################################### # 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 27974 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 TROSY-HSQC' . . . 27974 1 2 '2D 1H-13C HMQC methyl' . . . 27974 1 3 '2D 1H-13C HMQC methyl' . . . 27974 1 4 '3D 1H-13C NOESY aliphatic (CCH)' . . . 27974 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 $CCPN . . 27974 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 28 28 LEU HD11 H 1 0.941 0.020 . 1 . . . . . 28 Leu HD11 . 27974 1 2 . 1 . 1 28 28 LEU HD12 H 1 0.941 0.020 . 1 . . . . . 28 Leu HD12 . 27974 1 3 . 1 . 1 28 28 LEU HD13 H 1 0.941 0.020 . 1 . . . . . 28 Leu HD13 . 27974 1 4 . 1 . 1 28 28 LEU HD21 H 1 0.950 0.020 . 1 . . . . . 28 Leu HD21 . 27974 1 5 . 1 . 1 28 28 LEU HD22 H 1 0.950 0.020 . 1 . . . . . 28 Leu HD22 . 27974 1 6 . 1 . 1 28 28 LEU HD23 H 1 0.950 0.020 . 1 . . . . . 28 Leu HD23 . 27974 1 7 . 1 . 1 28 28 LEU CD1 C 13 25.580 0.300 . 1 . . . . . 28 Leu CD1 . 27974 1 8 . 1 . 1 28 28 LEU CD2 C 13 24.664 0.300 . 1 . . . . . 28 Leu CD2 . 27974 1 9 . 1 . 1 31 31 LEU HD11 H 1 0.771 0.020 . 1 . . . . . 31 Leu HD11 . 27974 1 10 . 1 . 1 31 31 LEU HD12 H 1 0.771 0.020 . 1 . . . . . 31 Leu HD12 . 27974 1 11 . 1 . 1 31 31 LEU HD13 H 1 0.771 0.020 . 1 . . . . . 31 Leu HD13 . 27974 1 12 . 1 . 1 31 31 LEU HD21 H 1 0.962 0.020 . 1 . . . . . 31 Leu HD21 . 27974 1 13 . 1 . 1 31 31 LEU HD22 H 1 0.962 0.020 . 1 . . . . . 31 Leu HD22 . 27974 1 14 . 1 . 1 31 31 LEU HD23 H 1 0.962 0.020 . 1 . . . . . 31 Leu HD23 . 27974 1 15 . 1 . 1 31 31 LEU CD1 C 13 26.536 0.300 . 1 . . . . . 31 Leu CD1 . 27974 1 16 . 1 . 1 31 31 LEU CD2 C 13 23.064 0.300 . 1 . . . . . 31 Leu CD2 . 27974 1 17 . 1 . 1 32 32 LEU HD11 H 1 1.036 0.020 . 1 . . . . . 32 Leu HD11 . 27974 1 18 . 1 . 1 32 32 LEU HD12 H 1 1.036 0.020 . 1 . . . . . 32 Leu HD12 . 27974 1 19 . 1 . 1 32 32 LEU HD13 H 1 1.036 0.020 . 1 . . . . . 32 Leu HD13 . 27974 1 20 . 1 . 1 32 32 LEU HD21 H 1 0.944 0.020 . 1 . . . . . 32 Leu HD21 . 27974 1 21 . 1 . 1 32 32 LEU HD22 H 1 0.944 0.020 . 1 . . . . . 32 Leu HD22 . 27974 1 22 . 1 . 1 32 32 LEU HD23 H 1 0.944 0.020 . 1 . . . . . 32 Leu HD23 . 27974 1 23 . 1 . 1 32 32 LEU CD1 C 13 25.532 0.300 . 1 . . . . . 32 Leu CD1 . 27974 1 24 . 1 . 1 32 32 LEU CD2 C 13 26.498 0.300 . 1 . . . . . 32 Leu CD2 . 27974 1 25 . 1 . 1 33 33 MET HE1 H 1 2.124 0.020 . 1 . . . . . 33 Met HE1 . 27974 1 26 . 1 . 1 33 33 MET HE2 H 1 2.124 0.020 . 1 . . . . . 33 Met HE2 . 27974 1 27 . 