1 94 94 VAL C C 13 177.948 0.100 . 1 . . . A 85 VAL C . 18221 1 793 . 1 1 94 94 VAL CA C 13 65.389 0.100 . 1 . . . A 85 VAL CA . 18221 1 794 . 1 1 94 94 VAL CB C 13 31.846 0.100 . 1 . . . A 85 VAL CB . 18221 1 795 . 1 1 94 94 VAL N N 15 119.348 0.100 . 1 . . . A 85 VAL N . 18221 1 796 . 1 1 95 95 ILE H H 1 8.169 0.010 . 1 . . . A 86 ILE H . 18221 1 797 . 1 1 95 95 ILE C C 13 177.972 0.100 . 1 . . . A 86 ILE C . 18221 1 798 . 1 1 95 95 ILE CA C 13 63.837 0.100 . 1 . . . A 86 ILE CA . 18221 1 799 . 1 1 95 95 ILE CB C 13 36.632 0.100 . 1 . . . A 86 ILE CB . 18221 1 800 . 1 1 95 95 ILE CG1 C 13 27.903 0.100 . 1 . . . A 86 ILE CG1 . 18221 1 801 . 1 1 95 95 ILE CG2 C 13 17.145 0.100 . 1 . . . A 86 ILE CG2 . 18221 1 802 . 1 1 95 95 ILE N N 15 118.769 0.100 . 1 . . . A 86 ILE N . 18221 1 803 . 1 1 96 96 GLY H H 1 8.182 0.010 . 1 . . . A 87 GLY H . 18221 1 804 . 1 1 96 96 GLY C C 13 176.571 0.100 . 1 . . . A 87 GLY C . 18221 1 805 . 1 1 96 96 GLY CA C 13 46.511 0.100 . 1 . . . A 87 GLY CA . 18221 1 806 . 1 1 96 96 GLY N N 15 107.955 0.100 . 1 . . . A 87 GLY N . 18221 1 807 . 1 1 97 97 GLY H H 1 7.953 0.010 . 1 . . . A 88 GLY H . 18221 1 808 . 1 1 97 97 GLY HA2 H 1 3.835 0.010 . 2 . . . A 88 GLY HA2 . 18221 1 809 . 1 1 97 97 GLY HA3 H 1 4.026 0.010 . 2 . . . A 88 GLY HA3 . 18221 1 810 . 1 1 97 97 GLY C C 13 175.524 0.100 . 1 . . . A 88 GLY C . 18221 1 811 . 1 1 97 97 GLY CA C 13 45.832 0.100 . 1 . . . A 88 GLY CA . 18221 1 812 . 1 1 97 97 GLY N N 15 109.117 0.100 . 1 . . . A 88 GLY N . 18221 1 813 . 1 1 98 98 PHE H H 1 8 0.010 . 1 . . . A 89 PHE H . 18221 1 814 . 1 1 98 98 PHE HB2 H 1 3.141 0.010 . 2 . . . A 89 PHE HB2 . 18221 1 815 . 1 1 98 98 PHE HB3 H 1 3.141 0.010 . 2 . . . A 89 PHE HB3 . 18221 1 816 . 1 1 98 98 PHE C C 13 176.367 0.100 . 1 . . . A 89 PHE C . 18221 1 817 . 1 1 98 98 PHE CA C 13 56.9 0.100 . 1 . . . A 89 PHE CA . 18221 1 818 . 1 1 98 98 PHE CB C 13 38.832 0.100 . 1 . . . A 89 PHE CB . 18221 1 819 . 1 1 98 98 PHE N N 15 121.1 0.100 . 1 . . . A 89 PHE N . 18221 1 820 . 1 1 99 99 ALA H H 1 8.322 0.010 . 1 . . . A 90 ALA H . 18221 1 821 . 1 1 99 99 ALA HB1 H 1 1.439 0.010 . 1 . . . A 90 ALA HB1 . 18221 1 822 . 1 1 99 99 ALA HB2 H 1 1.439 0.010 . 1 . . . A 90 ALA HB2 . 18221 1 823 . 1 1 99 99 ALA HB3 H 1 1.439 0.010 . 1 . . . A 90 ALA HB3 . 18221 1 824 . 