################################### # 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 19664 _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 '3D HNCACB' . . . 19664 1 2 '3D HN(COCA)CB' . . . 19664 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 HB1 H 1 1.398 0.02 . 1 . . . A 1 ALA HB1 . 19664 1 2 . 1 1 1 1 ALA HB2 H 1 1.398 0.02 . 1 . . . A 1 ALA HB2 . 19664 1 3 . 1 1 1 1 ALA HB3 H 1 1.398 0.02 . 1 . . . A 1 ALA HB3 . 19664 1 4 . 1 1 10 10 THR HG21 H 1 0.906 0.02 . 1 . . . A 10 THR HG21 . 19664 1 5 . 1 1 10 10 THR HG22 H 1 0.906 0.02 . 1 . . . A 10 THR HG22 . 19664 1 6 . 1 1 10 10 THR HG23 H 1 0.906 0.02 . 1 . . . A 10 THR HG23 . 19664 1 7 . 1 1 10 10 THR CG2 C 13 21.278 0.20 . 1 . . . A 10 THR CG2 . 19664 1 8 . 1 1 11 11 THR HG21 H 1 1.146 0.02 . 1 . . . A 11 THR HG21 . 19664 1 9 . 1 1 11 11 THR HG22 H 1 1.146 0.02 . 1 . . . A 11 THR HG22 . 19664 1 10 . 1 1 11 11 THR HG23 H 1 1.146 0.02 . 1 . . . A 11 THR HG23 . 19664 1 11 . 1 1 11 11 THR CG2 C 13 20.773 0.20 . 1 . . . A 11 THR CG2 . 19664 1 12 . 1 1 12 12 LEU HD11 H 1 0.727 0.02 . 1 . . . A 12 LEU HD11 . 19664 1 13 . 1 1 12 12 LEU HD12 H 1 0.727 0.02 . 1 . . . A 12 LEU HD12 . 19664 1 14 . 1 1 12 12 LEU HD13 H 1 0.727 0.02 . 1 . . . A 12 LEU HD13 . 19664 1 15 . 1 1 12 12 LEU HD21 H 1 0.847 0.02 . 1 . . . A 12 LEU HD21 . 19664 1 16 . 1 1 12 12 LEU HD22 H 1 0.847 0.02 . 1 . . . A 12 LEU HD22 . 19664 1 17 . 1 1 12 12 LEU HD23 H 1 0.847 0.02 . 1 . . . A 12 LEU HD23 . 19664 1 18 . 1 1 12 12 LEU CD1 C 13 23.871 0.20 . 1 . . . A 12 LEU CD1 . 19664 1 19 . 1 1 12 12 LEU CD2 C 13 22.592 0.20 . 1 . . . A 12 LEU CD2 . 19664 1 20 . 1 1 16 16 VAL HG11 H 1 0.676 0.02 . 1 . . . A 16 VAL HG11 . 19664 1 21 . 1 1 16 16 VAL HG12 H 1 0.676 0.02 . 1 . . . A 16 VAL HG12 . 19664 1 22 . 1 1 16 16 VAL HG13 H 1 0.676 0.02 . 1 . . . A 16 VAL HG13 . 19664 1 23 . 1 1 16 16 VAL HG21 H 1 0.605 0.02 . 1 . . . A 16 VAL HG21 . 19664 1 24 . 1 1 16 16 VAL HG22 H 1 0.605 0.02 . 1 . . . A 16 VAL HG22 . 19664 1 25 . 1 1 16 16 VAL HG23 H 1 0.605 0.02 . 1 . . . A 16 VAL HG23 . 19664 1 26 . 1 1 16 16 VAL CG1 C 13 20.859 0.20 . 1 . . . A 16 VAL CG1 . 19664 1 27 . 1 1 16 16 VAL CG2 C 13 20.685 0.20 . 1 . . . A 16 VAL CG2 . 19664 1 28 . 1 1 17 17 ALA HB1 H 1 1.167 0.02 . 1 . . . A 17 ALA HB1 . 19664 1 29 . 1 1 17 17 ALA HB2 H 1 1.167 0.02 . 1 . . . A 17 ALA HB2 . 19664 1 30 . 1 1 17 17 ALA HB3 H 1 1.167 0.02 . 1 . . . A 17 ALA HB3 . 19664 1 31 . 1 1 17 17 ALA CB C 13 17.873 0.20 . 1 . . . A 17 ALA CB . 19664 1 32 . 1 1 19 19 ALA HB1 H 1 0.961 0.02 . 1 . . . A 19 ALA HB1 . 19664 1 33 . 1 1 19 19 ALA HB2 H 1 0.961 0.02 . 1 . . . A 19 ALA HB2 . 19664 1 34 . 1 1 19 19 ALA HB3 H 1 0.961 0.02 . 1 . . . A 19 ALA HB3 . 19664 1 35 . 1 1 19 19 ALA CB C 13 16.491 0.20 . 1 . . . A 19 ALA CB . 19664 1 36 . 1 1 22 22 VAL HG11 H 1 0.747 0.02 . 1 . . . A 22 VAL HG11 . 19664 1 37 . 1 1 22 22 VAL HG12 H 1 0.747 0.02 . 1 . . . A 22 VAL HG12 . 19664 1 38 . 1 1 22 22 VAL HG13 H 1 0.747 0.02 . 1 . . . A 22 VAL HG13 . 19664 1 39 . 1 1 22 22 VAL HG21 H 1 0.578 0.02 . 1 . . . A 22 VAL HG21 . 19664 1 40 . 1 1 22 22 VAL HG22 H 1 0.578 0.02 . 1 . . . A 22 VAL HG22 . 19664 1 41 . 1 1 22 22 VAL HG23 H 1 0.578 0.02 . 1 . . . A 22 VAL HG23 . 19664 1 42 . 1 1 22 22 VAL CG1 C 13 22.127 0.20 . 1 . . . A 22 VAL CG1 . 19664 1 43 . 1 1 22 22 VAL CG2 C 13 20.607 0.20 . 1 . . . A 22 VAL CG2 . 19664 1 44 . 1 1 23 23 LEU HD11 H 1 -0.381 0.02 . 1 . . . A 23 LEU HD11 . 19664 1 45 . 1 1 23 23 LEU HD12 H 1 -0.381 0.02 . 1 . . . A 23 LEU HD12 . 19664 1 46 . 1 1 23 23 LEU HD13 H 1 -0.381 0.02 . 1 . . . A 23 LEU HD13 . 19664 1 47 . 1 1 23 23 LEU HD21 H 1 0.314 0.02 . 1 . . . A 23 LEU HD21 . 19664 1 48 . 1 1 23 23 LEU HD22 H 1 0.314 0.02 . 1 . . . A 23 LEU HD22 . 19664 1 49 . 1 1 23 23 LEU HD23 H 1 0.314 0.02 . 1 . . . A 23 LEU HD23 . 19664 1 50 . 1 1 23 23 LEU CD1 C 13 21.507 0.20 . 1 . . . A 23 LEU CD1 . 19664 1 51 . 1 1 23 23 LEU CD2 C 13 25.536 0.20 . 1 . . . A 23 LEU CD2 . 19664 1 52 . 1 1 39 39 VAL HG11 H 1 0.697 0.02 . 