1 . 1 33 33 MET HE3 H 1 2.124 0.020 . 1 . . . . . 33 Met HE3 . 27974 1 28 . 1 . 1 33 33 MET CE C 13 16.998 0.300 . 1 . . . . . 33 Met CE . 27974 1 29 . 1 . 1 35 35 LEU HD11 H 1 0.777 0.020 . 1 . . . . . 35 Leu HD11 . 27974 1 30 . 1 . 1 35 35 LEU HD12 H 1 0.777 0.020 . 1 . . . . . 35 Leu HD12 . 27974 1 31 . 1 . 1 35 35 LEU HD13 H 1 0.777 0.020 . 1 . . . . . 35 Leu HD13 . 27974 1 32 . 1 . 1 35 35 LEU HD21 H 1 0.711 0.020 . 1 . . . . . 35 Leu HD21 . 27974 1 33 . 1 . 1 35 35 LEU HD22 H 1 0.711 0.020 . 1 . . . . . 35 Leu HD22 . 27974 1 34 . 1 . 1 35 35 LEU HD23 H 1 0.711 0.020 . 1 . . . . . 35 Leu HD23 . 27974 1 35 . 1 . 1 35 35 LEU CD1 C 13 26.850 0.300 . 1 . . . . . 35 Leu CD1 . 27974 1 36 . 1 . 1 35 35 LEU CD2 C 13 21.545 0.300 . 1 . . . . . 35 Leu CD2 . 27974 1 37 . 1 . 1 38 38 LEU HD11 H 1 0.824 0.020 . 1 . . . . . 38 Leu HD11 . 27974 1 38 . 1 . 1 38 38 LEU HD12 H 1 0.824 0.020 . 1 . . . . . 38 Leu HD12 . 27974 1 39 . 1 . 1 38 38 LEU HD13 H 1 0.824 0.020 . 1 . . . . . 38 Leu HD13 . 27974 1 40 . 1 . 1 38 38 LEU HD21 H 1 0.870 0.020 . 1 . . . . . 38 Leu HD21 . 27974 1 41 . 1 . 1 38 38 LEU HD22 H 1 0.870 0.020 . 1 . . . . . 38 Leu HD22 . 27974 1 42 . 1 . 1 38 38 LEU HD23 H 1 0.870 0.020 . 1 . . . . . 38 Leu HD23 . 27974 1 43 . 1 . 1 38 38 LEU CD1 C 13 23.095 0.300 . 1 . . . . . 38 Leu CD1 . 27974 1 44 . 1 . 1 38 38 LEU CD2 C 13 25.503 0.300 . 1 . . . . . 38 Leu CD2 . 27974 1 45 . 1 . 1 39 39 LEU HD11 H 1 0.859 0.020 . 1 . . . . . 39 Leu HD11 . 27974 1 46 . 1 . 1 39 39 LEU HD12 H 1 0.859 0.020 . 1 . . . . . 39 Leu HD12 . 27974 1 47 . 1 . 1 39 39 LEU HD13 H 1 0.859 0.020 . 1 . . . . . 39 Leu HD13 . 27974 1 48 . 1 . 1 39 39 LEU HD21 H 1 0.751 0.020 . 1 . . . . . 39 Leu HD21 . 27974 1 49 . 1 . 1 39 39 LEU HD22 H 1 0.751 0.020 . 1 . . . . . 39 Leu HD22 . 27974 1 50 . 1 . 1 39 39 LEU HD23 H 1 0.751 0.020 . 1 . . . . . 39 Leu HD23 . 27974 1 51 . 1 . 1 39 39 LEU CD1 C 13 25.458 0.300 . 1 . . . . . 39 Leu CD1 . 27974 1 52 . 1 . 1 39 39 LEU CD2 C 13 22.094 0.300 . 1 . . . . . 39 Leu CD2 . 27974 1 53 . 1 . 1 42 42 MET HE1 H 1 1.833 0.020 . 1 . . . . . 42 Met HE1 . 27974 1 54 . 1 . 1 42 42 MET HE2 H 1 1.833 0.020 . 1 . . . . . 42 Met HE2 . 27974 1 55 . 1 . 1 42 42 MET HE3 H 1 1.833 0.020 . 1 . . . . . 42 Met HE3 . 27974 1 56 . 1 . 1 42 42 MET CE C 13 18.387 0.300 . 1 . . . . . 42 Met CE . 27974 1 57 . 1 . 1 48 48 LEU HD11 H 1 0.892 0.020 . 1 . . . . . 48 Leu HD11 . 27974 1 58 . 1 . 1 48 48 LEU HD12 H 1 0.892 0.020 . 