1 1 99 99 ALA C C 13 178.348 0.100 . 1 . . . A 90 ALA C . 18221 1 825 . 1 1 99 99 ALA CA C 13 55.277 0.100 . 1 . . . A 90 ALA CA . 18221 1 826 . 1 1 99 99 ALA CB C 13 17.414 0.100 . 1 . . . A 90 ALA CB . 18221 1 827 . 1 1 99 99 ALA N N 15 122.834 0.100 . 1 . . . A 90 ALA N . 18221 1 828 . 1 1 100 100 GLY H H 1 8 0.010 . 1 . . . A 91 GLY H . 18221 1 829 . 1 1 100 100 GLY C C 13 175.878 0.100 . 1 . . . A 91 GLY C . 18221 1 830 . 1 1 100 100 GLY CA C 13 45.626 0.100 . 1 . . . A 91 GLY CA . 18221 1 831 . 1 1 100 100 GLY N N 15 106.688 0.100 . 1 . . . A 91 GLY N . 18221 1 832 . 1 1 101 101 THR H H 1 7.754 0.010 . 1 . . . A 92 THR H . 18221 1 833 . 1 1 101 101 THR C C 13 178.476 0.100 . 1 . . . A 92 THR C . 18221 1 834 . 1 1 101 101 THR CA C 13 63.364 0.100 . 1 . . . A 92 THR CA . 18221 1 835 . 1 1 101 101 THR CB C 13 69.619 0.100 . 1 . . . A 92 THR CB . 18221 1 836 . 1 1 101 101 THR CG2 C 13 20.927 0.100 . 1 . . . A 92 THR CG2 . 18221 1 837 . 1 1 101 101 THR N N 15 115.689 0.100 . 1 . . . A 92 THR N . 18221 1 838 . 1 1 102 102 ALA H H 1 7.919 0.010 . 1 . . . A 93 ALA H . 18221 1 839 . 1 1 102 102 ALA CA C 13 54.311 0.100 . 1 . . . A 93 ALA CA . 18221 1 840 . 1 1 102 102 ALA CB C 13 17.679 0.100 . 1 . . . A 93 ALA CB . 18221 1 841 . 1 1 102 102 ALA N N 15 124.835 0.100 . 1 . . . A 93 ALA N . 18221 1 842 . 1 1 103 103 LEU H H 1 8.037 0.010 . 1 . . . A 94 LEU H . 18221 1 843 . 1 1 103 103 LEU CA C 13 56.782 0.100 . 1 . . . A 94 LEU CA . 18221 1 844 . 1 1 103 103 LEU CB C 13 40.902 0.100 . 1 . . . A 94 LEU CB . 18221 1 845 . 1 1 103 103 LEU CG C 13 26.759 0.100 . 1 . . . A 94 LEU CG . 18221 1 846 . 1 1 103 103 LEU N N 15 117.445 0.100 . 1 . . . A 94 LEU N . 18221 1 847 . 1 1 104 104 GLY H H 1 7.9 0.010 . 1 . . . A 95 GLY H . 18221 1 848 . 1 1 104 104 GLY C C 13 175.851 0.100 . 1 . . . A 95 GLY C . 18221 1 849 . 1 1 104 104 GLY CA C 13 46.57 0.100 . 1 . . . A 95 GLY CA . 18221 1 850 . 1 1 104 104 GLY N N 15 106.296 0.100 . 1 . . . A 95 GLY N . 18221 1 851 . 1 1 105 105 ALA H H 1 7.804 0.010 . 1 . . . A 96 ALA H . 18221 1 852 . 1 1 105 105 ALA CA C 13 54.126 0.100 . 1 . . . A 96 ALA CA . 18221 1 853 . 1 1 105 105 ALA CB C 13 17.587 0.100 . 1 . . . A 96 ALA CB . 18221 1 854 . 1 1 105 105 ALA N N 15 123.872 0.100 . 1 . . . A 96 ALA N . 18221 1 855 . 