1 . . . A 39 VAL HG11 . 19664 1 53 . 1 1 39 39 VAL HG12 H 1 0.697 0.02 . 1 . . . A 39 VAL HG12 . 19664 1 54 . 1 1 39 39 VAL HG13 H 1 0.697 0.02 . 1 . . . A 39 VAL HG13 . 19664 1 55 . 1 1 39 39 VAL HG21 H 1 0.581 0.02 . 1 . . . A 39 VAL HG21 . 19664 1 56 . 1 1 39 39 VAL HG22 H 1 0.581 0.02 . 1 . . . A 39 VAL HG22 . 19664 1 57 . 1 1 39 39 VAL HG23 H 1 0.581 0.02 . 1 . . . A 39 VAL HG23 . 19664 1 58 . 1 1 39 39 VAL CG1 C 13 19.887 0.20 . 1 . . . A 39 VAL CG1 . 19664 1 59 . 1 1 39 39 VAL CG2 C 13 20.363 0.20 . 1 . . . A 39 VAL CG2 . 19664 1 60 . 1 1 40 40 LEU HD11 H 1 0.645 0.02 . 1 . . . A 40 LEU HD11 . 19664 1 61 . 1 1 40 40 LEU HD12 H 1 0.645 0.02 . 1 . . . A 40 LEU HD12 . 19664 1 62 . 1 1 40 40 LEU HD13 H 1 0.645 0.02 . 1 . . . A 40 LEU HD13 . 19664 1 63 . 1 1 40 40 LEU HD21 H 1 0.589 0.02 . 1 . . . A 40 LEU HD21 . 19664 1 64 . 1 1 40 40 LEU HD22 H 1 0.589 0.02 . 1 . . . A 40 LEU HD22 . 19664 1 65 . 1 1 40 40 LEU HD23 H 1 0.589 0.02 . 1 . . . A 40 LEU HD23 . 19664 1 66 . 1 1 40 40 LEU CD1 C 13 25.160 0.20 . 1 . . . A 40 LEU CD1 . 19664 1 67 . 1 1 40 40 LEU CD2 C 13 22.351 0.20 . 1 . . . A 40 LEU CD2 . 19664 1 68 . 1 1 42 42 ILE HG21 H 1 -0.250 0.02 . 1 . . . A 42 ILE HG21 . 19664 1 69 . 1 1 42 42 ILE HG22 H 1 -0.250 0.02 . 1 . . . A 42 ILE HG22 . 19664 1 70 . 1 1 42 42 ILE HG23 H 1 -0.250 0.02 . 1 . . . A 42 ILE HG23 . 19664 1 71 . 1 1 42 42 ILE HD11 H 1 -0.059 0.02 . 1 . . . A 42 ILE HD11 . 19664 1 72 . 1 1 42 42 ILE HD12 H 1 -0.059 0.02 . 1 . . . A 42 ILE HD12 . 19664 1 73 . 1 1 42 42 ILE HD13 H 1 -0.059 0.02 . 1 . . . A 42 ILE HD13 . 19664 1 74 . 1 1 42 42 ILE CG2 C 13 17.075 0.20 . 1 . . . A 42 ILE CG2 . 19664 1 75 . 1 1 42 42 ILE CD1 C 13 10.477 0.20 . 1 . . . A 42 ILE CD1 . 19664 1 76 . 1 1 46 46 VAL HG11 H 1 0.799 0.02 . 1 . . . A 46 VAL HG11 . 19664 1 77 . 1 1 46 46 VAL HG12 H 1 0.799 0.02 . 1 . . . A 46 VAL HG12 . 19664 1 78 . 1 1 46 46 VAL HG13 H 1 0.799 0.02 . 1 . . . A 46 VAL HG13 . 19664 1 79 . 1 1 46 46 VAL HG21 H 1 0.852 0.02 . 1 . . . A 46 VAL HG21 . 19664 1 80 . 1 1 46 46 VAL HG22 H 1 0.852 0.02 . 1 . . . A 46 VAL HG22 . 19664 1 81 . 1 1 46 46 VAL HG23 H 1 0.852 0.02 . 1 . . . A 46 VAL HG23 . 19664 1 82 . 1 1 46 46 VAL CG1 C 13 21.660 0.20 . 1 . . . A 46 VAL CG1 . 19664 1 83 . 1 1 46 46 VAL CG2 C 13 22.913 0.20 . 1 . . . A 46 VAL CG2 . 19664 1 84 . 1 1 50 50 LEU HD11 H 1 0.600 0.02 . 1 . . . A 50 LEU HD11 . 19664 1 85 . 1 1 50 50 LEU HD12 H 1 0.600 0.02 . 1 . . . A 50 LEU HD12 . 19664 1 86 . 1 1 50 50 LEU HD13 H 1 0.600 0.02 . 1 . . . A 50 LEU HD13 . 19664 1 87 . 1 1 50 50 LEU HD21 H 1 0.546 0.02 . 1 . . . A 50 LEU HD21 . 19664 1 88 . 1 1 50 50 LEU HD22 H 1 0.546 0.02 . 1 . . . A 50 LEU HD22 . 19664 1 89 . 1 1 50 50 LEU HD23 H 1 0.546 0.02 . 1 . . . A 50 LEU HD23 . 19664 1 90 . 1 1 50 50 LEU CD1 C 13 25.175 0.20 . 1 . . . A 50 LEU CD1 . 19664 1 91 . 1 1 50 50 LEU CD2 C 13 22.094 0.20 . 1 . . . A 50 LEU CD2 . 19664 1 92 . 1 1 54 54 VAL HG11 H 1 0.658 0.02 . 1 . . . A 54 VAL HG11 . 19664 1 93 . 1 1 54 54 VAL HG12 H 1 0.658 0.02 . 1 . . . A 54 VAL HG12 . 19664 1 94 . 1 1 54 54 VAL HG13 H 1 0.658 0.02 . 1 . . . A 54 VAL HG13 . 19664 1 95 . 1 1 54 54 VAL HG21 H 1 0.657 0.02 . 1 . . . A 54 VAL HG21 . 19664 1 96 . 1 1 54 54 VAL HG22 H 1 0.657 0.02 . 1 . . . A 54 VAL HG22 . 19664 1 97 . 1 1 54 54 VAL HG23 H 1 0.657 0.02 . 1 . . . A 54 VAL HG23 . 19664 1 98 . 1 1 54 54 VAL CG1 C 13 21.294 0.20 . 1 . . . A 54 VAL CG1 . 19664 1 99 . 1 1 54 54 VAL CG2 C 13 21.532 0.20 . 1 . . . A 54 VAL CG2 . 19664 1 100 . 1 1 56 56 MET HE1 H 1 1.937 0.02 . 1 . . . A 56 MET HE1 . 19664 1 101 . 1 1 56 56 MET HE2 H 1 1.937 0.02 . 1 . . . A 56 MET HE2 . 19664 1 102 . 1 1 56 56 MET HE3 H 1 1.937 0.02 . 1 . . . A 56 MET HE3 . 19664 1 103 . 1 1 56 56 MET CE C 13 17.178 0.20 . 1 . . . A 56 MET CE . 19664 1 104 . 1 1 57 57 THR HG21 H 1 0.628 0.02 . 1 . . . A 57 THR HG21 . 19664 1 105 . 1 1 57 57 THR HG22 H 1 0.628 0.02 . 1 . . . A 57 THR HG22 . 19664 1 106 . 1 1 57 57 THR HG23 H 1 0.628 0.02 . 1 . . . A 57 THR HG23 . 