################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52591 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'S1 L56A methyl assignments' _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 $chem_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 HMQC' . . . 52591 1 3 '3D 1H-13C NOESY' . . . 52591 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52591 1 2 $software_2 . . 52591 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 12 12 LEU HD11 H 1 0.892 . . 2 . . . . . 12 L QD1 . 52591 1 2 . 1 . 1 12 12 LEU HD12 H 1 0.892 . . 2 . . . . . 12 L QD1 . 52591 1 3 . 1 . 1 12 12 LEU HD13 H 1 0.892 . . 2 . . . . . 12 L QD1 . 52591 1 4 . 1 . 1 12 12 LEU HD21 H 1 0.874 . . 2 . . . . . 12 L QD2 . 52591 1 5 . 1 . 1 12 12 LEU HD22 H 1 0.874 . . 2 . . . . . 12 L QD2 . 52591 1 6 . 1 . 1 12 12 LEU HD23 H 1 0.874 . . 2 . . . . . 12 L QD2 . 52591 1 7 . 1 . 1 12 12 LEU CD1 C 13 24.892 . . 2 . . . . . 12 L CD1 . 52591 1 8 . 1 . 1 12 12 LEU CD2 C 13 23.685 . . 2 . . . . . 12 L CD2 . 52591 1 9 . 1 . 1 14 14 LEU HD11 H 1 0.874 . . 1 . . . . . 14 L QD1 . 52591 1 10 . 1 . 1 14 14 LEU HD12 H 1 0.874 . . 1 . . . . . 14 L QD1 . 52591 1 11 . 1 . 1 14 14 LEU HD13 H 1 0.874 . . 1 . . . . . 14 L QD1 . 52591 1 12 . 1 . 1 14 14 LEU HD21 H 1 0.936 . . 1 . . . . . 14 L QD2 . 52591 1 13 . 1 . 1 14 14 LEU HD22 H 1 0.936 . . 1 . . . . . 14 L QD2 . 52591 1 14 . 1 . 1 14 14 LEU HD23 H 1 0.936 . . 1 . . . . . 14 L QD2 . 52591 1 15 . 1 . 1 14 14 LEU CD1 C 13 26.717 . . 1 . . . . . 14 L CD1 . 52591 1 16 . 1 . 1 14 14 LEU CD2 C 13 23.761 . . 1 . . . . . 14 L CD2 . 52591 1 17 . 1 . 1 17 17 LEU HD11 H 1 0.891 . . 2 . . . . . 17 L QD1 . 52591 1 18 . 1 . 1 17 17 LEU HD12 H 1 0.891 . . 2 . . . . . 17 L QD1 . 52591 1 19 . 1 . 1 17 17 LEU HD13 H 1 0.891 . . 2 . . . . . 17 L QD1 . 52591 1 20 . 1 . 1 17 17 LEU HD21 H 1 0.800 . . 2 . . . . . 17 L QD2 . 52591 1 21 . 1 . 1 17 17 LEU HD22 H 1 0.800 . . 2 . . . . . 17 L QD2 . 52591 1 22 . 1 . 1 17 17 LEU HD23 H 1 0.800 . . 2 . . . . . 17 L QD2 . 52591 1 23 . 1 . 1 17 17 LEU CD1 C 13 24.699 . . 2 . . . . . 17 L CD1 . 52591 1 24 . 1 . 1 17 17 LEU CD2 C 13 25.120 . . 2 . . . . . 17 L CD2 . 52591 1 25 . 1 . 1 18 18 LEU HD11 H 1 0.981 . . 1 . . . . . 18 L QD1 . 52591 1 26 . 1 . 1 18 18 LEU HD12 H 1 0.981 . . 1 . . . . . 18 L QD1 . 52591 1 27 . 1 . 1 18 18 LEU HD13 H 1 0.981 . . 1 . . . . . 18 L QD1 . 52591 1 28 . 1 . 