1 . . . . . 48 Leu HD12 . 27974 1 59 . 1 . 1 48 48 LEU HD13 H 1 0.892 0.020 . 1 . . . . . 48 Leu HD13 . 27974 1 60 . 1 . 1 48 48 LEU HD21 H 1 0.888 0.020 . 1 . . . . . 48 Leu HD21 . 27974 1 61 . 1 . 1 48 48 LEU HD22 H 1 0.888 0.020 . 1 . . . . . 48 Leu HD22 . 27974 1 62 . 1 . 1 48 48 LEU HD23 H 1 0.888 0.020 . 1 . . . . . 48 Leu HD23 . 27974 1 63 . 1 . 1 48 48 LEU CD1 C 13 25.079 0.300 . 1 . . . . . 48 Leu CD1 . 27974 1 64 . 1 . 1 48 48 LEU CD2 C 13 22.861 0.300 . 1 . . . . . 48 Leu CD2 . 27974 1 65 . 1 . 1 50 50 LEU HD11 H 1 0.885 0.020 . 1 . . . . . 50 Leu HD11 . 27974 1 66 . 1 . 1 50 50 LEU HD12 H 1 0.885 0.020 . 1 . . . . . 50 Leu HD12 . 27974 1 67 . 1 . 1 50 50 LEU HD13 H 1 0.885 0.020 . 1 . . . . . 50 Leu HD13 . 27974 1 68 . 1 . 1 50 50 LEU HD21 H 1 0.904 0.020 . 1 . . . . . 50 Leu HD21 . 27974 1 69 . 1 . 1 50 50 LEU HD22 H 1 0.904 0.020 . 1 . . . . . 50 Leu HD22 . 27974 1 70 . 1 . 1 50 50 LEU HD23 H 1 0.904 0.020 . 1 . . . . . 50 Leu HD23 . 27974 1 71 . 1 . 1 50 50 LEU CD1 C 13 25.670 0.300 . 1 . . . . . 50 Leu CD1 . 27974 1 72 . 1 . 1 50 50 LEU CD2 C 13 22.913 0.300 . 1 . . . . . 50 Leu CD2 . 27974 1 73 . 1 . 1 53 53 MET HE1 H 1 2.048 0.020 . 1 . . . . . 53 Met HE1 . 27974 1 74 . 1 . 1 53 53 MET HE2 H 1 2.048 0.020 . 1 . . . . . 53 Met HE2 . 27974 1 75 . 1 . 1 53 53 MET HE3 H 1 2.048 0.020 . 1 . . . . . 53 Met HE3 . 27974 1 76 . 1 . 1 53 53 MET CE C 13 17.995 0.300 . 1 . . . . . 53 Met CE . 27974 1 77 . 1 . 1 54 54 LEU HD11 H 1 0.820 0.020 . 1 . . . . . 54 Leu HD11 . 27974 1 78 . 1 . 1 54 54 LEU HD12 H 1 0.820 0.020 . 1 . . . . . 54 Leu HD12 . 27974 1 79 . 1 . 1 54 54 LEU HD13 H 1 0.820 0.020 . 1 . . . . . 54 Leu HD13 . 27974 1 80 . 1 . 1 54 54 LEU HD21 H 1 0.856 0.020 . 1 . . . . . 54 Leu HD21 . 27974 1 81 . 1 . 1 54 54 LEU HD22 H 1 0.856 0.020 . 1 . . . . . 54 Leu HD22 . 27974 1 82 . 1 . 1 54 54 LEU HD23 H 1 0.856 0.020 . 1 . . . . . 54 Leu HD23 . 27974 1 83 . 1 . 1 54 54 LEU CD1 C 13 24.972 0.300 . 1 . . . . . 54 Leu CD1 . 27974 1 84 . 1 . 1 54 54 LEU CD2 C 13 24.428 0.300 . 1 . . . . . 54 Leu CD2 . 27974 1 85 . 1 . 1 60 60 LEU HD11 H 1 0.959 0.020 . 1 . . . . . 60 Leu HD11 . 27974 1 86 . 1 . 1 60 60 LEU HD12 H 1 0.959 0.020 . 1 . . . . . 60 Leu HD12 . 27974 1 87 . 1 . 1 60 60 LEU HD13 H 1 0.959 0.020 . 1 . . . . . 60 Leu HD13 . 27974 1 88 . 1 . 1 60 60 LEU HD21 H 1 0.932 0.020 . 1 . . . . . 60 Leu HD21 . 27974 1 89 . 1 . 1 60 60 LEU HD22 H 1 0.932 0.020 . 1 . . . . . 