################################### # 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 26959 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $25C _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-13C HSQC' . . . 26959 1 2 '3D 1H-13C NOESY aliphatic' . . . 26959 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HB1 H 1 1.516 0.01 . 1 . . . . . 2 ALA HB . 26959 1 2 . 1 1 2 2 ALA HB2 H 1 1.516 0.01 . 1 . . . . . 2 ALA HB . 26959 1 3 . 1 1 2 2 ALA HB3 H 1 1.516 0.01 . 1 . . . . . 2 ALA HB . 26959 1 4 . 1 1 2 2 ALA CB C 13 19.085 0.05 . 1 . . . . . 2 ALA CB . 26959 1 5 . 1 1 8 8 ILE HD11 H 1 0.770 0.01 . 1 . . . . . 8 ILE HD . 26959 1 6 . 1 1 8 8 ILE HD12 H 1 0.770 0.01 . 1 . . . . . 8 ILE HD . 26959 1 7 . 1 1 8 8 ILE HD13 H 1 0.770 0.01 . 1 . . . . . 8 ILE HD . 26959 1 8 . 1 1 8 8 ILE CD1 C 13 12.713 0.05 . 1 . . . . . 8 ILE CD1 . 26959 1 9 . 1 1 13 13 LEU HD11 H 1 0.777 0.01 . 1 . . . . . 13 LEU HD1 . 26959 1 10 . 1 1 13 13 LEU HD12 H 1 0.777 0.01 . 1 . . . . . 13 LEU HD1 . 26959 1 11 . 1 1 13 13 LEU HD13 H 1 0.777 0.01 . 1 . . . . . 13 LEU HD1 . 26959 1 12 . 1 1 13 13 LEU HD21 H 1 0.631 0.01 . 1 . . . . . 13 LEU HD2 . 26959 1 13 . 1 1 13 13 LEU HD22 H 1 0.631 0.01 . 1 . . . . . 13 LEU HD2 . 26959 1 14 . 1 1 13 13 LEU HD23 H 1 0.631 0.01 . 1 . . . . . 13 LEU HD2 . 26959 1 15 . 1 1 13 13 LEU CD1 C 13 25.064 0.05 . 1 . . . . . 13 LEU CD1 . 26959 1 16 . 1 1 13 13 LEU CD2 C 13 22.368 0.05 . 1 . . . . . 13 LEU CD2 . 26959 1 17 . 1 1 16 16 VAL HG11 H 1 0.837 0.01 . 1 . . . . . 16 VAL HG1 . 26959 1 18 . 1 1 16 16 VAL HG12 H 1 0.837 0.01 . 1 . . . . . 16 VAL HG1 . 26959 1 19 . 1 1 16 16 VAL HG13 H 1 0.837 0.01 . 1 . . . . . 16 VAL HG1 . 26959 1 20 . 1 1 16 16 VAL HG21 H 1 0.887 0.01 . 1 . . . . . 16 VAL HG2 . 26959 1 21 . 1 1 16 16 VAL HG22 H 1 0.887 0.01 . 1 . . . . . 16 VAL HG2 . 26959 1 22 . 1 1 16 16 VAL HG23 H 1 0.887 0.01 . 1 . . . . . 16 VAL HG2 . 26959 1 23 . 1 1 16 16 VAL CG1 C 13 22.799 0.05 . 1 . . . . . 16 VAL CG1 . 26959 1 24 . 1 1 16 16 VAL CG2 C 13 23.815 0.05 . 1 . . . . . 16 VAL CG2 . 26959 1 25 . 1 1 19 19 ILE HD11 H 1 0.825 0.01 . 1 . . . . . 19 ILE HD . 26959 1 26 . 1 1 19 19 ILE HD12 H 1 0.825 0.01 . 1 . . . . . 19 ILE HD . 26959 1 27 . 