19664 1 107 . 1 1 57 57 THR CG2 C 13 21.706 0.20 . 1 . . . A 57 THR CG2 . 19664 1 108 . 1 1 61 61 VAL HG11 H 1 0.499 0.02 . 1 . . . A 61 VAL HG11 . 19664 1 109 . 1 1 61 61 VAL HG12 H 1 0.499 0.02 . 1 . . . A 61 VAL HG12 . 19664 1 110 . 1 1 61 61 VAL HG13 H 1 0.499 0.02 . 1 . . . A 61 VAL HG13 . 19664 1 111 . 1 1 61 61 VAL HG21 H 1 -0.280 0.02 . 1 . . . A 61 VAL HG21 . 19664 1 112 . 1 1 61 61 VAL HG22 H 1 -0.280 0.02 . 1 . . . A 61 VAL HG22 . 19664 1 113 . 1 1 61 61 VAL HG23 H 1 -0.280 0.02 . 1 . . . A 61 VAL HG23 . 19664 1 114 . 1 1 61 61 VAL CG1 C 13 20.925 0.20 . 1 . . . A 61 VAL CG1 . 19664 1 115 . 1 1 61 61 VAL CG2 C 13 17.050 0.20 . 1 . . . A 61 VAL CG2 . 19664 1 116 . 1 1 64 64 MET HE1 H 1 1.936 0.02 . 1 . . . A 64 MET HE1 . 19664 1 117 . 1 1 64 64 MET HE2 H 1 1.936 0.02 . 1 . . . A 64 MET HE2 . 19664 1 118 . 1 1 64 64 MET HE3 H 1 1.936 0.02 . 1 . . . A 64 MET HE3 . 19664 1 119 . 1 1 64 64 MET CE C 13 17.032 0.20 . 1 . . . A 64 MET CE . 19664 1 120 . 1 1 68 68 LEU HD11 H 1 0.726 0.02 . 1 . . . A 68 LEU HD11 . 19664 1 121 . 1 1 68 68 LEU HD12 H 1 0.726 0.02 . 1 . . . A 68 LEU HD12 . 19664 1 122 . 1 1 68 68 LEU HD13 H 1 0.726 0.02 . 1 . . . A 68 LEU HD13 . 19664 1 123 . 1 1 68 68 LEU HD21 H 1 0.771 0.02 . 1 . . . A 68 LEU HD21 . 19664 1 124 . 1 1 68 68 LEU HD22 H 1 0.771 0.02 . 1 . . . A 68 LEU HD22 . 19664 1 125 . 1 1 68 68 LEU HD23 H 1 0.771 0.02 . 1 . . . A 68 LEU HD23 . 19664 1 126 . 1 1 68 68 LEU CD1 C 13 22.799 0.20 . 1 . . . A 68 LEU CD1 . 19664 1 127 . 1 1 68 68 LEU CD2 C 13 24.613 0.20 . 1 . . . A 68 LEU CD2 . 19664 1 128 . 1 1 72 72 LEU HD11 H 1 0.805 0.02 . 1 . . . A 72 LEU HD11 . 19664 1 129 . 1 1 72 72 LEU HD12 H 1 0.805 0.02 . 1 . . . A 72 LEU HD12 . 19664 1 130 . 1 1 72 72 LEU HD13 H 1 0.805 0.02 . 1 . . . A 72 LEU HD13 . 19664 1 131 . 1 1 72 72 LEU HD21 H 1 0.568 0.02 . 1 . . . A 72 LEU HD21 . 19664 1 132 . 1 1 72 72 LEU HD22 H 1 0.568 0.02 . 1 . . . A 72 LEU HD22 . 19664 1 133 . 1 1 72 72 LEU HD23 H 1 0.568 0.02 . 1 . . . A 72 LEU HD23 . 19664 1 134 . 1 1 72 72 LEU CD1 C 13 26.500 0.20 . 1 . . . A 72 LEU CD1 . 19664 1 135 . 1 1 72 72 LEU CD2 C 13 22.978 0.20 . 1 . . . A 72 LEU CD2 . 19664 1 136 . 1 1 73 73 THR HG21 H 1 1.103 0.02 . 1 . . . A 73 THR HG21 . 19664 1 137 . 1 1 73 73 THR HG22 H 1 1.103 0.02 . 1 . . . A 73 THR HG22 . 19664 1 138 . 1 1 73 73 THR HG23 H 1 1.103 0.02 . 1 . . . A 73 THR HG23 . 19664 1 139 . 1 1 73 73 THR CG2 C 13 21.024 0.20 . 1 . . . A 73 THR CG2 . 19664 1 140 . 1 1 75 75 ALA HB1 H 1 1.720 0.02 . 1 . . . A 75 ALA HB1 . 19664 1 141 . 1 1 75 75 ALA HB2 H 1 1.720 0.02 . 1 . . . A 75 ALA HB2 . 19664 1 142 . 1 1 75 75 ALA HB3 H 1 1.720 0.02 . 1 . . . A 75 ALA HB3 . 19664 1 143 . 1 1 75 75 ALA CB C 13 19.179 0.20 . 1 . . . A 75 ALA CB . 19664 1 144 . 1 1 77 77 ALA HB1 H 1 1.351 0.02 . 1 . . . A 77 ALA HB1 . 19664 1 145 . 1 1 77 77 ALA HB2 H 1 1.351 0.02 . 1 . . . A 77 ALA HB2 . 19664 1 146 . 1 1 77 77 ALA HB3 H 1 1.351 0.02 . 1 . . . A 77 ALA HB3 . 19664 1 147 . 1 1 77 77 ALA CB C 13 19.432 0.20 . 1 . . . A 77 ALA CB . 19664 1 148 . 1 1 78 78 VAL HG11 H 1 0.454 0.02 . 1 . . . A 78 VAL HG11 . 19664 1 149 . 1 1 78 78 VAL HG12 H 1 0.454 0.02 . 1 . . . A 78 VAL HG12 . 19664 1 150 . 1 1 78 78 VAL HG13 H 1 0.454 0.02 . 1 . . . A 78 VAL HG13 . 19664 1 151 . 1 1 78 78 VAL HG21 H 1 0.595 0.02 . 1 . . . A 78 VAL HG21 . 19664 1 152 . 1 1 78 78 VAL HG22 H 1 0.595 0.02 . 1 . . . A 78 VAL HG22 . 19664 1 153 . 1 1 78 78 VAL HG23 H 1 0.595 0.02 . 1 . . . A 78 VAL HG23 . 19664 1 154 . 1 1 78 78 VAL CG1 C 13 21.557 0.20 . 1 . . . A 78 VAL CG1 . 19664 1 155 . 1 1 78 78 VAL CG2 C 13 22.924 0.20 . 1 . . . A 78 VAL CG2 . 19664 1 156 . 1 1 79 79 ALA HB1 H 1 0.986 0.02 . 1 . . . A 79 ALA HB1 . 19664 1 157 . 1 1 79 79 ALA HB2 H 1 0.986 0.02 . 1 . . . A 79 ALA HB2 . 19664 1 158 . 1 1 79 79 ALA HB3 H 1 0.986 0.02 . 1 . . . A 79 ALA HB3 . 19664 1 159 . 1 1 79 79 ALA CB C 13 16.937 0.20 . 1 . . . A 79 ALA CB . 19664 1 160 . 1 1 80 80 MET HE1 H 1 1.975 0.02 . 1 . . . A 80 MET HE1 . 