1 18 18 LEU HD21 H 1 0.917 . . 1 . . . . . 18 L QD2 . 52591 1 29 . 1 . 1 18 18 LEU HD22 H 1 0.917 . . 1 . . . . . 18 L QD2 . 52591 1 30 . 1 . 1 18 18 LEU HD23 H 1 0.917 . . 1 . . . . . 18 L QD2 . 52591 1 31 . 1 . 1 18 18 LEU CD1 C 13 25.599 . . 1 . . . . . 18 L CD1 . 52591 1 32 . 1 . 1 18 18 LEU CD2 C 13 26.314 . . 1 . . . . . 18 L CD2 . 52591 1 33 . 1 . 1 19 19 LEU HD11 H 1 0.811 . . 2 . . . . . 19 L QD1 . 52591 1 34 . 1 . 1 19 19 LEU HD12 H 1 0.811 . . 2 . . . . . 19 L QD1 . 52591 1 35 . 1 . 1 19 19 LEU HD13 H 1 0.811 . . 2 . . . . . 19 L QD1 . 52591 1 36 . 1 . 1 19 19 LEU HD21 H 1 0.821 . . 2 . . . . . 19 L QD2 . 52591 1 37 . 1 . 1 19 19 LEU HD22 H 1 0.821 . . 2 . . . . . 19 L QD2 . 52591 1 38 . 1 . 1 19 19 LEU HD23 H 1 0.821 . . 2 . . . . . 19 L QD2 . 52591 1 39 . 1 . 1 19 19 LEU CD1 C 13 24.703 . . 2 . . . . . 19 L CD1 . 52591 1 40 . 1 . 1 19 19 LEU CD2 C 13 23.581 . . 2 . . . . . 19 L CD2 . 52591 1 41 . 1 . 1 21 21 LEU HD11 H 1 0.778 . . 1 . . . . . 21 L QD1 . 52591 1 42 . 1 . 1 21 21 LEU HD12 H 1 0.778 . . 1 . . . . . 21 L QD1 . 52591 1 43 . 1 . 1 21 21 LEU HD13 H 1 0.778 . . 1 . . . . . 21 L QD1 . 52591 1 44 . 1 . 1 21 21 LEU HD21 H 1 0.694 . . 1 . . . . . 21 L QD2 . 52591 1 45 . 1 . 1 21 21 LEU HD22 H 1 0.694 . . 1 . . . . . 21 L QD2 . 52591 1 46 . 1 . 1 21 21 LEU HD23 H 1 0.694 . . 1 . . . . . 21 L QD2 . 52591 1 47 . 1 . 1 21 21 LEU CD1 C 13 26.697 . . 1 . . . . . 21 L CD1 . 52591 1 48 . 1 . 1 21 21 LEU CD2 C 13 21.637 . . 1 . . . . . 21 L CD2 . 52591 1 49 . 1 . 1 24 24 ILE HD11 H 1 0.784 . . 1 . . . . . 24 I QD1 . 52591 1 50 . 1 . 1 24 24 ILE HD12 H 1 0.784 . . 1 . . . . . 24 I QD1 . 52591 1 51 . 1 . 1 24 24 ILE HD13 H 1 0.784 . . 1 . . . . . 24 I QD1 . 52591 1 52 . 1 . 1 24 24 ILE CD1 C 13 13.608 . . 1 . . . . . 24 I CD1 . 52591 1 53 . 1 . 1 25 25 LEU HD11 H 1 0.797 . . 2 . . . . . 25 L QD1 . 52591 1 54 . 1 . 1 25 25 LEU HD12 H 1 0.797 . . 2 . . . . . 25 L QD1 . 52591 1 55 . 1 . 1 25 25 LEU HD13 H 1 0.797 . . 2 . . . . . 25 L QD1 . 52591 1 56 . 1 . 1 25 25 LEU HD21 H 1 0.935 . . 2 . . . . . 25 L QD2 . 52591 1 57 . 1 . 1 25 25 LEU HD22 H 1 0.935 . . 2 . . . . . 25 L QD2 . 52591 1 58 . 1 . 1 25 25 LEU HD23 H 1 0.935 . . 2 . . . . . 25 L QD2 . 52591 1 59 . 1 . 1 25 25 LEU CD1 C 13 27.560 . . 2 . . . . . 25 L CD1 . 52591 1 60 . 1 . 1 25 25 LEU CD2 C 13 22.751 . . 2 . . . . . 25 L CD2 . 52591 1 61 . 1 . 1 28 28 LEU HD11 H 1 0.632 . . 