1 1 19 19 ILE HD13 H 1 0.825 0.01 . 1 . . . . . 19 ILE HD . 26959 1 28 . 1 1 19 19 ILE CD1 C 13 13.833 0.05 . 1 . . . . . 19 ILE CD1 . 26959 1 29 . 1 1 22 22 ALA HB1 H 1 1.418 0.01 . 1 . . . . . 22 ALA HB . 26959 1 30 . 1 1 22 22 ALA HB2 H 1 1.418 0.01 . 1 . . . . . 22 ALA HB . 26959 1 31 . 1 1 22 22 ALA HB3 H 1 1.418 0.01 . 1 . . . . . 22 ALA HB . 26959 1 32 . 1 1 22 22 ALA CB C 13 18.508 0.05 . 1 . . . . . 22 ALA CB . 26959 1 33 . 1 1 23 23 LEU HD11 H 1 0.091 0.01 . 1 . . . . . 23 LEU HD1 . 26959 1 34 . 1 1 23 23 LEU HD12 H 1 0.091 0.01 . 1 . . . . . 23 LEU HD1 . 26959 1 35 . 1 1 23 23 LEU HD13 H 1 0.091 0.01 . 1 . . . . . 23 LEU HD1 . 26959 1 36 . 1 1 23 23 LEU HD21 H 1 0.496 0.01 . 1 . . . . . 23 LEU HD2 . 26959 1 37 . 1 1 23 23 LEU HD22 H 1 0.496 0.01 . 1 . . . . . 23 LEU HD2 . 26959 1 38 . 1 1 23 23 LEU HD23 H 1 0.496 0.01 . 1 . . . . . 23 LEU HD2 . 26959 1 39 . 1 1 23 23 LEU CD1 C 13 25.507 0.05 . 1 . . . . . 23 LEU CD1 . 26959 1 40 . 1 1 23 23 LEU CD2 C 13 23.018 0.05 . 1 . . . . . 23 LEU CD2 . 26959 1 41 . 1 1 29 29 ILE HD11 H 1 1.010 0.01 . 1 . . . . . 29 ILE HD . 26959 1 42 . 1 1 29 29 ILE HD12 H 1 1.010 0.01 . 1 . . . . . 29 ILE HD . 26959 1 43 . 1 1 29 29 ILE HD13 H 1 1.010 0.01 . 1 . . . . . 29 ILE HD . 26959 1 44 . 1 1 29 29 ILE CD1 C 13 13.231 0.05 . 1 . . . . . 29 ILE CD1 . 26959 1 45 . 1 1 31 31 ILE HD11 H 1 0.562 0.01 . 1 . . . . . 31 ILE HD . 26959 1 46 . 1 1 31 31 ILE HD12 H 1 0.562 0.01 . 1 . . . . . 31 ILE HD . 26959 1 47 . 1 1 31 31 ILE HD13 H 1 0.562 0.01 . 1 . . . . . 31 ILE HD . 26959 1 48 . 1 1 31 31 ILE CD1 C 13 13.941 0.05 . 1 . . . . . 31 ILE CD1 . 26959 1 49 . 1 1 32 32 MET HE1 H 1 1.828 0.01 . 1 . . . . . 32 MET HE . 26959 1 50 . 1 1 32 32 MET HE2 H 1 1.828 0.01 . 1 . . . . . 32 MET HE . 26959 1 51 . 1 1 32 32 MET HE3 H 1 1.828 0.01 . 1 . . . . . 32 MET HE . 26959 1 52 . 1 1 32 32 MET CE C 13 16.965 0.05 . 1 . . . . . 32 MET CE . 26959 1 53 . 1 1 34 34 LEU HD11 H 1 0.739 0.01 . 1 . . . . . 34 LEU HD1 . 26959 1 54 . 1 1 34 34 LEU HD12 H 1 0.739 0.01 . 1 . . . . . 34 LEU HD1 . 26959 1 55 . 1 1 34 34 LEU HD13 H 1 0.739 0.01 . 1 . . . . . 34 LEU HD1 . 26959 1 56 . 1 1 34 34 LEU HD21 H 1 0.757 0.01 . 1 . . . . . 34 LEU HD2 . 