################################### # 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_Ub_S65E_methyl_resonances_in_complex_with_parkin_R0RBR _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Ub_S65E_methyl_resonances_in_complex_with_parkin_R0RBR _Assigned_chem_shift_list.Entry_ID 25709 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HMQC aliphatic' . . . 25709 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 MET HE1 H 1 1.6696 0.00021 . 1 . . . . 1 MET HE1 . 25709 1 2 . 1 1 4 4 MET HE2 H 1 1.6696 0.00021 . 1 . . . . 1 MET HE1 . 25709 1 3 . 1 1 4 4 MET HE3 H 1 1.6696 0.00021 . 1 . . . . 1 MET HE1 . 25709 1 4 . 1 1 4 4 MET CE C 13 17.5666 0.02000 . 1 . . . . 1 MET CE . 25709 1 5 . 1 1 6 6 ILE HG21 H 1 0.6500 0.00021 . 1 . . . . 3 ILE HG21 . 25709 1 6 . 1 1 6 6 ILE HG22 H 1 0.6500 0.00021 . 1 . . . . 3 ILE HG21 . 25709 1 7 . 1 1 6 6 ILE HG23 H 1 0.6500 0.00021 . 1 . . . . 3 ILE HG21 . 25709 1 8 . 1 1 6 6 ILE HD11 H 1 0.6211 0.00021 . 1 . . . . 3 ILE HD11 . 25709 1 9 . 1 1 6 6 ILE HD12 H 1 0.6211 0.00021 . 1 . . . . 3 ILE HD11 . 25709 1 10 . 1 1 6 6 ILE HD13 H 1 0.6211 0.00021 . 1 . . . . 3 ILE HD11 . 25709 1 11 . 1 1 6 6 ILE CG2 C 13 17.7370 0.02000 . 1 . . . . 3 ILE CG2 . 25709 1 12 . 1 1 6 6 ILE CD1 C 13 14.2562 0.02000 . 1 . . . . 3 ILE CD1 . 25709 1 13 . 1 1 8 8 VAL HG11 H 1 0.7411 0.00021 . 2 . . . . 5 VAL HG11 . 25709 1 14 . 1 1 8 8 VAL HG12 H 1 0.7411 0.00021 . 2 . . . . 5 VAL HG11 . 25709 1 15 . 1 1 8 8 VAL HG13 H 1 0.7411 0.00021 . 2 . . . . 5 VAL HG11 . 25709 1 16 . 1 1 8 8 VAL HG21 H 1 0.7036 0.00021 . 2 . . . . 5 VAL HG21 . 25709 1 17 . 1 1 8 8 VAL HG22 H 1 0.7036 0.00021 . 2 . . . . 5 VAL HG21 . 25709 1 18 . 1 1 8 8 VAL HG23 H 1 0.7036 0.00021 . 2 . . . . 5 VAL HG21 . 25709 1 19 . 1 1 8 8 VAL CG1 C 13 20.9731 0.02000 . 2 . . . . 5 VAL CG1 . 25709 1 20 . 1 1 8 8 VAL CG2 C 13 22.2845 0.02000 . 2 . . . . 5 VAL CG2 . 25709 1 21 . 1 1 10 10 THR HG21 H 1 1.1558 0.00021 . 1 . . . . 7 THR HG21 . 25709 1 22 . 1 1 10 10 THR HG22 H 1 1.1558 0.00021 . 1 . . . . 7 THR HG21 . 25709 1 23 . 1 1 10 10 THR HG23 H 1 1.1558 0.00021 . 1 . . . . 7 THR HG21 . 25709 1 24 . 1 1 10 10 THR CG2 C 13 21.0031 0.02000 . 1 . . . . 7 THR CG2 . 25709 1 25 . 1 1 11 11 LEU HD21 H 1 0.9814 0.00021 . 2 . . . . 8 LEU HD21 . 25709 1 26 . 1 1 11 11 LEU HD22 H 1 0.9814 0.00021 . 2 . . . . 8 LEU HD21 . 25709 1 27 . 1 1 11 11 LEU HD23 H 1 0.9814 0.00021 . 2 . . . . 8 LEU HD21 . 25709 1 28 . 1 1 11 11 LEU CD2 C 13 23.4203 0.02000 . 2 . . . . 8 LEU CD2 . 