2 . . . . . 28 L QD1 . 52591 1 62 . 1 . 1 28 28 LEU HD12 H 1 0.632 . . 2 . . . . . 28 L QD1 . 52591 1 63 . 1 . 1 28 28 LEU HD13 H 1 0.632 . . 2 . . . . . 28 L QD1 . 52591 1 64 . 1 . 1 28 28 LEU HD21 H 1 0.702 . . 2 . . . . . 28 L QD2 . 52591 1 65 . 1 . 1 28 28 LEU HD22 H 1 0.702 . . 2 . . . . . 28 L QD2 . 52591 1 66 . 1 . 1 28 28 LEU HD23 H 1 0.702 . . 2 . . . . . 28 L QD2 . 52591 1 67 . 1 . 1 28 28 LEU CD1 C 13 24.497 . . 2 . . . . . 28 L CD1 . 52591 1 68 . 1 . 1 28 28 LEU CD2 C 13 26.214 . . 2 . . . . . 28 L CD2 . 52591 1 69 . 1 . 1 36 36 LEU HD11 H 1 1.020 . . 1 . . . . . 36 L QD1 . 52591 1 70 . 1 . 1 36 36 LEU HD12 H 1 1.020 . . 1 . . . . . 36 L QD1 . 52591 1 71 . 1 . 1 36 36 LEU HD13 H 1 1.020 . . 1 . . . . . 36 L QD1 . 52591 1 72 . 1 . 1 36 36 LEU HD21 H 1 1.035 . . 1 . . . . . 36 L QD2 . 52591 1 73 . 1 . 1 36 36 LEU HD22 H 1 1.035 . . 1 . . . . . 36 L QD2 . 52591 1 74 . 1 . 1 36 36 LEU HD23 H 1 1.035 . . 1 . . . . . 36 L QD2 . 52591 1 75 . 1 . 1 36 36 LEU CD1 C 13 23.436 . . 1 . . . . . 36 L CD1 . 52591 1 76 . 1 . 1 36 36 LEU CD2 C 13 24.549 . . 1 . . . . . 36 L CD2 . 52591 1 77 . 1 . 1 39 39 LEU HD11 H 1 1.004 . . 2 . . . . . 39 L QD1 . 52591 1 78 . 1 . 1 39 39 LEU HD12 H 1 1.004 . . 2 . . . . . 39 L QD1 . 52591 1 79 . 1 . 1 39 39 LEU HD13 H 1 1.004 . . 2 . . . . . 39 L QD1 . 52591 1 80 . 1 . 1 39 39 LEU HD21 H 1 1.022 . . 2 . . . . . 39 L QD2 . 52591 1 81 . 1 . 1 39 39 LEU HD22 H 1 1.022 . . 2 . . . . . 39 L QD2 . 52591 1 82 . 1 . 1 39 39 LEU HD23 H 1 1.022 . . 2 . . . . . 39 L QD2 . 52591 1 83 . 1 . 1 39 39 LEU CD1 C 13 26.088 . . 2 . . . . . 39 L CD1 . 52591 1 84 . 1 . 1 39 39 LEU CD2 C 13 24.952 . . 2 . . . . . 39 L CD2 . 52591 1 85 . 1 . 1 40 40 LEU HD11 H 1 0.985 . . 1 . . . . . 40 L QD1 . 52591 1 86 . 1 . 1 40 40 LEU HD12 H 1 0.985 . . 1 . . . . . 40 L QD1 . 52591 1 87 . 1 . 1 40 40 LEU HD13 H 1 0.985 . . 1 . . . . . 40 L QD1 . 52591 1 88 . 1 . 1 40 40 LEU HD21 H 1 1.021 . . 1 . . . . . 40 L QD2 . 52591 1 89 . 1 . 1 40 40 LEU HD22 H 1 1.021 . . 1 . . . . . 40 L QD2 . 52591 1 90 . 1 . 1 40 40 LEU HD23 H 1 1.021 . . 1 . . . . . 40 L QD2 . 52591 1 91 . 1 . 1 40 40 LEU CD1 C 13 25.180 . . 1 . . . . . 40 L CD1 . 52591 1 92 . 1 . 1 40 40 LEU CD2 C 13 21.826 . . 1 . . . . . 40 L CD2 . 52591 1 93 . 1 . 1 53 53 LEU HD11 H 1 0.980 . . 1 . . . . . 53 L QD1 . 52591 1 94 . 1 . 1 53 53 LEU HD12 H 1 0.980 . . 1 . . . . . 53 L QD1 . 