26959 1 57 . 1 1 34 34 LEU HD22 H 1 0.757 0.01 . 1 . . . . . 34 LEU HD2 . 26959 1 58 . 1 1 34 34 LEU HD23 H 1 0.757 0.01 . 1 . . . . . 34 LEU HD2 . 26959 1 59 . 1 1 34 34 LEU CD1 C 13 26.282 0.05 . 1 . . . . . 34 LEU CD1 . 26959 1 60 . 1 1 34 34 LEU CD2 C 13 26.639 0.05 . 1 . . . . . 34 LEU CD2 . 26959 1 61 . 1 1 35 35 LEU HD11 H 1 0.610 0.01 . 1 . . . . . 35 LEU HD1 . 26959 1 62 . 1 1 35 35 LEU HD12 H 1 0.610 0.01 . 1 . . . . . 35 LEU HD1 . 26959 1 63 . 1 1 35 35 LEU HD13 H 1 0.610 0.01 . 1 . . . . . 35 LEU HD1 . 26959 1 64 . 1 1 35 35 LEU HD21 H 1 0.910 0.01 . 1 . . . . . 35 LEU HD2 . 26959 1 65 . 1 1 35 35 LEU HD22 H 1 0.910 0.01 . 1 . . . . . 35 LEU HD2 . 26959 1 66 . 1 1 35 35 LEU HD23 H 1 0.910 0.01 . 1 . . . . . 35 LEU HD2 . 26959 1 67 . 1 1 35 35 LEU CD1 C 13 26.846 0.05 . 1 . . . . . 35 LEU CD1 . 26959 1 68 . 1 1 35 35 LEU CD2 C 13 23.051 0.05 . 1 . . . . . 35 LEU CD2 . 26959 1 69 . 1 1 37 37 VAL HG11 H 1 0.956 0.01 . 1 . . . . . 37 VAL HG1 . 26959 1 70 . 1 1 37 37 VAL HG12 H 1 0.956 0.01 . 1 . . . . . 37 VAL HG1 . 26959 1 71 . 1 1 37 37 VAL HG13 H 1 0.956 0.01 . 1 . . . . . 37 VAL HG1 . 26959 1 72 . 1 1 37 37 VAL HG21 H 1 1.040 0.01 . 1 . . . . . 37 VAL HG2 . 26959 1 73 . 1 1 37 37 VAL HG22 H 1 1.040 0.01 . 1 . . . . . 37 VAL HG2 . 26959 1 74 . 1 1 37 37 VAL HG23 H 1 1.040 0.01 . 1 . . . . . 37 VAL HG2 . 26959 1 75 . 1 1 37 37 VAL CG1 C 13 21.094 0.05 . 1 . . . . . 37 VAL CG1 . 26959 1 76 . 1 1 37 37 VAL CG2 C 13 21.436 0.05 . 1 . . . . . 37 VAL CG2 . 26959 1 77 . 1 1 40 40 ALA HB1 H 1 1.379 0.01 . 1 . . . . . 40 ALA HB . 26959 1 78 . 1 1 40 40 ALA HB2 H 1 1.379 0.01 . 1 . . . . . 40 ALA HB . 26959 1 79 . 1 1 40 40 ALA HB3 H 1 1.379 0.01 . 1 . . . . . 40 ALA HB . 26959 1 80 . 1 1 40 40 ALA CB C 13 24.439 0.05 . 1 . . . . . 40 ALA CB . 26959 1 81 . 1 1 42 42 VAL HG11 H 1 0.909 0.01 . 1 . . . . . 42 VAL HG1 . 26959 1 82 . 1 1 42 42 VAL HG12 H 1 0.909 0.01 . 1 . . . . . 42 VAL HG1 . 26959 1 83 . 1 1 42 42 VAL HG13 H 1 0.909 0.01 . 1 . . . . . 42 VAL HG1 . 26959 1 84 . 1 1 42 42 VAL HG21 H 1 1.084 0.01 . 1 . . . . . 42 VAL HG2 . 26959 1 85 . 1 1 42 42 VAL HG22 H 1 1.084 0.01 . 1 . . . . . 42 VAL HG2 . 26959 1 86 . 1 1 42 42 VAL HG23 H 1 1.084 0.01 . 