19664 1 161 . 1 1 80 80 MET HE2 H 1 1.975 0.02 . 1 . . . A 80 MET HE2 . 19664 1 162 . 1 1 80 80 MET HE3 H 1 1.975 0.02 . 1 . . . A 80 MET HE3 . 19664 1 163 . 1 1 80 80 MET CE C 13 16.358 0.20 . 1 . . . A 80 MET CE . 19664 1 164 . 1 1 81 81 ALA HB1 H 1 1.127 0.02 . 1 . . . A 81 ALA HB1 . 19664 1 165 . 1 1 81 81 ALA HB2 H 1 1.127 0.02 . 1 . . . A 81 ALA HB2 . 19664 1 166 . 1 1 81 81 ALA HB3 H 1 1.127 0.02 . 1 . . . A 81 ALA HB3 . 19664 1 167 . 1 1 81 81 ALA CB C 13 17.326 0.20 . 1 . . . A 81 ALA CB . 19664 1 168 . 1 1 82 82 LEU HD11 H 1 0.638 0.02 . 1 . . . A 82 LEU HD11 . 19664 1 169 . 1 1 82 82 LEU HD12 H 1 0.638 0.02 . 1 . . . A 82 LEU HD12 . 19664 1 170 . 1 1 82 82 LEU HD13 H 1 0.638 0.02 . 1 . . . A 82 LEU HD13 . 19664 1 171 . 1 1 82 82 LEU HD21 H 1 0.663 0.02 . 1 . . . A 82 LEU HD21 . 19664 1 172 . 1 1 82 82 LEU HD22 H 1 0.663 0.02 . 1 . . . A 82 LEU HD22 . 19664 1 173 . 1 1 82 82 LEU HD23 H 1 0.663 0.02 . 1 . . . A 82 LEU HD23 . 19664 1 174 . 1 1 82 82 LEU CD1 C 13 25.260 0.20 . 1 . . . A 82 LEU CD1 . 19664 1 175 . 1 1 82 82 LEU CD2 C 13 21.064 0.20 . 1 . . . A 82 LEU CD2 . 19664 1 176 . 1 1 84 84 VAL HG11 H 1 0.695 0.02 . 1 . . . A 84 VAL HG11 . 19664 1 177 . 1 1 84 84 VAL HG12 H 1 0.695 0.02 . 1 . . . A 84 VAL HG12 . 19664 1 178 . 1 1 84 84 VAL HG13 H 1 0.695 0.02 . 1 . . . A 84 VAL HG13 . 19664 1 179 . 1 1 84 84 VAL HG21 H 1 0.726 0.02 . 1 . . . A 84 VAL HG21 . 19664 1 180 . 1 1 84 84 VAL HG22 H 1 0.726 0.02 . 1 . . . A 84 VAL HG22 . 19664 1 181 . 1 1 84 84 VAL HG23 H 1 0.726 0.02 . 1 . . . A 84 VAL HG23 . 19664 1 182 . 1 1 84 84 VAL CG1 C 13 19.700 0.20 . 1 . . . A 84 VAL CG1 . 19664 1 183 . 1 1 84 84 VAL CG2 C 13 18.418 0.20 . 1 . . . A 84 VAL CG2 . 19664 1 184 . 1 1 88 88 VAL HG11 H 1 -0.276 0.02 . 1 . . . A 88 VAL HG11 . 19664 1 185 . 1 1 88 88 VAL HG12 H 1 -0.276 0.02 . 1 . . . A 88 VAL HG12 . 19664 1 186 . 1 1 88 88 VAL HG13 H 1 -0.276 0.02 . 1 . . . A 88 VAL HG13 . 19664 1 187 . 1 1 88 88 VAL HG21 H 1 0.542 0.02 . 1 . . . A 88 VAL HG21 . 19664 1 188 . 1 1 88 88 VAL HG22 H 1 0.542 0.02 . 1 . . . A 88 VAL HG22 . 19664 1 189 . 1 1 88 88 VAL HG23 H 1 0.542 0.02 . 1 . . . A 88 VAL HG23 . 19664 1 190 . 1 1 88 88 VAL CG1 C 13 18.752 0.20 . 1 . . . A 88 VAL CG1 . 19664 1 191 . 1 1 88 88 VAL CG2 C 13 16.984 0.20 . 1 . . . A 88 VAL CG2 . 19664 1 192 . 1 1 89 89 THR HG21 H 1 1.268 0.02 . 1 . . . A 89 THR HG21 . 19664 1 193 . 1 1 89 89 THR HG22 H 1 1.268 0.02 . 1 . . . A 89 THR HG22 . 19664 1 194 . 1 1 89 89 THR HG23 H 1 1.268 0.02 . 1 . . . A 89 THR HG23 . 19664 1 195 . 1 1 89 89 THR CG2 C 13 20.443 0.20 . 1 . . . A 89 THR CG2 . 19664 1 196 . 1 1 90 90 VAL HG11 H 1 0.841 0.02 . 1 . . . A 90 VAL HG11 . 19664 1 197 . 1 1 90 90 VAL HG12 H 1 0.841 0.02 . 1 . . . A 90 VAL HG12 . 19664 1 198 . 1 1 90 90 VAL HG13 H 1 0.841 0.02 . 1 . . . A 90 VAL HG13 . 19664 1 199 . 1 1 90 90 VAL HG21 H 1 0.988 0.02 . 1 . . . A 90 VAL HG21 . 19664 1 200 . 1 1 90 90 VAL HG22 H 1 0.988 0.02 . 1 . . . A 90 VAL HG22 . 19664 1 201 . 1 1 90 90 VAL HG23 H 1 0.988 0.02 . 1 . . . A 90 VAL HG23 . 19664 1 202 . 1 1 90 90 VAL CG1 C 13 20.571 0.20 . 1 . . . A 90 VAL CG1 . 19664 1 203 . 1 1 90 90 VAL CG2 C 13 23.368 0.20 . 1 . . . A 90 VAL CG2 . 19664 1 204 . 1 1 92 92 LEU HD11 H 1 0.345 0.02 . 1 . . . A 92 LEU HD11 . 19664 1 205 . 1 1 92 92 LEU HD12 H 1 0.345 0.02 . 1 . . . A 92 LEU HD12 . 19664 1 206 . 1 1 92 92 LEU HD13 H 1 0.345 0.02 . 1 . . . A 92 LEU HD13 . 19664 1 207 . 1 1 92 92 LEU HD21 H 1 0.413 0.02 . 1 . . . A 92 LEU HD21 . 19664 1 208 . 1 1 92 92 LEU HD22 H 1 0.413 0.02 . 1 . . . A 92 LEU HD22 . 19664 1 209 . 1 1 92 92 LEU HD23 H 1 0.413 0.02 . 1 . . . A 92 LEU HD23 . 19664 1 210 . 1 1 92 92 LEU CD1 C 13 25.070 0.20 . 1 . . . A 92 LEU CD1 . 19664 1 211 . 1 1 92 92 LEU CD2 C 13 22.335 0.20 . 1 . . . A 92 LEU CD2 . 19664 1 212 . 1 1 96 96 VAL HG11 H 1 0.006 0.02 . 1 . . . A 96 VAL HG11 . 19664 1 213 . 1 1 96 96 VAL HG12 H 1 0.006 0.02 . 1 . . . A 96 VAL HG12 . 19664 1 214 . 1 1 96 96 VAL HG13 H 1 0.006 0.02 . 