60 Leu HD22 . 27974 1 90 . 1 . 1 60 60 LEU HD23 H 1 0.932 0.020 . 1 . . . . . 60 Leu HD23 . 27974 1 91 . 1 . 1 60 60 LEU CD1 C 13 25.152 0.300 . 1 . . . . . 60 Leu CD1 . 27974 1 92 . 1 . 1 60 60 LEU CD2 C 13 22.396 0.300 . 1 . . . . . 60 Leu CD2 . 27974 1 93 . 1 . 1 67 67 LEU HD11 H 1 1.040 0.020 . 1 . . . . . 67 Leu HD11 . 27974 1 94 . 1 . 1 67 67 LEU HD12 H 1 1.040 0.020 . 1 . . . . . 67 Leu HD12 . 27974 1 95 . 1 . 1 67 67 LEU HD13 H 1 1.040 0.020 . 1 . . . . . 67 Leu HD13 . 27974 1 96 . 1 . 1 67 67 LEU HD21 H 1 0.991 0.020 . 1 . . . . . 67 Leu HD21 . 27974 1 97 . 1 . 1 67 67 LEU HD22 H 1 0.991 0.020 . 1 . . . . . 67 Leu HD22 . 27974 1 98 . 1 . 1 67 67 LEU HD23 H 1 0.991 0.020 . 1 . . . . . 67 Leu HD23 . 27974 1 99 . 1 . 1 67 67 LEU CD1 C 13 25.655 0.300 . 1 . . . . . 67 Leu CD1 . 27974 1 100 . 1 . 1 67 67 LEU CD2 C 13 23.836 0.300 . 1 . . . . . 67 Leu CD2 . 27974 1 101 . 1 . 1 70 70 LEU HD11 H 1 1.024 0.020 . 1 . . . . . 70 Leu HD11 . 27974 1 102 . 1 . 1 70 70 LEU HD12 H 1 1.024 0.020 . 1 . . . . . 70 Leu HD12 . 27974 1 103 . 1 . 1 70 70 LEU HD13 H 1 1.024 0.020 . 1 . . . . . 70 Leu HD13 . 27974 1 104 . 1 . 1 70 70 LEU HD21 H 1 0.650 0.020 . 1 . . . . . 70 Leu HD21 . 27974 1 105 . 1 . 1 70 70 LEU HD22 H 1 0.650 0.020 . 1 . . . . . 70 Leu HD22 . 27974 1 106 . 1 . 1 70 70 LEU HD23 H 1 0.650 0.020 . 1 . . . . . 70 Leu HD23 . 27974 1 107 . 1 . 1 70 70 LEU CD1 C 13 28.069 0.300 . 1 . . . . . 70 Leu CD1 . 27974 1 108 . 1 . 1 70 70 LEU CD2 C 13 24.516 0.300 . 1 . . . . . 70 Leu CD2 . 27974 1 109 . 1 . 1 73 73 LEU HD11 H 1 0.967 0.020 . 1 . . . . . 73 Leu HD11 . 27974 1 110 . 1 . 1 73 73 LEU HD12 H 1 0.967 0.020 . 1 . . . . . 73 Leu HD12 . 27974 1 111 . 1 . 1 73 73 LEU HD13 H 1 0.967 0.020 . 1 . . . . . 73 Leu HD13 . 27974 1 112 . 1 . 1 73 73 LEU HD21 H 1 0.949 0.020 . 1 . . . . . 73 Leu HD21 . 27974 1 113 . 1 . 1 73 73 LEU HD22 H 1 0.949 0.020 . 1 . . . . . 73 Leu HD22 . 27974 1 114 . 1 . 1 73 73 LEU HD23 H 1 0.949 0.020 . 1 . . . . . 73 Leu HD23 . 27974 1 115 . 1 . 1 73 73 LEU CD1 C 13 24.658 0.300 . 1 . . . . . 73 Leu CD1 . 27974 1 116 . 1 . 1 73 73 LEU CD2 C 13 24.413 0.300 . 1 . . . . . 73 Leu CD2 . 27974 1 117 . 1 . 1 77 77 LEU HD11 H 1 0.921 0.020 . 1 . . . . . 77 Leu HD11 . 27974 1 118 . 1 . 1 77 77 LEU HD12 H 1 0.921 0.020 . 1 . . . . . 77 Leu HD12 . 27974 1 119 . 1 . 1 77 77 LEU HD13 H 1 0.921 0.020 . 1 . . . . . 77 Leu HD13 . 27974 1 120 . 1 . 1 77 77 LEU HD21 H 1 0.798 0.020 . 1 . . . . . 