1 . . . . . 42 VAL HG2 . 26959 1 87 . 1 1 42 42 VAL CG1 C 13 20.859 0.05 . 1 . . . . . 42 VAL CG1 . 26959 1 88 . 1 1 42 42 VAL CG2 C 13 23.512 0.05 . 1 . . . . . 42 VAL CG2 . 26959 1 89 . 1 1 45 45 ILE HD11 H 1 0.673 0.01 . 1 . . . . . 45 ILE HD . 26959 1 90 . 1 1 45 45 ILE HD12 H 1 0.673 0.01 . 1 . . . . . 45 ILE HD . 26959 1 91 . 1 1 45 45 ILE HD13 H 1 0.673 0.01 . 1 . . . . . 45 ILE HD . 26959 1 92 . 1 1 45 45 ILE CD1 C 13 14.009 0.05 . 1 . . . . . 45 ILE CD1 . 26959 1 93 . 1 1 49 49 LEU HD11 H 1 0.582 0.01 . 1 . . . . . 49 LEU HD1 . 26959 1 94 . 1 1 49 49 LEU HD12 H 1 0.582 0.01 . 1 . . . . . 49 LEU HD1 . 26959 1 95 . 1 1 49 49 LEU HD13 H 1 0.582 0.01 . 1 . . . . . 49 LEU HD1 . 26959 1 96 . 1 1 49 49 LEU HD21 H 1 0.686 0.01 . 1 . . . . . 49 LEU HD2 . 26959 1 97 . 1 1 49 49 LEU HD22 H 1 0.686 0.01 . 1 . . . . . 49 LEU HD2 . 26959 1 98 . 1 1 49 49 LEU HD23 H 1 0.686 0.01 . 1 . . . . . 49 LEU HD2 . 26959 1 99 . 1 1 49 49 LEU CD1 C 13 27.387 0.05 . 1 . . . . . 49 LEU CD1 . 26959 1 100 . 1 1 49 49 LEU CD2 C 13 22.168 0.05 . 1 . . . . . 49 LEU CD2 . 26959 1 101 . 1 1 51 51 LEU HD11 H 1 0.630 0.01 . 1 . . . . . 51 LEU HD1 . 26959 1 102 . 1 1 51 51 LEU HD12 H 1 0.630 0.01 . 1 . . . . . 51 LEU HD1 . 26959 1 103 . 1 1 51 51 LEU HD13 H 1 0.630 0.01 . 1 . . . . . 51 LEU HD1 . 26959 1 104 . 1 1 51 51 LEU HD21 H 1 0.849 0.01 . 1 . . . . . 51 LEU HD2 . 26959 1 105 . 1 1 51 51 LEU HD22 H 1 0.849 0.01 . 1 . . . . . 51 LEU HD2 . 26959 1 106 . 1 1 51 51 LEU HD23 H 1 0.849 0.01 . 1 . . . . . 51 LEU HD2 . 26959 1 107 . 1 1 51 51 LEU CD1 C 13 25.055 0.05 . 1 . . . . . 51 LEU CD1 . 26959 1 108 . 1 1 51 51 LEU CD2 C 13 22.571 0.05 . 1 . . . . . 51 LEU CD2 . 26959 1 109 . 1 1 56 56 VAL HG11 H 1 0.820 0.01 . 1 . . . . . 56 VAL HG1 . 26959 1 110 . 1 1 56 56 VAL HG12 H 1 0.820 0.01 . 1 . . . . . 56 VAL HG1 . 26959 1 111 . 1 1 56 56 VAL HG13 H 1 0.820 0.01 . 1 . . . . . 56 VAL HG1 . 26959 1 112 . 1 1 56 56 VAL HG21 H 1 0.849 0.01 . 1 . . . . . 56 VAL HG2 . 26959 1 113 . 1 1 56 56 VAL HG22 H 1 0.849 0.01 . 1 . . . . . 56 VAL HG2 . 26959 1 114 . 1 1 56 56 VAL HG23 H 1 0.849 0.01 . 1 . . . . . 56 VAL HG2 . 26959 1 115 . 1 1 56 56 VAL CG1 C 13 22.581 0.05 . 1 . . . . . 56 VAL CG1 . 