1 . . . A 96 VAL HG13 . 19664 1 215 . 1 1 96 96 VAL HG21 H 1 0.479 0.02 . 1 . . . A 96 VAL HG21 . 19664 1 216 . 1 1 96 96 VAL HG22 H 1 0.479 0.02 . 1 . . . A 96 VAL HG22 . 19664 1 217 . 1 1 96 96 VAL HG23 H 1 0.479 0.02 . 1 . . . A 96 VAL HG23 . 19664 1 218 . 1 1 96 96 VAL CG1 C 13 21.394 0.20 . 1 . . . A 96 VAL CG1 . 19664 1 219 . 1 1 96 96 VAL CG2 C 13 22.511 0.20 . 1 . . . A 96 VAL CG2 . 19664 1 220 . 1 1 99 99 THR HG21 H 1 0.993 0.02 . 1 . . . A 99 THR HG21 . 19664 1 221 . 1 1 99 99 THR HG22 H 1 0.993 0.02 . 1 . . . A 99 THR HG22 . 19664 1 222 . 1 1 99 99 THR HG23 H 1 0.993 0.02 . 1 . . . A 99 THR HG23 . 19664 1 223 . 1 1 99 99 THR CG2 C 13 21.301 0.20 . 1 . . . A 99 THR CG2 . 19664 1 224 . 1 1 101 101 THR HG21 H 1 0.972 0.02 . 1 . . . A 101 THR HG21 . 19664 1 225 . 1 1 101 101 THR HG22 H 1 0.972 0.02 . 1 . . . A 101 THR HG22 . 19664 1 226 . 1 1 101 101 THR HG23 H 1 0.972 0.02 . 1 . . . A 101 THR HG23 . 19664 1 227 . 1 1 101 101 THR CG2 C 13 21.867 0.20 . 1 . . . A 101 THR CG2 . 19664 1 228 . 1 1 102 102 ILE HG21 H 1 0.517 0.02 . 1 . . . A 102 ILE HG21 . 19664 1 229 . 1 1 102 102 ILE HG22 H 1 0.517 0.02 . 1 . . . A 102 ILE HG22 . 19664 1 230 . 1 1 102 102 ILE HG23 H 1 0.517 0.02 . 1 . . . A 102 ILE HG23 . 19664 1 231 . 1 1 102 102 ILE HD11 H 1 0.619 0.02 . 1 . . . A 102 ILE HD11 . 19664 1 232 . 1 1 102 102 ILE HD12 H 1 0.619 0.02 . 1 . . . A 102 ILE HD12 . 19664 1 233 . 1 1 102 102 ILE HD13 H 1 0.619 0.02 . 1 . . . A 102 ILE HD13 . 19664 1 234 . 1 1 102 102 ILE CG2 C 13 16.630 0.20 . 1 . . . A 102 ILE CG2 . 19664 1 235 . 1 1 102 102 ILE CD1 C 13 13.644 0.20 . 1 . . . A 102 ILE CD1 . 19664 1 236 . 1 1 105 105 ALA HB1 H 1 1.154 0.02 . 1 . . . A 105 ALA HB1 . 19664 1 237 . 1 1 105 105 ALA HB2 H 1 1.154 0.02 . 1 . . . A 105 ALA HB2 . 19664 1 238 . 1 1 105 105 ALA HB3 H 1 1.154 0.02 . 1 . . . A 105 ALA HB3 . 19664 1 239 . 1 1 105 105 ALA CB C 13 16.155 0.20 . 1 . . . A 105 ALA CB . 19664 1 240 . 1 1 108 108 ILE HG21 H 1 0.880 0.02 . 1 . . . A 108 ILE HG21 . 19664 1 241 . 1 1 108 108 ILE HG22 H 1 0.880 0.02 . 1 . . . A 108 ILE HG22 . 19664 1 242 . 1 1 108 108 ILE HG23 H 1 0.880 0.02 . 1 . . . A 108 ILE HG23 . 19664 1 243 . 1 1 108 108 ILE HD11 H 1 0.642 0.02 . 1 . . . A 108 ILE HD11 . 19664 1 244 . 1 1 108 108 ILE HD12 H 1 0.642 0.02 . 1 . . . A 108 ILE HD12 . 19664 1 245 . 1 1 108 108 ILE HD13 H 1 0.642 0.02 . 1 . . . A 108 ILE HD13 . 19664 1 246 . 1 1 108 108 ILE CG2 C 13 17.754 0.20 . 1 . . . A 108 ILE CG2 . 19664 1 247 . 1 1 108 108 ILE CD1 C 13 14.310 0.20 . 1 . . . A 108 ILE CD1 . 19664 1 248 . 1 1 111 111 VAL HG11 H 1 0.523 0.02 . 1 . . . A 111 VAL HG11 . 19664 1 249 . 1 1 111 111 VAL HG12 H 1 0.523 0.02 . 1 . . . A 111 VAL HG12 . 19664 1 250 . 1 1 111 111 VAL HG13 H 1 0.523 0.02 . 1 . . . A 111 VAL HG13 . 19664 1 251 . 1 1 111 111 VAL HG21 H 1 0.828 0.02 . 1 . . . A 111 VAL HG21 . 19664 1 252 . 1 1 111 111 VAL HG22 H 1 0.828 0.02 . 1 . . . A 111 VAL HG22 . 19664 1 253 . 1 1 111 111 VAL HG23 H 1 0.828 0.02 . 1 . . . A 111 VAL HG23 . 19664 1 254 . 1 1 111 111 VAL CG1 C 13 20.830 0.20 . 1 . . . A 111 VAL CG1 . 19664 1 255 . 1 1 111 111 VAL CG2 C 13 22.655 0.20 . 1 . . . A 111 VAL CG2 . 19664 1 256 . 1 1 113 113 ILE HG21 H 1 0.715 0.02 . 1 . . . A 113 ILE HG21 . 19664 1 257 . 1 1 113 113 ILE HG22 H 1 0.715 0.02 . 1 . . . A 113 ILE HG22 . 19664 1 258 . 1 1 113 113 ILE HG23 H 1 0.715 0.02 . 1 . . . A 113 ILE HG23 . 19664 1 259 . 1 1 113 113 ILE HD11 H 1 0.561 0.02 . 1 . . . A 113 ILE HD11 . 19664 1 260 . 1 1 113 113 ILE HD12 H 1 0.561 0.02 . 1 . . . A 113 ILE HD12 . 19664 1 261 . 1 1 113 113 ILE HD13 H 1 0.561 0.02 . 1 . . . A 113 ILE HD13 . 19664 1 262 . 1 1 113 113 ILE CG2 C 13 16.232 0.20 . 1 . . . A 113 ILE CG2 . 19664 1 263 . 1 1 113 113 ILE CD1 C 13 12.616 0.20 . 1 . . . A 113 ILE CD1 . 19664 1 264 . 1 1 115 115 ALA HB1 H 1 1.163 0.02 . 1 . . . A 115 ALA HB1 . 19664 1 265 . 1 1 115 115 ALA HB2 H 1 1.163 0.02 . 1 . . . A 115 ALA HB2 . 19664 1 266 . 1 1 115 115 ALA HB3 H 1 1.163 0.02 . 