25709 1 29 . 1 1 12 12 THR HG21 H 1 1.2672 0.00021 . 1 . . . . 9 THR HG21 . 25709 1 30 . 1 1 12 12 THR HG22 H 1 1.2672 0.00021 . 1 . . . . 9 THR HG21 . 25709 1 31 . 1 1 12 12 THR HG23 H 1 1.2672 0.00021 . 1 . . . . 9 THR HG21 . 25709 1 32 . 1 1 12 12 THR CG2 C 13 23.4339 0.02000 . 1 . . . . 9 THR CG2 . 25709 1 33 . 1 1 15 15 THR HG21 H 1 1.0710 0.00021 . 1 . . . . 12 THR HG21 . 25709 1 34 . 1 1 15 15 THR HG22 H 1 1.0710 0.00021 . 1 . . . . 12 THR HG21 . 25709 1 35 . 1 1 15 15 THR HG23 H 1 1.0710 0.00021 . 1 . . . . 12 THR HG21 . 25709 1 36 . 1 1 15 15 THR CG2 C 13 21.8344 0.02000 . 1 . . . . 12 THR CG2 . 25709 1 37 . 1 1 16 16 ILE HG21 H 1 0.8729 0.00021 . 1 . . . . 13 ILE HG21 . 25709 1 38 . 1 1 16 16 ILE HG22 H 1 0.8729 0.00021 . 1 . . . . 13 ILE HG21 . 25709 1 39 . 1 1 16 16 ILE HG23 H 1 0.8729 0.00021 . 1 . . . . 13 ILE HG21 . 25709 1 40 . 1 1 16 16 ILE HD11 H 1 0.7480 0.00021 . 1 . . . . 13 ILE HD11 . 25709 1 41 . 1 1 16 16 ILE HD12 H 1 0.7480 0.00021 . 1 . . . . 13 ILE HD11 . 25709 1 42 . 1 1 16 16 ILE HD13 H 1 0.7480 0.00021 . 1 . . . . 13 ILE HD11 . 25709 1 43 . 1 1 16 16 ILE CG2 C 13 17.7744 0.02000 . 1 . . . . 13 ILE CG2 . 25709 1 44 . 1 1 16 16 ILE CD1 C 13 13.6928 0.02000 . 1 . . . . 13 ILE CD1 . 25709 1 45 . 1 1 17 17 THR HG21 H 1 1.1041 0.00021 . 1 . . . . 14 THR HG21 . 25709 1 46 . 1 1 17 17 THR HG22 H 1 1.1041 0.00021 . 1 . . . . 14 THR HG21 . 25709 1 47 . 1 1 17 17 THR HG23 H 1 1.1041 0.00021 . 1 . . . . 14 THR HG21 . 25709 1 48 . 1 1 17 17 THR CG2 C 13 21.7296 0.02000 . 1 . . . . 14 THR CG2 . 25709 1 49 . 1 1 18 18 LEU HD11 H 1 0.7203 0.00021 . 2 . . . . 15 LEU HD11 . 25709 1 50 . 1 1 18 18 LEU HD12 H 1 0.7203 0.00021 . 2 . . . . 15 LEU HD11 . 25709 1 51 . 1 1 18 18 LEU HD13 H 1 0.7203 0.00021 . 2 . . . . 15 LEU HD11 . 25709 1 52 . 1 1 18 18 LEU HD21 H 1 0.7531 0.00021 . 2 . . . . 15 LEU HD21 . 25709 1 53 . 1 1 18 18 LEU HD22 H 1 0.7531 0.00021 . 2 . . . . 15 LEU HD21 . 25709 1 54 . 1 1 18 18 LEU HD23 H 1 0.7531 0.00021 . 2 . . . . 15 LEU HD21 . 25709 1 55 . 1 1 18 18 LEU CD1 C 13 27.2796 0.02000 . 2 . . . . 15 LEU CD1 . 25709 1 56 . 1 1 18 18 LEU CD2 C 13 24.2504 0.02000 . 2 . . . . 15 LEU CD2 . 25709 1 57 . 1 1 20 20 VAL HG11 H 1 0.6947 0.00021 . 2 . . . . 17 VAL HG11 . 25709 1 58 . 1 1 20 20 VAL HG12 H 1 0.6947 0.00021 . 2 . . . . 17 VAL HG11 . 25709 1 59 . 1 1 20 20 VAL HG13 H 1 0.6947 0.00021 . 2 . . . . 17 VAL HG11 . 25709 1 60 . 1 1 20 20 VAL HG21 H 1 0.4605 0.00021 . 2 . . . . 17 VAL HG21 . 25709 1 61 . 1 1 20 20 VAL HG22 H 1 0.4605 0.00021 . 