26959 1 116 . 1 1 56 56 VAL CG2 C 13 24.950 0.05 . 1 . . . . . 56 VAL CG2 . 26959 1 117 . 1 1 60 60 LEU HD11 H 1 -0.187 0.01 . 1 . . . . . 60 LEU HD1 . 26959 1 118 . 1 1 60 60 LEU HD12 H 1 -0.187 0.01 . 1 . . . . . 60 LEU HD1 . 26959 1 119 . 1 1 60 60 LEU HD13 H 1 -0.187 0.01 . 1 . . . . . 60 LEU HD1 . 26959 1 120 . 1 1 60 60 LEU HD21 H 1 0.349 0.01 . 1 . . . . . 60 LEU HD2 . 26959 1 121 . 1 1 60 60 LEU HD22 H 1 0.349 0.01 . 1 . . . . . 60 LEU HD2 . 26959 1 122 . 1 1 60 60 LEU HD23 H 1 0.349 0.01 . 1 . . . . . 60 LEU HD2 . 26959 1 123 . 1 1 60 60 LEU CD1 C 13 25.910 0.05 . 1 . . . . . 60 LEU CD1 . 26959 1 124 . 1 1 60 60 LEU CD2 C 13 22.081 0.05 . 1 . . . . . 60 LEU CD2 . 26959 1 125 . 1 1 62 62 LEU HD11 H 1 0.829 0.01 . 1 . . . . . 62 LEU HD1 . 26959 1 126 . 1 1 62 62 LEU HD12 H 1 0.829 0.01 . 1 . . . . . 62 LEU HD1 . 26959 1 127 . 1 1 62 62 LEU HD13 H 1 0.829 0.01 . 1 . . . . . 62 LEU HD1 . 26959 1 128 . 1 1 62 62 LEU HD21 H 1 0.790 0.01 . 1 . . . . . 62 LEU HD2 . 26959 1 129 . 1 1 62 62 LEU HD22 H 1 0.790 0.01 . 1 . . . . . 62 LEU HD2 . 26959 1 130 . 1 1 62 62 LEU HD23 H 1 0.790 0.01 . 1 . . . . . 62 LEU HD2 . 26959 1 131 . 1 1 62 62 LEU CD1 C 13 24.579 0.05 . 1 . . . . . 62 LEU CD1 . 26959 1 132 . 1 1 62 62 LEU CD2 C 13 23.214 0.05 . 1 . . . . . 62 LEU CD2 . 26959 1 133 . 1 1 63 63 LEU HD11 H 1 0.700 0.01 . 1 . . . . . 63 LEU HD1 . 26959 1 134 . 1 1 63 63 LEU HD12 H 1 0.700 0.01 . 1 . . . . . 63 LEU HD1 . 26959 1 135 . 1 1 63 63 LEU HD13 H 1 0.700 0.01 . 1 . . . . . 63 LEU HD1 . 26959 1 136 . 1 1 63 63 LEU HD21 H 1 0.814 0.01 . 1 . . . . . 63 LEU HD2 . 26959 1 137 . 1 1 63 63 LEU HD22 H 1 0.814 0.01 . 1 . . . . . 63 LEU HD2 . 26959 1 138 . 1 1 63 63 LEU HD23 H 1 0.814 0.01 . 1 . . . . . 63 LEU HD2 . 26959 1 139 . 1 1 63 63 LEU CD1 C 13 24.331 0.05 . 1 . . . . . 63 LEU CD1 . 26959 1 140 . 1 1 63 63 LEU CD2 C 13 22.644 0.05 . 1 . . . . . 63 LEU CD2 . 26959 1 141 . 1 1 66 66 VAL HG11 H 1 0.944 0.01 . 1 . . . . . 66 VAL HG1 . 26959 1 142 . 1 1 66 66 VAL HG12 H 1 0.944 0.01 . 1 . . . . . 66 VAL HG1 . 26959 1 143 . 1 1 66 66 VAL HG13 H 1 0.944 0.01 . 1 . . . . . 66 VAL HG1 . 26959 1 144 . 1 1 66 66 VAL HG21 H 1 0.921 0.01 . 1 . . . . . 66 VAL HG2 . 26959 1 145 . 