77 Leu HD21 . 27974 1 121 . 1 . 1 77 77 LEU HD22 H 1 0.798 0.020 . 1 . . . . . 77 Leu HD22 . 27974 1 122 . 1 . 1 77 77 LEU HD23 H 1 0.798 0.020 . 1 . . . . . 77 Leu HD23 . 27974 1 123 . 1 . 1 77 77 LEU CD1 C 13 24.225 0.300 . 1 . . . . . 77 Leu CD1 . 27974 1 124 . 1 . 1 77 77 LEU CD2 C 13 27.249 0.300 . 1 . . . . . 77 Leu CD2 . 27974 1 125 . 1 . 1 80 80 LEU HD11 H 1 0.763 0.020 . 1 . . . . . 80 Leu HD11 . 27974 1 126 . 1 . 1 80 80 LEU HD12 H 1 0.763 0.020 . 1 . . . . . 80 Leu HD12 . 27974 1 127 . 1 . 1 80 80 LEU HD13 H 1 0.763 0.020 . 1 . . . . . 80 Leu HD13 . 27974 1 128 . 1 . 1 80 80 LEU HD21 H 1 0.583 0.020 . 1 . . . . . 80 Leu HD21 . 27974 1 129 . 1 . 1 80 80 LEU HD22 H 1 0.583 0.020 . 1 . . . . . 80 Leu HD22 . 27974 1 130 . 1 . 1 80 80 LEU HD23 H 1 0.583 0.020 . 1 . . . . . 80 Leu HD23 . 27974 1 131 . 1 . 1 80 80 LEU CD1 C 13 25.482 0.300 . 1 . . . . . 80 Leu CD1 . 27974 1 132 . 1 . 1 80 80 LEU CD2 C 13 24.300 0.300 . 1 . . . . . 80 Leu CD2 . 27974 1 133 . 1 . 1 83 83 VAL HG11 H 1 0.970 0.020 . 1 . . . . . 83 Val HG11 . 27974 1 134 . 1 . 1 83 83 VAL HG12 H 1 0.970 0.020 . 1 . . . . . 83 Val HG12 . 27974 1 135 . 1 . 1 83 83 VAL HG13 H 1 0.970 0.020 . 1 . . . . . 83 Val HG13 . 27974 1 136 . 1 . 1 83 83 VAL HG21 H 1 0.929 0.020 . 1 . . . . . 83 Val HG21 . 27974 1 137 . 1 . 1 83 83 VAL HG22 H 1 0.929 0.020 . 1 . . . . . 83 Val HG22 . 27974 1 138 . 1 . 1 83 83 VAL HG23 H 1 0.929 0.020 . 1 . . . . . 83 Val HG23 . 27974 1 139 . 1 . 1 83 83 VAL CG1 C 13 22.279 0.300 . 1 . . . . . 83 Val CG1 . 27974 1 140 . 1 . 1 83 83 VAL CG2 C 13 23.529 0.300 . 1 . . . . . 83 Val CG2 . 27974 1 141 . 1 . 1 84 84 LEU HD11 H 1 1.024 0.020 . 1 . . . . . 84 Leu HD11 . 27974 1 142 . 1 . 1 84 84 LEU HD12 H 1 1.024 0.020 . 1 . . . . . 84 Leu HD12 . 27974 1 143 . 1 . 1 84 84 LEU HD13 H 1 1.024 0.020 . 1 . . . . . 84 Leu HD13 . 27974 1 144 . 1 . 1 84 84 LEU HD21 H 1 0.883 0.020 . 1 . . . . . 84 Leu HD21 . 27974 1 145 . 1 . 1 84 84 LEU HD22 H 1 0.883 0.020 . 1 . . . . . 84 Leu HD22 . 27974 1 146 . 1 . 1 84 84 LEU HD23 H 1 0.883 0.020 . 1 . . . . . 84 Leu HD23 . 27974 1 147 . 1 . 1 84 84 LEU CD1 C 13 24.198 0.300 . 1 . . . . . 84 Leu CD1 . 27974 1 148 . 1 . 1 84 84 LEU CD2 C 13 26.990 0.300 . 1 . . . . . 84 Leu CD2 . 27974 1 149 . 1 . 1 86 86 LEU HD11 H 1 0.873 0.020 . 1 . . . . . 86 Leu HD11 . 27974 1 150 . 1 . 1 86 86 LEU HD12 H 1 0.873 0.020 . 1 . . . . . 86 Leu HD12 . 27974 1 151 . 1 . 1 86 86 LEU HD13 H 1 0.873 0.020 . 