52591 1 95 . 1 . 1 53 53 LEU HD13 H 1 0.980 . . 1 . . . . . 53 L QD1 . 52591 1 96 . 1 . 1 53 53 LEU HD21 H 1 1.070 . . 1 . . . . . 53 L QD2 . 52591 1 97 . 1 . 1 53 53 LEU HD22 H 1 1.070 . . 1 . . . . . 53 L QD2 . 52591 1 98 . 1 . 1 53 53 LEU HD23 H 1 1.070 . . 1 . . . . . 53 L QD2 . 52591 1 99 . 1 . 1 53 53 LEU CD1 C 13 24.992 . . 1 . . . . . 53 L CD1 . 52591 1 100 . 1 . 1 53 53 LEU CD2 C 13 24.763 . . 1 . . . . . 53 L CD2 . 52591 1 101 . 1 . 1 59 59 LEU HD11 H 1 0.118 . . 1 . . . . . 59 L QD1 . 52591 1 102 . 1 . 1 59 59 LEU HD12 H 1 0.118 . . 1 . . . . . 59 L QD1 . 52591 1 103 . 1 . 1 59 59 LEU HD13 H 1 0.118 . . 1 . . . . . 59 L QD1 . 52591 1 104 . 1 . 1 59 59 LEU HD21 H 1 0.087 . . 1 . . . . . 59 L QD2 . 52591 1 105 . 1 . 1 59 59 LEU HD22 H 1 0.087 . . 1 . . . . . 59 L QD2 . 52591 1 106 . 1 . 1 59 59 LEU HD23 H 1 0.087 . . 1 . . . . . 59 L QD2 . 52591 1 107 . 1 . 1 59 59 LEU CD1 C 13 22.850 . . 1 . . . . . 59 L CD1 . 52591 1 108 . 1 . 1 59 59 LEU CD2 C 13 24.270 . . 1 . . . . . 59 L CD2 . 52591 1 109 . 1 . 1 63 63 LEU HD11 H 1 0.917 . . 1 . . . . . 63 L QD1 . 52591 1 110 . 1 . 1 63 63 LEU HD12 H 1 0.917 . . 1 . . . . . 63 L QD1 . 52591 1 111 . 1 . 1 63 63 LEU HD13 H 1 0.917 . . 1 . . . . . 63 L QD1 . 52591 1 112 . 1 . 1 63 63 LEU HD21 H 1 0.745 . . 1 . . . . . 63 L QD2 . 52591 1 113 . 1 . 1 63 63 LEU HD22 H 1 0.745 . . 1 . . . . . 63 L QD2 . 52591 1 114 . 1 . 1 63 63 LEU HD23 H 1 0.745 . . 1 . . . . . 63 L QD2 . 52591 1 115 . 1 . 1 63 63 LEU CD1 C 13 25.322 . . 1 . . . . . 63 L CD1 . 52591 1 116 . 1 . 1 63 63 LEU CD2 C 13 21.998 . . 1 . . . . . 63 L CD2 . 52591 1 117 . 1 . 1 66 66 LEU HD11 H 1 0.849 . . 2 . . . . . 66 L QD1 . 52591 1 118 . 1 . 1 66 66 LEU HD12 H 1 0.849 . . 2 . . . . . 66 L QD1 . 52591 1 119 . 1 . 1 66 66 LEU HD13 H 1 0.849 . . 2 . . . . . 66 L QD1 . 52591 1 120 . 1 . 1 66 66 LEU HD21 H 1 0.882 . . 2 . . . . . 66 L QD2 . 52591 1 121 . 1 . 1 66 66 LEU HD22 H 1 0.882 . . 2 . . . . . 66 L QD2 . 52591 1 122 . 1 . 1 66 66 LEU HD23 H 1 0.882 . . 2 . . . . . 66 L QD2 . 52591 1 123 . 1 . 1 66 66 LEU CD1 C 13 23.508 . . 2 . . . . . 66 L CD1 . 52591 1 124 . 1 . 1 66 66 LEU CD2 C 13 25.620 . . 2 . . . . . 66 L CD2 . 52591 1 125 . 1 . 1 70 70 LEU HD11 H 1 0.800 . . 1 . . . . . 70 L QD1 . 52591 1 126 . 1 . 1 70 70 LEU HD12 H 1 0.800 . . 1 . . . . . 70 L QD1 . 52591 1 127 . 1 . 1 70 70 LEU HD13 H 1 0.800 . . 1 . . . . . 70 L QD1 . 