1 1 66 66 VAL HG22 H 1 0.921 0.01 . 1 . . . . . 66 VAL HG2 . 26959 1 146 . 1 1 66 66 VAL HG23 H 1 0.921 0.01 . 1 . . . . . 66 VAL HG2 . 26959 1 147 . 1 1 66 66 VAL CG1 C 13 22.214 0.05 . 1 . . . . . 66 VAL CG1 . 26959 1 148 . 1 1 66 66 VAL CG2 C 13 19.787 0.05 . 1 . . . . . 66 VAL CG2 . 26959 1 149 . 1 1 68 68 LEU HD11 H 1 0.808 0.01 . 1 . . . . . 68 LEU HD1 . 26959 1 150 . 1 1 68 68 LEU HD12 H 1 0.808 0.01 . 1 . . . . . 68 LEU HD1 . 26959 1 151 . 1 1 68 68 LEU HD13 H 1 0.808 0.01 . 1 . . . . . 68 LEU HD1 . 26959 1 152 . 1 1 68 68 LEU HD21 H 1 0.796 0.01 . 1 . . . . . 68 LEU HD2 . 26959 1 153 . 1 1 68 68 LEU HD22 H 1 0.796 0.01 . 1 . . . . . 68 LEU HD2 . 26959 1 154 . 1 1 68 68 LEU HD23 H 1 0.796 0.01 . 1 . . . . . 68 LEU HD2 . 26959 1 155 . 1 1 68 68 LEU CD1 C 13 25.617 0.05 . 1 . . . . . 68 LEU CD1 . 26959 1 156 . 1 1 68 68 LEU CD2 C 13 23.551 0.05 . 1 . . . . . 68 LEU CD2 . 26959 1 157 . 1 1 69 69 VAL HG11 H 1 0.807 0.01 . 1 . . . . . 69 VAL HG1 . 26959 1 158 . 1 1 69 69 VAL HG12 H 1 0.807 0.01 . 1 . . . . . 69 VAL HG1 . 26959 1 159 . 1 1 69 69 VAL HG13 H 1 0.807 0.01 . 1 . . . . . 69 VAL HG1 . 26959 1 160 . 1 1 69 69 VAL HG21 H 1 0.690 0.01 . 1 . . . . . 69 VAL HG2 . 26959 1 161 . 1 1 69 69 VAL HG22 H 1 0.690 0.01 . 1 . . . . . 69 VAL HG2 . 26959 1 162 . 1 1 69 69 VAL HG23 H 1 0.690 0.01 . 1 . . . . . 69 VAL HG2 . 26959 1 163 . 1 1 69 69 VAL CG1 C 13 22.698 0.05 . 1 . . . . . 69 VAL CG1 . 26959 1 164 . 1 1 69 69 VAL CG2 C 13 19.940 0.05 . 1 . . . . . 69 VAL CG2 . 26959 1 165 . 1 1 71 71 ALA HB1 H 1 0.554 0.01 . 1 . . . . . 71 ALA HB . 26959 1 166 . 1 1 71 71 ALA HB2 H 1 0.554 0.01 . 1 . . . . . 71 ALA HB . 26959 1 167 . 1 1 71 71 ALA HB3 H 1 0.554 0.01 . 1 . . . . . 71 ALA HB . 26959 1 168 . 1 1 71 71 ALA CB C 13 22.465 0.05 . 1 . . . . . 71 ALA CB . 26959 1 169 . 1 1 78 78 MET HE1 H 1 1.825 0.01 . 1 . . . . . 78 MET HE . 26959 1 170 . 1 1 78 78 MET HE2 H 1 1.825 0.01 . 1 . . . . . 78 MET HE . 26959 1 171 . 1 1 78 78 MET HE3 H 1 1.825 0.01 . 1 . . . . . 78 MET HE . 26959 1 172 . 1 1 78 78 MET CE C 13 16.386 0.05 . 1 . . . . . 78 MET CE . 26959 1 173 . 1 1 79 79 ILE HD11 H 1 0.654 0.01 . 1 . . . . . 79 ILE HD . 26959 1 174 . 1 1 79 79 ILE HD12 H 1 0.654 0.01 . 