1 . . . . . 86 Leu HD13 . 27974 1 152 . 1 . 1 86 86 LEU HD21 H 1 0.898 0.020 . 1 . . . . . 86 Leu HD21 . 27974 1 153 . 1 . 1 86 86 LEU HD22 H 1 0.898 0.020 . 1 . . . . . 86 Leu HD22 . 27974 1 154 . 1 . 1 86 86 LEU HD23 H 1 0.898 0.020 . 1 . . . . . 86 Leu HD23 . 27974 1 155 . 1 . 1 86 86 LEU CD1 C 13 25.084 0.300 . 1 . . . . . 86 Leu CD1 . 27974 1 156 . 1 . 1 86 86 LEU CD2 C 13 24.656 0.300 . 1 . . . . . 86 Leu CD2 . 27974 1 157 . 1 . 1 94 94 LEU HD11 H 1 0.880 0.020 . 1 . . . . . 94 Leu HD11 . 27974 1 158 . 1 . 1 94 94 LEU HD12 H 1 0.880 0.020 . 1 . . . . . 94 Leu HD12 . 27974 1 159 . 1 . 1 94 94 LEU HD13 H 1 0.880 0.020 . 1 . . . . . 94 Leu HD13 . 27974 1 160 . 1 . 1 94 94 LEU HD21 H 1 0.831 0.020 . 1 . . . . . 94 Leu HD21 . 27974 1 161 . 1 . 1 94 94 LEU HD22 H 1 0.831 0.020 . 1 . . . . . 94 Leu HD22 . 27974 1 162 . 1 . 1 94 94 LEU HD23 H 1 0.831 0.020 . 1 . . . . . 94 Leu HD23 . 27974 1 163 . 1 . 1 94 94 LEU CD1 C 13 24.792 0.300 . 1 . . . . . 94 Leu CD1 . 27974 1 164 . 1 . 1 94 94 LEU CD2 C 13 23.875 0.300 . 1 . . . . . 94 Leu CD2 . 27974 1 165 . 1 . 1 101 101 ILE HD11 H 1 0.746 0.020 . 1 . . . . . 101 Ile HD11 . 27974 1 166 . 1 . 1 101 101 ILE HD12 H 1 0.746 0.020 . 1 . . . . . 101 Ile HD12 . 27974 1 167 . 1 . 1 101 101 ILE HD13 H 1 0.746 0.020 . 1 . . . . . 101 Ile HD13 . 27974 1 168 . 1 . 1 101 101 ILE CD1 C 13 15.023 0.300 . 1 . . . . . 101 Ile CD1 . 27974 1 169 . 1 . 1 104 104 ILE HD11 H 1 0.708 0.020 . 1 . . . . . 104 Ile HD11 . 27974 1 170 . 1 . 1 104 104 ILE HD12 H 1 0.708 0.020 . 1 . . . . . 104 Ile HD12 . 27974 1 171 . 1 . 1 104 104 ILE HD13 H 1 0.708 0.020 . 1 . . . . . 104 Ile HD13 . 27974 1 172 . 1 . 1 104 104 ILE CD1 C 13 13.642 0.300 . 1 . . . . . 104 Ile CD1 . 27974 1 173 . 1 . 1 106 106 VAL HG11 H 1 0.945 0.020 . 1 . . . . . 106 Val HG11 . 27974 1 174 . 1 . 1 106 106 VAL HG12 H 1 0.945 0.020 . 1 . . . . . 106 Val HG12 . 27974 1 175 . 1 . 1 106 106 VAL HG13 H 1 0.945 0.020 . 1 . . . . . 106 Val HG13 . 27974 1 176 . 1 . 1 106 106 VAL HG21 H 1 1.098 0.020 . 1 . . . . . 106 Val HG21 . 27974 1 177 . 1 . 1 106 106 VAL HG22 H 1 1.098 0.020 . 1 . . . . . 106 Val HG22 . 27974 1 178 . 1 . 1 106 106 VAL HG23 H 1 1.098 0.020 . 1 . . . . . 106 Val HG23 . 27974 1 179 . 1 . 1 106 106 VAL CG1 C 13 21.066 0.300 . 1 . . . . . 106 Val CG1 . 27974 1 180 . 1 . 1 106 106 VAL CG2 C 13 22.440 0.300 . 1 . . . . . 106 Val CG2 . 27974 1 181 . 1 . 1 108 108 VAL HG11 H 1 0.858 0.020 . 1 . . . . . 