52591 1 128 . 1 . 1 70 70 LEU HD21 H 1 0.844 . . 1 . . . . . 70 L QD2 . 52591 1 129 . 1 . 1 70 70 LEU HD22 H 1 0.844 . . 1 . . . . . 70 L QD2 . 52591 1 130 . 1 . 1 70 70 LEU HD23 H 1 0.844 . . 1 . . . . . 70 L QD2 . 52591 1 131 . 1 . 1 70 70 LEU CD1 C 13 25.832 . . 1 . . . . . 70 L CD1 . 52591 1 132 . 1 . 1 70 70 LEU CD2 C 13 22.300 . . 1 . . . . . 70 L CD2 . 52591 1 133 . 1 . 1 80 80 ILE HD11 H 1 0.650 . . 1 . . . . . 80 I QD1 . 52591 1 134 . 1 . 1 80 80 ILE HD12 H 1 0.650 . . 1 . . . . . 80 I QD1 . 52591 1 135 . 1 . 1 80 80 ILE HD13 H 1 0.650 . . 1 . . . . . 80 I QD1 . 52591 1 136 . 1 . 1 80 80 ILE CD1 C 13 12.154 . . 1 . . . . . 80 I CD1 . 52591 1 137 . 1 . 1 83 83 VAL HG11 H 1 1.084 . . 2 . . . . . 83 V QG1 . 52591 1 138 . 1 . 1 83 83 VAL HG12 H 1 1.084 . . 2 . . . . . 83 V QG1 . 52591 1 139 . 1 . 1 83 83 VAL HG13 H 1 1.084 . . 2 . . . . . 83 V QG1 . 52591 1 140 . 1 . 1 83 83 VAL HG21 H 1 1.026 . . 2 . . . . . 83 V QG2 . 52591 1 141 . 1 . 1 83 83 VAL HG22 H 1 1.026 . . 2 . . . . . 83 V QG2 . 52591 1 142 . 1 . 1 83 83 VAL HG23 H 1 1.026 . . 2 . . . . . 83 V QG2 . 52591 1 143 . 1 . 1 83 83 VAL CG1 C 13 22.530 . . 2 . . . . . 83 V CG1 . 52591 1 144 . 1 . 1 83 83 VAL CG2 C 13 20.461 . . 2 . . . . . 83 V CG2 . 52591 1 145 . 1 . 1 84 84 VAL HG11 H 1 0.942 . . 2 . . . . . 84 V QG1 . 52591 1 146 . 1 . 1 84 84 VAL HG12 H 1 0.942 . . 2 . . . . . 84 V QG1 . 52591 1 147 . 1 . 1 84 84 VAL HG13 H 1 0.942 . . 2 . . . . . 84 V QG1 . 52591 1 148 . 1 . 1 84 84 VAL HG21 H 1 0.999 . . 2 . . . . . 84 V QG2 . 52591 1 149 . 1 . 1 84 84 VAL HG22 H 1 0.999 . . 2 . . . . . 84 V QG2 . 52591 1 150 . 1 . 1 84 84 VAL HG23 H 1 0.999 . . 2 . . . . . 84 V QG2 . 52591 1 151 . 1 . 1 84 84 VAL CG1 C 13 22.958 . . 2 . . . . . 84 V CG1 . 52591 1 152 . 1 . 1 84 84 VAL CG2 C 13 22.445 . . 2 . . . . . 84 V CG2 . 52591 1 153 . 1 . 1 87 87 ILE HD11 H 1 0.697 . . 1 . . . . . 87 I QD1 . 52591 1 154 . 1 . 1 87 87 ILE HD12 H 1 0.697 . . 1 . . . . . 87 I QD1 . 52591 1 155 . 1 . 1 87 87 ILE HD13 H 1 0.697 . . 1 . . . . . 87 I QD1 . 52591 1 156 . 1 . 1 87 87 ILE CD1 C 13 13.573 . . 1 . . . . . 87 I CD1 . 52591 1 157 . 1 . 1 89 89 VAL HG11 H 1 0.753 . . 1 . . . . . 89 V QG1 . 52591 1 158 . 1 . 1 89 89 VAL HG12 H 1 0.753 . . 1 . . . . . 89 V QG1 . 52591 1 159 . 1 . 1 89 89 VAL HG13 H 1 0.753 . . 1 . . . . . 89 V QG1 . 52591 1 160 . 1 . 1 89 89 VAL HG21 H 1 1.065 . . 1 . . . . . 89 V QG2 . 