1 . . . . . 79 ILE HD . 26959 1 175 . 1 1 79 79 ILE HD13 H 1 0.654 0.01 . 1 . . . . . 79 ILE HD . 26959 1 176 . 1 1 79 79 ILE CD1 C 13 10.513 0.05 . 1 . . . . . 79 ILE CD1 . 26959 1 177 . 1 1 82 82 LEU HD11 H 1 0.800 0.01 . 1 . . . . . 82 LEU HD1 . 26959 1 178 . 1 1 82 82 LEU HD12 H 1 0.800 0.01 . 1 . . . . . 82 LEU HD1 . 26959 1 179 . 1 1 82 82 LEU HD13 H 1 0.800 0.01 . 1 . . . . . 82 LEU HD1 . 26959 1 180 . 1 1 82 82 LEU HD21 H 1 0.905 0.01 . 1 . . . . . 82 LEU HD2 . 26959 1 181 . 1 1 82 82 LEU HD22 H 1 0.905 0.01 . 1 . . . . . 82 LEU HD2 . 26959 1 182 . 1 1 82 82 LEU HD23 H 1 0.905 0.01 . 1 . . . . . 82 LEU HD2 . 26959 1 183 . 1 1 82 82 LEU CD1 C 13 25.584 0.05 . 1 . . . . . 82 LEU CD1 . 26959 1 184 . 1 1 82 82 LEU CD2 C 13 23.490 0.05 . 1 . . . . . 82 LEU CD2 . 26959 1 185 . 1 1 85 85 ILE HD11 H 1 0.759 0.01 . 1 . . . . . 85 ILE HD . 26959 1 186 . 1 1 85 85 ILE HD12 H 1 0.759 0.01 . 1 . . . . . 85 ILE HD . 26959 1 187 . 1 1 85 85 ILE HD13 H 1 0.759 0.01 . 1 . . . . . 85 ILE HD . 26959 1 188 . 1 1 85 85 ILE CD1 C 13 12.906 0.05 . 1 . . . . . 85 ILE CD1 . 26959 1 189 . 1 1 87 87 VAL HG11 H 1 0.916 0.01 . 1 . . . . . 87 VAL HG1 . 26959 1 190 . 1 1 87 87 VAL HG12 H 1 0.916 0.01 . 1 . . . . . 87 VAL HG1 . 26959 1 191 . 1 1 87 87 VAL HG13 H 1 0.916 0.01 . 1 . . . . . 87 VAL HG1 . 26959 1 192 . 1 1 87 87 VAL HG21 H 1 0.796 0.01 . 1 . . . . . 87 VAL HG2 . 26959 1 193 . 1 1 87 87 VAL HG22 H 1 0.796 0.01 . 1 . . . . . 87 VAL HG2 . 26959 1 194 . 1 1 87 87 VAL HG23 H 1 0.796 0.01 . 1 . . . . . 87 VAL HG2 . 26959 1 195 . 1 1 87 87 VAL CG1 C 13 21.780 0.05 . 1 . . . . . 87 VAL CG1 . 26959 1 196 . 1 1 87 87 VAL CG2 C 13 22.160 0.05 . 1 . . . . . 87 VAL CG2 . 26959 1 197 . 1 1 88 88 ALA HB1 H 1 1.543 0.01 . 1 . . . . . 88 ALA HB . 26959 1 198 . 1 1 88 88 ALA HB2 H 1 1.543 0.01 . 1 . . . . . 88 ALA HB . 26959 1 199 . 1 1 88 88 ALA HB3 H 1 1.543 0.01 . 1 . . . . . 88 ALA HB . 26959 1 200 . 1 1 88 88 ALA CB C 13 18.293 0.05 . 1 . . . . . 88 ALA CB . 26959 1 201 . 1 1 90 90 MET HE1 H 1 1.857 0.01 . 1 . . . . . 90 MET HE . 26959 1 202 . 1 1 90 90 MET HE2 H 1 1.857 0.01 . 1 . . . . . 90 MET HE . 26959 1 203 . 1 1 90 90 MET HE3 H 1 1.857 0.01 . 1 . . . . . 90 MET HE . 26959 1 204 . 