1 1 106 106 TRP H H 1 8.385 0.010 . 1 . . . A 97 TRP H . 18221 1 856 . 1 1 106 106 TRP C C 13 176.857 0.100 . 1 . . . A 97 TRP C . 18221 1 857 . 1 1 106 106 TRP CA C 13 56.9 0.100 . 1 . . . A 97 TRP CA . 18221 1 858 . 1 1 106 106 TRP N N 15 120.348 0.100 . 1 . . . A 97 TRP N . 18221 1 859 . 1 1 107 107 LEU H H 1 7.88 0.010 . 1 . . . A 98 LEU H . 18221 1 860 . 1 1 107 107 LEU C C 13 177.659 0.100 . 1 . . . A 98 LEU C . 18221 1 861 . 1 1 107 107 LEU CA C 13 55.103 0.100 . 1 . . . A 98 LEU CA . 18221 1 862 . 1 1 107 107 LEU CB C 13 41.418 0.100 . 1 . . . A 98 LEU CB . 18221 1 863 . 1 1 107 107 LEU CG C 13 26.051 0.100 . 1 . . . A 98 LEU CG . 18221 1 864 . 1 1 107 107 LEU N N 15 117.756 0.100 . 1 . . . A 98 LEU N . 18221 1 865 . 1 1 108 108 GLY H H 1 7.694 0.010 . 1 . . . A 99 GLY H . 18221 1 866 . 1 1 108 108 GLY C C 13 173.815 0.100 . 1 . . . A 99 GLY C . 18221 1 867 . 1 1 108 108 GLY CA C 13 44.947 0.100 . 1 . . . A 99 GLY CA . 18221 1 868 . 1 1 108 108 GLY N N 15 107.285 0.100 . 1 . . . A 99 GLY N . 18221 1 869 . 1 1 109 109 SER H H 1 8.03 0.010 . 1 . . . A 100 SER H . 18221 1 870 . 1 1 109 109 SER C C 13 172.179 0.100 . 1 . . . A 100 SER C . 18221 1 871 . 1 1 109 109 SER CA C 13 56.015 0.100 . 1 . . . A 100 SER CA . 18221 1 872 . 1 1 109 109 SER CB C 13 62.771 0.100 . 1 . . . A 100 SER CB . 18221 1 873 . 1 1 109 109 SER N N 15 117.139 0.100 . 1 . . . A 100 SER N . 18221 1 874 . 1 1 111 111 PRO C C 13 177.073 0.100 . 1 . . . A 102 PRO C . 18221 1 875 . 1 1 111 111 PRO CA C 13 62.199 0.100 . 1 . . . A 102 PRO CA . 18221 1 876 . 1 1 111 111 PRO CB C 13 31.211 0.100 . 1 . . . A 102 PRO CB . 18221 1 877 . 1 1 112 112 SER H H 1 8.345 0.010 . 1 . . . A 103 SER H . 18221 1 878 . 1 1 112 112 SER C C 13 173.898 0.100 . 1 . . . A 103 SER C . 18221 1 879 . 1 1 112 112 SER CA C 13 57.904 0.100 . 1 . . . A 103 SER CA . 18221 1 880 . 1 1 112 112 SER CB C 13 63.36 0.100 . 1 . . . A 103 SER CB . 18221 1 881 . 1 1 112 112 SER N N 15 117.115 0.100 . 1 . . . A 103 SER N . 18221 1 882 . 1 1 113 113 SER H H 1 7.899 0.010 . 1 . . . A 104 SER H . 18221 1 883 . 1 1 113 113 SER CA C 13 59.616 0.100 . 1 . . . A 104 SER CA . 18221 1 884 . 1 1 113 113 SER CB C 13 64.17 0.100 . 1 . . . A 104 SER CB . 18221 1 885 . 1 1 113 113 SER N N 15 123.608 0.100 . 1 . . . A 104 SER N . 18221 1 stop_ save_