52591 1 161 . 1 . 1 89 89 VAL HG22 H 1 1.065 . . 1 . . . . . 89 V QG2 . 52591 1 162 . 1 . 1 89 89 VAL HG23 H 1 1.065 . . 1 . . . . . 89 V QG2 . 52591 1 163 . 1 . 1 89 89 VAL CG1 C 13 20.797 . . 1 . . . . . 89 V CG1 . 52591 1 164 . 1 . 1 89 89 VAL CG2 C 13 22.577 . . 1 . . . . . 89 V CG2 . 52591 1 165 . 1 . 1 91 91 VAL HG11 H 1 0.903 . . 1 . . . . . 91 V QG1 . 52591 1 166 . 1 . 1 91 91 VAL HG12 H 1 0.903 . . 1 . . . . . 91 V QG1 . 52591 1 167 . 1 . 1 91 91 VAL HG13 H 1 0.903 . . 1 . . . . . 91 V QG1 . 52591 1 168 . 1 . 1 91 91 VAL HG21 H 1 1.022 . . 1 . . . . . 91 V QG2 . 52591 1 169 . 1 . 1 91 91 VAL HG22 H 1 1.022 . . 1 . . . . . 91 V QG2 . 52591 1 170 . 1 . 1 91 91 VAL HG23 H 1 1.022 . . 1 . . . . . 91 V QG2 . 52591 1 171 . 1 . 1 91 91 VAL CG1 C 13 22.532 . . 1 . . . . . 91 V CG1 . 52591 1 172 . 1 . 1 91 91 VAL CG2 C 13 23.712 . . 1 . . . . . 91 V CG2 . 52591 1 173 . 1 . 1 92 92 LEU HD11 H 1 0.845 . . 1 . . . . . 92 L QD1 . 52591 1 174 . 1 . 1 92 92 LEU HD12 H 1 0.845 . . 1 . . . . . 92 L QD1 . 52591 1 175 . 1 . 1 92 92 LEU HD13 H 1 0.845 . . 1 . . . . . 92 L QD1 . 52591 1 176 . 1 . 1 92 92 LEU HD21 H 1 0.836 . . 1 . . . . . 92 L QD2 . 52591 1 177 . 1 . 1 92 92 LEU HD22 H 1 0.836 . . 1 . . . . . 92 L QD2 . 52591 1 178 . 1 . 1 92 92 LEU HD23 H 1 0.836 . . 1 . . . . . 92 L QD2 . 52591 1 179 . 1 . 1 92 92 LEU CD1 C 13 25.033 . . 1 . . . . . 92 L CD1 . 52591 1 180 . 1 . 1 92 92 LEU CD2 C 13 22.894 . . 1 . . . . . 92 L CD2 . 52591 1 181 . 1 . 1 94 94 LEU HD11 H 1 0.684 . . 1 . . . . . 94 L QD1 . 52591 1 182 . 1 . 1 94 94 LEU HD12 H 1 0.684 . . 1 . . . . . 94 L QD1 . 52591 1 183 . 1 . 1 94 94 LEU HD13 H 1 0.684 . . 1 . . . . . 94 L QD1 . 52591 1 184 . 1 . 1 94 94 LEU HD21 H 1 0.913 . . 1 . . . . . 94 L QD2 . 52591 1 185 . 1 . 1 94 94 LEU HD22 H 1 0.913 . . 1 . . . . . 94 L QD2 . 52591 1 186 . 1 . 1 94 94 LEU HD23 H 1 0.913 . . 1 . . . . . 94 L QD2 . 52591 1 187 . 1 . 1 94 94 LEU CD1 C 13 25.876 . . 1 . . . . . 94 L CD1 . 52591 1 188 . 1 . 1 94 94 LEU CD2 C 13 24.128 . . 1 . . . . . 94 L CD2 . 52591 1 189 . 1 . 1 112 112 ILE HD11 H 1 0.743 . . 1 . . . . . 112 I QD1 . 52591 1 190 . 1 . 1 112 112 ILE HD12 H 1 0.743 . . 1 . . . . . 112 I QD1 . 52591 1 191 . 1 . 1 112 112 ILE HD13 H 1 0.743 . . 1 . . . . . 112 I QD1 . 52591 1 192 . 1 . 1 112 112 ILE CD1 C 13 14.751 . . 1 . . . . . 112 I CD1 . 52591 1 193 . 1 . 1 113 113 ILE HD11 H 1 0.830 . . 