1 1 90 90 MET CE C 13 17.121 0.05 . 1 . . . . . 90 MET CE . 26959 1 205 . 1 1 91 91 LEU HD11 H 1 1.032 0.01 . 1 . . . . . 91 LEU HD1 . 26959 1 206 . 1 1 91 91 LEU HD12 H 1 1.032 0.01 . 1 . . . . . 91 LEU HD1 . 26959 1 207 . 1 1 91 91 LEU HD13 H 1 1.032 0.01 . 1 . . . . . 91 LEU HD1 . 26959 1 208 . 1 1 91 91 LEU HD21 H 1 0.916 0.01 . 1 . . . . . 91 LEU HD2 . 26959 1 209 . 1 1 91 91 LEU HD22 H 1 0.916 0.01 . 1 . . . . . 91 LEU HD2 . 26959 1 210 . 1 1 91 91 LEU HD23 H 1 0.916 0.01 . 1 . . . . . 91 LEU HD2 . 26959 1 211 . 1 1 91 91 LEU CD1 C 13 23.937 0.05 . 1 . . . . . 91 LEU CD1 . 26959 1 212 . 1 1 91 91 LEU CD2 C 13 25.688 0.05 . 1 . . . . . 91 LEU CD2 . 26959 1 213 . 1 1 94 94 ALA HB1 H 1 1.627 0.01 . 1 . . . . . 94 ALA HB . 26959 1 214 . 1 1 94 94 ALA HB2 H 1 1.627 0.01 . 1 . . . . . 94 ALA HB . 26959 1 215 . 1 1 94 94 ALA HB3 H 1 1.627 0.01 . 1 . . . . . 94 ALA HB . 26959 1 216 . 1 1 94 94 ALA CB C 13 18.842 0.05 . 1 . . . . . 94 ALA CB . 26959 1 217 . 1 1 95 95 ILE HD11 H 1 0.771 0.01 . 1 . . . . . 95 ILE HD . 26959 1 218 . 1 1 95 95 ILE HD12 H 1 0.771 0.01 . 1 . . . . . 95 ILE HD . 26959 1 219 . 1 1 95 95 ILE HD13 H 1 0.771 0.01 . 1 . . . . . 95 ILE HD . 26959 1 220 . 1 1 95 95 ILE CD1 C 13 13.349 0.05 . 1 . . . . . 95 ILE CD1 . 26959 1 221 . 1 1 98 98 ALA HB1 H 1 1.374 0.01 . 1 . . . . . 98 ALA HB . 26959 1 222 . 1 1 98 98 ALA HB2 H 1 1.374 0.01 . 1 . . . . . 98 ALA HB . 26959 1 223 . 1 1 98 98 ALA HB3 H 1 1.374 0.01 . 1 . . . . . 98 ALA HB . 26959 1 224 . 1 1 98 98 ALA CB C 13 19.393 0.05 . 1 . . . . . 98 ALA CB . 26959 1 225 . 1 1 106 106 LEU HD11 H 1 0.864 0.01 . 1 . . . . . 106 LEU HD1 . 26959 1 226 . 1 1 106 106 LEU HD12 H 1 0.864 0.01 . 1 . . . . . 106 LEU HD1 . 26959 1 227 . 1 1 106 106 LEU HD13 H 1 0.864 0.01 . 1 . . . . . 106 LEU HD1 . 26959 1 228 . 1 1 106 106 LEU HD21 H 1 0.823 0.01 . 1 . . . . . 106 LEU HD2 . 26959 1 229 . 1 1 106 106 LEU HD22 H 1 0.823 0.01 . 1 . . . . . 106 LEU HD2 . 26959 1 230 . 1 1 106 106 LEU HD23 H 1 0.823 0.01 . 1 . . . . . 106 LEU HD2 . 26959 1 231 . 1 1 106 106 LEU CD1 C 13 24.998 0.05 . 1 . . . . . 106 LEU CD1 . 26959 1 232 . 1 1 106 106 LEU CD2 C 13 23.122 0.05 . 1 . . . . . 106 LEU CD2 . 26959 1 stop_ save_