1 . . . A 115 ALA HB3 . 19664 1 267 . 1 1 115 115 ALA CB C 13 18.567 0.20 . 1 . . . A 115 ALA CB . 19664 1 268 . 1 1 117 117 ILE HG21 H 1 0.916 0.02 . 1 . . . A 117 ILE HG21 . 19664 1 269 . 1 1 117 117 ILE HG22 H 1 0.916 0.02 . 1 . . . A 117 ILE HG22 . 19664 1 270 . 1 1 117 117 ILE HG23 H 1 0.916 0.02 . 1 . . . A 117 ILE HG23 . 19664 1 271 . 1 1 117 117 ILE HD11 H 1 0.758 0.02 . 1 . . . A 117 ILE HD11 . 19664 1 272 . 1 1 117 117 ILE HD12 H 1 0.758 0.02 . 1 . . . A 117 ILE HD12 . 19664 1 273 . 1 1 117 117 ILE HD13 H 1 0.758 0.02 . 1 . . . A 117 ILE HD13 . 19664 1 274 . 1 1 117 117 ILE CG2 C 13 19.317 0.20 . 1 . . . A 117 ILE CG2 . 19664 1 275 . 1 1 117 117 ILE CD1 C 13 13.128 0.20 . 1 . . . A 117 ILE CD1 . 19664 1 276 . 1 1 124 124 ALA CB C 13 17.544 0.20 . 1 . . . A 124 ALA CB . 19664 1 277 . 1 1 125 125 ALA HB1 H 1 1.237 0.02 . 1 . . . A 125 ALA HB1 . 19664 1 278 . 1 1 125 125 ALA HB2 H 1 1.237 0.02 . 1 . . . A 125 ALA HB2 . 19664 1 279 . 1 1 125 125 ALA HB3 H 1 1.237 0.02 . 1 . . . A 125 ALA HB3 . 19664 1 280 . 1 1 125 125 ALA CB C 13 17.584 0.20 . 1 . . . A 125 ALA CB . 19664 1 281 . 1 1 130 130 VAL HG11 H 1 0.770 0.02 . 1 . . . A 130 VAL HG11 . 19664 1 282 . 1 1 130 130 VAL HG12 H 1 0.770 0.02 . 1 . . . A 130 VAL HG12 . 19664 1 283 . 1 1 130 130 VAL HG13 H 1 0.770 0.02 . 1 . . . A 130 VAL HG13 . 19664 1 284 . 1 1 130 130 VAL HG21 H 1 0.902 0.02 . 1 . . . A 130 VAL HG21 . 19664 1 285 . 1 1 130 130 VAL HG22 H 1 0.902 0.02 . 1 . . . A 130 VAL HG22 . 19664 1 286 . 1 1 130 130 VAL HG23 H 1 0.902 0.02 . 1 . . . A 130 VAL HG23 . 19664 1 287 . 1 1 130 130 VAL CG1 C 13 19.799 0.20 . 1 . . . A 130 VAL CG1 . 19664 1 288 . 1 1 130 130 VAL CG2 C 13 21.685 0.20 . 1 . . . A 130 VAL CG2 . 19664 1 289 . 1 1 131 131 VAL HG11 H 1 0.472 0.02 . 1 . . . A 131 VAL HG11 . 19664 1 290 . 1 1 131 131 VAL HG12 H 1 0.472 0.02 . 1 . . . A 131 VAL HG12 . 19664 1 291 . 1 1 131 131 VAL HG13 H 1 0.472 0.02 . 1 . . . A 131 VAL HG13 . 19664 1 292 . 1 1 131 131 VAL HG21 H 1 0.478 0.02 . 1 . . . A 131 VAL HG21 . 19664 1 293 . 1 1 131 131 VAL HG22 H 1 0.478 0.02 . 1 . . . A 131 VAL HG22 . 19664 1 294 . 1 1 131 131 VAL HG23 H 1 0.478 0.02 . 1 . . . A 131 VAL HG23 . 19664 1 295 . 1 1 131 131 VAL CG1 C 13 19.950 0.20 . 1 . . . A 131 VAL CG1 . 19664 1 296 . 1 1 131 131 VAL CG2 C 13 24.956 0.20 . 1 . . . A 131 VAL CG2 . 19664 1 297 . 1 1 134 134 LEU HD11 H 1 0.731 0.02 . 1 . . . A 134 LEU HD11 . 19664 1 298 . 1 1 134 134 LEU HD12 H 1 0.731 0.02 . 1 . . . A 134 LEU HD12 . 19664 1 299 . 1 1 134 134 LEU HD13 H 1 0.731 0.02 . 1 . . . A 134 LEU HD13 . 19664 1 300 . 1 1 134 134 LEU HD21 H 1 0.749 0.02 . 1 . . . A 134 LEU HD21 . 19664 1 301 . 1 1 134 134 LEU HD22 H 1 0.749 0.02 . 1 . . . A 134 LEU HD22 . 19664 1 302 . 1 1 134 134 LEU HD23 H 1 0.749 0.02 . 1 . . . A 134 LEU HD23 . 19664 1 303 . 1 1 134 134 LEU CD1 C 13 24.968 0.20 . 1 . . . A 134 LEU CD1 . 19664 1 304 . 1 1 134 134 LEU CD2 C 13 21.914 0.20 . 1 . . . A 134 LEU CD2 . 19664 1 305 . 1 1 135 135 VAL HG11 H 1 0.661 0.02 . 1 . . . A 135 VAL HG11 . 19664 1 306 . 1 1 135 135 VAL HG12 H 1 0.661 0.02 . 1 . . . A 135 VAL HG12 . 19664 1 307 . 1 1 135 135 VAL HG13 H 1 0.661 0.02 . 1 . . . A 135 VAL HG13 . 19664 1 308 . 1 1 135 135 VAL HG21 H 1 0.588 0.02 . 1 . . . A 135 VAL HG21 . 19664 1 309 . 1 1 135 135 VAL HG22 H 1 0.588 0.02 . 1 . . . A 135 VAL HG22 . 19664 1 310 . 1 1 135 135 VAL HG23 H 1 0.588 0.02 . 1 . . . A 135 VAL HG23 . 19664 1 311 . 1 1 135 135 VAL CG1 C 13 20.403 0.20 . 1 . . . A 135 VAL CG1 . 19664 1 312 . 1 1 135 135 VAL CG2 C 13 22.969 0.20 . 1 . . . A 135 VAL CG2 . 19664 1 313 . 1 1 136 136 ALA HB1 H 1 1.349 0.02 . 1 . . . A 136 ALA HB1 . 19664 1 314 . 1 1 136 136 ALA HB2 H 1 1.349 0.02 . 1 . . . A 136 ALA HB2 . 19664 1 315 . 1 1 136 136 ALA HB3 H 1 1.349 0.02 . 1 . . . A 136 ALA HB3 . 19664 1 316 . 1 1 136 136 ALA CB C 13 17.104 0.20 . 1 . . . A 136 ALA CB . 19664 1 317 . 1 1 141 141 ALA HB1 H 1 1.728 0.02 . 1 . . . A 141 ALA HB1 . 19664 1 318 . 1 1 141 141 ALA HB2 H 1 1.728 0.02 . 