1 . . . . . 113 I QD1 . 52591 1 194 . 1 . 1 113 113 ILE HD12 H 1 0.830 . . 1 . . . . . 113 I QD1 . 52591 1 195 . 1 . 1 113 113 ILE HD13 H 1 0.830 . . 1 . . . . . 113 I QD1 . 52591 1 196 . 1 . 1 113 113 ILE CD1 C 13 11.489 . . 1 . . . . . 113 I CD1 . 52591 1 197 . 1 . 1 116 116 LEU HD11 H 1 0.893 . . 1 . . . . . 116 L QD1 . 52591 1 198 . 1 . 1 116 116 LEU HD12 H 1 0.893 . . 1 . . . . . 116 L QD1 . 52591 1 199 . 1 . 1 116 116 LEU HD13 H 1 0.893 . . 1 . . . . . 116 L QD1 . 52591 1 200 . 1 . 1 116 116 LEU HD21 H 1 0.855 . . 1 . . . . . 116 L QD2 . 52591 1 201 . 1 . 1 116 116 LEU HD22 H 1 0.855 . . 1 . . . . . 116 L QD2 . 52591 1 202 . 1 . 1 116 116 LEU HD23 H 1 0.855 . . 1 . . . . . 116 L QD2 . 52591 1 203 . 1 . 1 116 116 LEU CD1 C 13 24.080 . . 1 . . . . . 116 L CD1 . 52591 1 204 . 1 . 1 116 116 LEU CD2 C 13 25.712 . . 1 . . . . . 116 L CD2 . 52591 1 205 . 1 . 1 120 120 ILE HD11 H 1 0.700 . . 1 . . . . . 120 I QD1 . 52591 1 206 . 1 . 1 120 120 ILE HD12 H 1 0.700 . . 1 . . . . . 120 I QD1 . 52591 1 207 . 1 . 1 120 120 ILE HD13 H 1 0.700 . . 1 . . . . . 120 I QD1 . 52591 1 208 . 1 . 1 120 120 ILE CD1 C 13 13.933 . . 1 . . . . . 120 I CD1 . 52591 1 209 . 1 . 1 126 126 ILE HD11 H 1 0.196 . . 1 . . . . . 126 I QD1 . 52591 1 210 . 1 . 1 126 126 ILE HD12 H 1 0.196 . . 1 . . . . . 126 I QD1 . 52591 1 211 . 1 . 1 126 126 ILE HD13 H 1 0.196 . . 1 . . . . . 126 I QD1 . 52591 1 212 . 1 . 1 126 126 ILE CD1 C 13 9.993 . . 1 . . . . . 126 I CD1 . 52591 1 213 . 1 . 1 127 127 ILE HD11 H 1 0.738 . . 1 . . . . . 127 I QD1 . 52591 1 214 . 1 . 1 127 127 ILE HD12 H 1 0.738 . . 1 . . . . . 127 I QD1 . 52591 1 215 . 1 . 1 127 127 ILE HD13 H 1 0.738 . . 1 . . . . . 127 I QD1 . 52591 1 216 . 1 . 1 127 127 ILE CD1 C 13 13.678 . . 1 . . . . . 127 I CD1 . 52591 1 217 . 1 . 1 130 130 LEU HD11 H 1 0.819 . . 1 . . . . . 130 L QD1 . 52591 1 218 . 1 . 1 130 130 LEU HD12 H 1 0.819 . . 1 . . . . . 130 L QD1 . 52591 1 219 . 1 . 1 130 130 LEU HD13 H 1 0.819 . . 1 . . . . . 130 L QD1 . 52591 1 220 . 1 . 1 130 130 LEU HD21 H 1 0.822 . . 1 . . . . . 130 L QD2 . 52591 1 221 . 1 . 1 130 130 LEU HD22 H 1 0.822 . . 1 . . . . . 130 L QD2 . 52591 1 222 . 1 . 1 130 130 LEU HD23 H 1 0.822 . . 1 . . . . . 130 L QD2 . 52591 1 223 . 1 . 1 130 130 LEU CD1 C 13 25.859 . . 1 . . . . . 130 L CD1 . 52591 1 224 . 1 . 1 130 130 LEU CD2 C 13 22.427 . . 1 . . . . . 130 L CD2 . 52591 1 stop_ save_