108 Val HG11 . 27974 1 182 . 1 . 1 108 108 VAL HG12 H 1 0.858 0.020 . 1 . . . . . 108 Val HG12 . 27974 1 183 . 1 . 1 108 108 VAL HG13 H 1 0.858 0.020 . 1 . . . . . 108 Val HG13 . 27974 1 184 . 1 . 1 108 108 VAL HG21 H 1 0.968 0.020 . 1 . . . . . 108 Val HG21 . 27974 1 185 . 1 . 1 108 108 VAL HG22 H 1 0.968 0.020 . 1 . . . . . 108 Val HG22 . 27974 1 186 . 1 . 1 108 108 VAL HG23 H 1 0.968 0.020 . 1 . . . . . 108 Val HG23 . 27974 1 187 . 1 . 1 108 108 VAL CG1 C 13 22.678 0.300 . 1 . . . . . 108 Val CG1 . 27974 1 188 . 1 . 1 108 108 VAL CG2 C 13 25.029 0.300 . 1 . . . . . 108 Val CG2 . 27974 1 189 . 1 . 1 109 109 VAL HG11 H 1 0.893 0.020 . 1 . . . . . 109 Val HG11 . 27974 1 190 . 1 . 1 109 109 VAL HG12 H 1 0.893 0.020 . 1 . . . . . 109 Val HG12 . 27974 1 191 . 1 . 1 109 109 VAL HG13 H 1 0.893 0.020 . 1 . . . . . 109 Val HG13 . 27974 1 192 . 1 . 1 109 109 VAL HG21 H 1 1.038 0.020 . 1 . . . . . 109 Val HG21 . 27974 1 193 . 1 . 1 109 109 VAL HG22 H 1 1.038 0.020 . 1 . . . . . 109 Val HG22 . 27974 1 194 . 1 . 1 109 109 VAL HG23 H 1 1.038 0.020 . 1 . . . . . 109 Val HG23 . 27974 1 195 . 1 . 1 109 109 VAL CG1 C 13 21.305 0.300 . 1 . . . . . 109 Val CG1 . 27974 1 196 . 1 . 1 109 109 VAL CG2 C 13 23.592 0.300 . 1 . . . . . 109 Val CG2 . 27974 1 197 . 1 . 1 111 111 LEU HD11 H 1 0.767 0.020 . 1 . . . . . 111 Leu HD11 . 27974 1 198 . 1 . 1 111 111 LEU HD12 H 1 0.767 0.020 . 1 . . . . . 111 Leu HD12 . 27974 1 199 . 1 . 1 111 111 LEU HD13 H 1 0.767 0.020 . 1 . . . . . 111 Leu HD13 . 27974 1 200 . 1 . 1 111 111 LEU HD21 H 1 1.155 0.020 . 1 . . . . . 111 Leu HD21 . 27974 1 201 . 1 . 1 111 111 LEU HD22 H 1 1.155 0.020 . 1 . . . . . 111 Leu HD22 . 27974 1 202 . 1 . 1 111 111 LEU HD23 H 1 1.155 0.020 . 1 . . . . . 111 Leu HD23 . 27974 1 203 . 1 . 1 111 111 LEU CD1 C 13 26.544 0.300 . 1 . . . . . 111 Leu CD1 . 27974 1 204 . 1 . 1 111 111 LEU CD2 C 13 24.177 0.300 . 1 . . . . . 111 Leu CD2 . 27974 1 205 . 1 . 1 129 129 VAL HG11 H 1 0.977 0.020 . 1 . . . . . 129 Val HG11 . 27974 1 206 . 1 . 1 129 129 VAL HG12 H 1 0.977 0.020 . 1 . . . . . 129 Val HG12 . 27974 1 207 . 1 . 1 129 129 VAL HG13 H 1 0.977 0.020 . 1 . . . . . 129 Val HG13 . 27974 1 208 . 1 . 1 129 129 VAL HG21 H 1 0.515 0.020 . 1 . . . . . 129 Val HG21 . 27974 1 209 . 1 . 1 129 129 VAL HG22 H 1 0.515 0.020 . 1 . . . . . 129 Val HG22 . 27974 1 210 . 1 . 1 129 129 VAL HG23 H 1 0.515 0.020 . 1 . . . . . 129 Val HG23 . 27974 1 211 . 1 . 1 129 129 VAL CG1 C 13 19.584 0.300 . 