1 . . . A 141 ALA HB2 . 19664 1 319 . 1 1 141 141 ALA HB3 H 1 1.728 0.02 . 1 . . . A 141 ALA HB3 . 19664 1 320 . 1 1 141 141 ALA CB C 13 17.536 0.20 . 1 . . . A 141 ALA CB . 19664 1 321 . 1 1 142 142 ALA HB1 H 1 1.192 0.02 . 1 . . . A 142 ALA HB1 . 19664 1 322 . 1 1 142 142 ALA HB2 H 1 1.192 0.02 . 1 . . . A 142 ALA HB2 . 19664 1 323 . 1 1 142 142 ALA HB3 H 1 1.192 0.02 . 1 . . . A 142 ALA HB3 . 19664 1 324 . 1 1 142 142 ALA CB C 13 17.086 0.20 . 1 . . . A 142 ALA CB . 19664 1 325 . 1 1 143 143 ALA CB C 13 17.397 0.20 . 1 . . . A 143 ALA CB . 19664 1 326 . 1 1 145 145 VAL HG11 H 1 0.105 0.02 . 1 . . . A 145 VAL HG11 . 19664 1 327 . 1 1 145 145 VAL HG12 H 1 0.105 0.02 . 1 . . . A 145 VAL HG12 . 19664 1 328 . 1 1 145 145 VAL HG13 H 1 0.105 0.02 . 1 . . . A 145 VAL HG13 . 19664 1 329 . 1 1 145 145 VAL HG21 H 1 0.217 0.02 . 1 . . . A 145 VAL HG21 . 19664 1 330 . 1 1 145 145 VAL HG22 H 1 0.217 0.02 . 1 . . . A 145 VAL HG22 . 19664 1 331 . 1 1 145 145 VAL HG23 H 1 0.217 0.02 . 1 . . . A 145 VAL HG23 . 19664 1 332 . 1 1 145 145 VAL CG1 C 13 19.473 0.20 . 1 . . . A 145 VAL CG1 . 19664 1 333 . 1 1 145 145 VAL CG2 C 13 18.388 0.20 . 1 . . . A 145 VAL CG2 . 19664 1 334 . 1 1 147 147 LEU HD11 H 1 0.756 0.02 . 1 . . . A 147 LEU HD11 . 19664 1 335 . 1 1 147 147 LEU HD12 H 1 0.756 0.02 . 1 . . . A 147 LEU HD12 . 19664 1 336 . 1 1 147 147 LEU HD13 H 1 0.756 0.02 . 1 . . . A 147 LEU HD13 . 19664 1 337 . 1 1 147 147 LEU HD21 H 1 0.013 0.02 . 1 . . . A 147 LEU HD21 . 19664 1 338 . 1 1 147 147 LEU HD22 H 1 0.013 0.02 . 1 . . . A 147 LEU HD22 . 19664 1 339 . 1 1 147 147 LEU HD23 H 1 0.013 0.02 . 1 . . . A 147 LEU HD23 . 19664 1 340 . 1 1 147 147 LEU CD1 C 13 22.749 0.20 . 1 . . . A 147 LEU CD1 . 19664 1 341 . 1 1 147 147 LEU CD2 C 13 26.260 0.20 . 1 . . . A 147 LEU CD2 . 19664 1 342 . 1 1 150 150 VAL HG11 H 1 0.597 0.02 . 1 . . . A 150 VAL HG11 . 19664 1 343 . 1 1 150 150 VAL HG12 H 1 0.597 0.02 . 1 . . . A 150 VAL HG12 . 19664 1 344 . 1 1 150 150 VAL HG13 H 1 0.597 0.02 . 1 . . . A 150 VAL HG13 . 19664 1 345 . 1 1 150 150 VAL HG21 H 1 0.662 0.02 . 1 . . . A 150 VAL HG21 . 19664 1 346 . 1 1 150 150 VAL HG22 H 1 0.662 0.02 . 1 . . . A 150 VAL HG22 . 19664 1 347 . 1 1 150 150 VAL HG23 H 1 0.662 0.02 . 1 . . . A 150 VAL HG23 . 19664 1 348 . 1 1 150 150 VAL CG1 C 13 25.022 0.20 . 1 . . . A 150 VAL CG1 . 19664 1 349 . 1 1 150 150 VAL CG2 C 13 18.023 0.20 . 1 . . . A 150 VAL CG2 . 19664 1 350 . 1 1 152 152 ALA HB1 H 1 1.550 0.02 . 1 . . . A 152 ALA HB1 . 19664 1 351 . 1 1 152 152 ALA HB2 H 1 1.550 0.02 . 1 . . . A 152 ALA HB2 . 19664 1 352 . 1 1 152 152 ALA HB3 H 1 1.550 0.02 . 1 . . . A 152 ALA HB3 . 19664 1 353 . 1 1 152 152 ALA CB C 13 24.473 0.20 . 1 . . . A 152 ALA CB . 19664 1 354 . 1 1 153 153 MET HE1 H 1 1.990 0.02 . 1 . . . A 153 MET HE1 . 19664 1 355 . 1 1 153 153 MET HE2 H 1 1.990 0.02 . 1 . . . A 153 MET HE2 . 19664 1 356 . 1 1 153 153 MET HE3 H 1 1.990 0.02 . 1 . . . A 153 MET HE3 . 19664 1 357 . 1 1 153 153 MET CE C 13 16.338 0.20 . 1 . . . A 153 MET CE . 19664 1 358 . 1 1 155 155 VAL HG11 H 1 0.768 0.02 . 1 . . . A 155 VAL HG11 . 19664 1 359 . 1 1 155 155 VAL HG12 H 1 0.768 0.02 . 1 . . . A 155 VAL HG12 . 19664 1 360 . 1 1 155 155 VAL HG13 H 1 0.768 0.02 . 1 . . . A 155 VAL HG13 . 19664 1 361 . 1 1 155 155 VAL HG21 H 1 0.750 0.02 . 1 . . . A 155 VAL HG21 . 19664 1 362 . 1 1 155 155 VAL HG22 H 1 0.750 0.02 . 1 . . . A 155 VAL HG22 . 19664 1 363 . 1 1 155 155 VAL HG23 H 1 0.750 0.02 . 1 . . . A 155 VAL HG23 . 19664 1 364 . 1 1 155 155 VAL CG1 C 13 19.625 0.20 . 1 . . . A 155 VAL CG1 . 19664 1 365 . 1 1 155 155 VAL CG2 C 13 22.068 0.20 . 1 . . . A 155 VAL CG2 . 19664 1 366 . 1 1 161 161 LEU HD11 H 1 0.204 0.02 . 1 . . . A 161 LEU HD11 . 19664 1 367 . 1 1 161 161 LEU HD12 H 1 0.204 0.02 . 1 . . . A 161 LEU HD12 . 19664 1 368 . 1 1 161 161 LEU HD13 H 1 0.204 0.02 . 1 . . . A 161 LEU HD13 . 19664 1 369 . 1 1 161 161 LEU HD21 H 1 0.296 0.02 . 1 . . . A 161 LEU HD21 . 19664 1 370 . 1 1 161 161 LEU HD22 H 1 0.296 0.02 . 