1 . . . . . 129 Val CG1 . 27974 1 212 . 1 . 1 129 129 VAL CG2 C 13 21.638 0.300 . 1 . . . . . 129 Val CG2 . 27974 1 213 . 1 . 1 130 130 VAL HG11 H 1 0.888 0.020 . 1 . . . . . 130 Val HG11 . 27974 1 214 . 1 . 1 130 130 VAL HG12 H 1 0.888 0.020 . 1 . . . . . 130 Val HG12 . 27974 1 215 . 1 . 1 130 130 VAL HG13 H 1 0.888 0.020 . 1 . . . . . 130 Val HG13 . 27974 1 216 . 1 . 1 130 130 VAL HG21 H 1 0.907 0.020 . 1 . . . . . 130 Val HG21 . 27974 1 217 . 1 . 1 130 130 VAL HG22 H 1 0.907 0.020 . 1 . . . . . 130 Val HG22 . 27974 1 218 . 1 . 1 130 130 VAL HG23 H 1 0.907 0.020 . 1 . . . . . 130 Val HG23 . 27974 1 219 . 1 . 1 130 130 VAL CG1 C 13 21.234 0.300 . 1 . . . . . 130 Val CG1 . 27974 1 220 . 1 . 1 130 130 VAL CG2 C 13 22.067 0.300 . 1 . . . . . 130 Val CG2 . 27974 1 221 . 1 . 1 133 133 LEU HD11 H 1 0.141 0.020 . 1 . . . . . 133 Leu HD11 . 27974 1 222 . 1 . 1 133 133 LEU HD12 H 1 0.141 0.020 . 1 . . . . . 133 Leu HD12 . 27974 1 223 . 1 . 1 133 133 LEU HD13 H 1 0.141 0.020 . 1 . . . . . 133 Leu HD13 . 27974 1 224 . 1 . 1 133 133 LEU HD21 H 1 0.301 0.020 . 1 . . . . . 133 Leu HD21 . 27974 1 225 . 1 . 1 133 133 LEU HD22 H 1 0.301 0.020 . 1 . . . . . 133 Leu HD22 . 27974 1 226 . 1 . 1 133 133 LEU HD23 H 1 0.301 0.020 . 1 . . . . . 133 Leu HD23 . 27974 1 227 . 1 . 1 133 133 LEU CD1 C 13 23.058 0.300 . 1 . . . . . 133 Leu CD1 . 27974 1 228 . 1 . 1 133 133 LEU CD2 C 13 25.231 0.300 . 1 . . . . . 133 Leu CD2 . 27974 1 229 . 1 . 1 137 137 ILE HD11 H 1 0.769 0.020 . 1 . . . . . 137 Ile HD11 . 27974 1 230 . 1 . 1 137 137 ILE HD12 H 1 0.769 0.020 . 1 . . . . . 137 Ile HD12 . 27974 1 231 . 1 . 1 137 137 ILE HD13 H 1 0.769 0.020 . 1 . . . . . 137 Ile HD13 . 27974 1 232 . 1 . 1 137 137 ILE CD1 C 13 9.629 0.300 . 1 . . . . . 137 Ile CD1 . 27974 1 233 . 1 . 1 143 143 ILE HD11 H 1 0.318 0.020 . 1 . . . . . 143 Ile HD11 . 27974 1 234 . 1 . 1 143 143 ILE HD12 H 1 0.318 0.020 . 1 . . . . . 143 Ile HD12 . 27974 1 235 . 1 . 1 143 143 ILE HD13 H 1 0.318 0.020 . 1 . . . . . 143 Ile HD13 . 27974 1 236 . 1 . 1 143 143 ILE CD1 C 13 11.372 0.300 . 1 . . . . . 143 Ile CD1 . 27974 1 237 . 1 . 1 144 144 ILE HD11 H 1 0.766 0.020 . 1 . . . . . 144 Ile HD11 . 27974 1 238 . 1 . 1 144 144 ILE HD12 H 1 0.766 0.020 . 1 . . . . . 144 Ile HD12 . 27974 1 239 . 1 . 1 144 144 ILE HD13 H 1 0.766 0.020 . 1 . . . . . 144 Ile HD13 . 27974 1 240 . 1 . 1 144 144 ILE CD1 C 13 14.107 0.300 . 1 . . . . . 144 Ile CD1 . 27974 1 stop_ save_