1 . . . A 161 LEU HD22 . 19664 1 371 . 1 1 161 161 LEU HD23 H 1 0.296 0.02 . 1 . . . A 161 LEU HD23 . 19664 1 372 . 1 1 161 161 LEU CD1 C 13 23.488 0.20 . 1 . . . A 161 LEU CD1 . 19664 1 373 . 1 1 161 161 LEU CD2 C 13 22.457 0.20 . 1 . . . A 161 LEU CD2 . 19664 1 374 . 1 1 166 166 MET HE1 H 1 1.676 0.02 . 1 . . . A 166 MET HE1 . 19664 1 375 . 1 1 166 166 MET HE2 H 1 1.676 0.02 . 1 . . . A 166 MET HE2 . 19664 1 376 . 1 1 166 166 MET HE3 H 1 1.676 0.02 . 1 . . . A 166 MET HE3 . 19664 1 377 . 1 1 166 166 MET CE C 13 18.677 0.20 . 1 . . . A 166 MET CE . 19664 1 378 . 1 1 168 168 THR HG21 H 1 0.736 0.02 . 1 . . . A 168 THR HG21 . 19664 1 379 . 1 1 168 168 THR HG22 H 1 0.736 0.02 . 1 . . . A 168 THR HG22 . 19664 1 380 . 1 1 168 168 THR HG23 H 1 0.736 0.02 . 1 . . . A 168 THR HG23 . 19664 1 381 . 1 1 168 168 THR CG2 C 13 20.874 0.20 . 1 . . . A 168 THR CG2 . 19664 1 382 . 1 1 171 171 MET HE1 H 1 1.634 0.02 . 1 . . . A 171 MET HE1 . 19664 1 383 . 1 1 171 171 MET HE2 H 1 1.634 0.02 . 1 . . . A 171 MET HE2 . 19664 1 384 . 1 1 171 171 MET HE3 H 1 1.634 0.02 . 1 . . . A 171 MET HE3 . 19664 1 385 . 1 1 171 171 MET CE C 13 17.042 0.20 . 1 . . . A 171 MET CE . 19664 1 386 . 1 1 173 173 VAL HG11 H 1 0.846 0.02 . 1 . . . A 173 VAL HG11 . 19664 1 387 . 1 1 173 173 VAL HG12 H 1 0.846 0.02 . 1 . . . A 173 VAL HG12 . 19664 1 388 . 1 1 173 173 VAL HG13 H 1 0.846 0.02 . 1 . . . A 173 VAL HG13 . 19664 1 389 . 1 1 173 173 VAL HG21 H 1 0.819 0.02 . 1 . . . A 173 VAL HG21 . 19664 1 390 . 1 1 173 173 VAL HG22 H 1 0.819 0.02 . 1 . . . A 173 VAL HG22 . 19664 1 391 . 1 1 173 173 VAL HG23 H 1 0.819 0.02 . 1 . . . A 173 VAL HG23 . 19664 1 392 . 1 1 173 173 VAL CG1 C 13 20.332 0.20 . 1 . . . A 173 VAL CG1 . 19664 1 393 . 1 1 173 173 VAL CG2 C 13 21.389 0.20 . 1 . . . A 173 VAL CG2 . 19664 1 394 . 1 1 175 175 VAL HG11 H 1 0.669 0.02 . 1 . . . A 175 VAL HG11 . 19664 1 395 . 1 1 175 175 VAL HG12 H 1 0.669 0.02 . 1 . . . A 175 VAL HG12 . 19664 1 396 . 1 1 175 175 VAL HG13 H 1 0.669 0.02 . 1 . . . A 175 VAL HG13 . 19664 1 397 . 1 1 175 175 VAL HG21 H 1 1.003 0.02 . 1 . . . A 175 VAL HG21 . 19664 1 398 . 1 1 175 175 VAL HG22 H 1 1.003 0.02 . 1 . . . A 175 VAL HG22 . 19664 1 399 . 1 1 175 175 VAL HG23 H 1 1.003 0.02 . 1 . . . A 175 VAL HG23 . 19664 1 400 . 1 1 175 175 VAL CG1 C 13 20.670 0.20 . 1 . . . A 175 VAL CG1 . 19664 1 401 . 1 1 175 175 VAL CG2 C 13 23.167 0.20 . 1 . . . A 175 VAL CG2 . 19664 1 402 . 1 1 179 179 ALA HB1 H 1 1.165 0.02 . 1 . . . A 179 ALA HB1 . 19664 1 403 . 1 1 179 179 ALA HB2 H 1 1.165 0.02 . 1 . . . A 179 ALA HB2 . 19664 1 404 . 1 1 179 179 ALA HB3 H 1 1.165 0.02 . 1 . . . A 179 ALA HB3 . 19664 1 405 . 1 1 179 179 ALA CB C 13 17.688 0.20 . 1 . . . A 179 ALA CB . 19664 1 406 . 1 1 182 182 VAL HG11 H 1 0.654 0.02 . 1 . . . A 182 VAL HG11 . 19664 1 407 . 1 1 182 182 VAL HG12 H 1 0.654 0.02 . 1 . . . A 182 VAL HG12 . 19664 1 408 . 1 1 182 182 VAL HG13 H 1 0.654 0.02 . 1 . . . A 182 VAL HG13 . 19664 1 409 . 1 1 182 182 VAL HG21 H 1 0.814 0.02 . 1 . . . A 182 VAL HG21 . 19664 1 410 . 1 1 182 182 VAL HG22 H 1 0.814 0.02 . 1 . . . A 182 VAL HG22 . 19664 1 411 . 1 1 182 182 VAL HG23 H 1 0.814 0.02 . 1 . . . A 182 VAL HG23 . 19664 1 412 . 1 1 182 182 VAL CG1 C 13 21.902 0.20 . 1 . . . A 182 VAL CG1 . 19664 1 413 . 1 1 182 182 VAL CG2 C 13 23.298 0.20 . 1 . . . A 182 VAL CG2 . 19664 1 414 . 1 1 185 185 LEU HD11 H 1 0.095 0.02 . 1 . . . A 185 LEU HD11 . 19664 1 415 . 1 1 185 185 LEU HD12 H 1 0.095 0.02 . 1 . . . A 185 LEU HD12 . 19664 1 416 . 1 1 185 185 LEU HD13 H 1 0.095 0.02 . 1 . . . A 185 LEU HD13 . 19664 1 417 . 1 1 185 185 LEU HD21 H 1 -1.191 0.02 . 1 . . . A 185 LEU HD21 . 19664 1 418 . 1 1 185 185 LEU HD22 H 1 -1.191 0.02 . 1 . . . A 185 LEU HD22 . 19664 1 419 . 1 1 185 185 LEU HD23 H 1 -1.191 0.02 . 1 . . . A 185 LEU HD23 . 19664 1 420 . 1 1 185 185 LEU CD1 C 13 25.583 0.20 . 1 . . . A 185 LEU CD1 . 19664 1 421 . 1 1 185 185 LEU CD2 C 13 17.266 0.20 . 1 . . . A 185 LEU CD2 . 19664 1 stop_ save_