2 . . . . 17 VAL HG21 . 25709 1 62 . 1 1 20 20 VAL HG23 H 1 0.4605 0.00021 . 2 . . . . 17 VAL HG21 . 25709 1 63 . 1 1 20 20 VAL CG1 C 13 22.4055 0.02000 . 2 . . . . 17 VAL CG1 . 25709 1 64 . 1 1 20 20 VAL CG2 C 13 19.3327 0.02000 . 2 . . . . 17 VAL CG2 . 25709 1 65 . 1 1 25 25 THR HG21 H 1 1.2672 0.00021 . 1 . . . . 22 THR HG21 . 25709 1 66 . 1 1 25 25 THR HG22 H 1 1.2672 0.00021 . 1 . . . . 22 THR HG21 . 25709 1 67 . 1 1 25 25 THR HG23 H 1 1.2672 0.00021 . 1 . . . . 22 THR HG21 . 25709 1 68 . 1 1 25 25 THR CG2 C 13 22.2896 0.02000 . 1 . . . . 22 THR CG2 . 25709 1 69 . 1 1 26 26 ILE HG21 H 1 0.7967 0.00021 . 1 . . . . 23 ILE HG21 . 25709 1 70 . 1 1 26 26 ILE HG22 H 1 0.7967 0.00021 . 1 . . . . 23 ILE HG21 . 25709 1 71 . 1 1 26 26 ILE HG23 H 1 0.7967 0.00021 . 1 . . . . 23 ILE HG21 . 25709 1 72 . 1 1 26 26 ILE HD11 H 1 0.5894 0.00021 . 1 . . . . 23 ILE HD11 . 25709 1 73 . 1 1 26 26 ILE HD12 H 1 0.5894 0.00021 . 1 . . . . 23 ILE HD11 . 25709 1 74 . 1 1 26 26 ILE HD13 H 1 0.5894 0.00021 . 1 . . . . 23 ILE HD11 . 25709 1 75 . 1 1 26 26 ILE CG2 C 13 18.0717 0.02000 . 1 . . . . 23 ILE CG2 . 25709 1 76 . 1 1 26 26 ILE CD1 C 13 9.4049 0.02000 . 1 . . . . 23 ILE CD1 . 25709 1 77 . 1 1 29 29 VAL HG11 H 1 0.8953 0.00021 . 2 . . . . 26 VAL HG11 . 25709 1 78 . 1 1 29 29 VAL HG12 H 1 0.8953 0.00021 . 2 . . . . 26 VAL HG11 . 25709 1 79 . 1 1 29 29 VAL HG13 H 1 0.8953 0.00021 . 2 . . . . 26 VAL HG11 . 25709 1 80 . 1 1 29 29 VAL HG21 H 1 0.7100 0.00021 . 2 . . . . 26 VAL HG21 . 25709 1 81 . 1 1 29 29 VAL HG22 H 1 0.7100 0.00021 . 2 . . . . 26 VAL HG21 . 25709 1 82 . 1 1 29 29 VAL HG23 H 1 0.7100 0.00021 . 2 . . . . 26 VAL HG21 . 25709 1 83 . 1 1 29 29 VAL CG1 C 13 23.1792 0.02000 . 2 . . . . 26 VAL CG1 . 25709 1 84 . 1 1 29 29 VAL CG2 C 13 21.5756 0.02000 . 2 . . . . 26 VAL CG2 . 25709 1 85 . 1 1 33 33 ILE HG21 H 1 0.6867 0.00021 . 1 . . . . 30 ILE HG21 . 25709 1 86 . 1 1 33 33 ILE HG22 H 1 0.6867 0.00021 . 1 . . . . 30 ILE HG21 . 25709 1 87 . 1 1 33 33 ILE HG23 H 1 0.6867 0.00021 . 1 . . . . 30 ILE HG21 . 25709 1 88 . 1 1 33 33 ILE HD11 H 1 0.9089 0.00021 . 1 . . . . 30 ILE HD11 . 25709 1 89 . 1 1 33 33 ILE HD12 H 1 0.9089 0.00021 . 1 . . . . 30 ILE HD11 . 25709 1 90 . 1 1 33 33 ILE HD13 H 1 0.9089 0.00021 . 1 . . . . 30 ILE HD11 . 25709 1 91 . 1 1 33 33 ILE CG2 C 13 17.0055 0.02000 . 1 . . . . 30 ILE CG2 . 25709 1 92 . 1 1 33 33 ILE CD1 C 13 15.2108 0.02000 . 1 . . . . 30 ILE CD1 . 25709 1 93 . 1 1 39 39 ILE HG21 H 1 0.9033 0.00021 . 1 . . . . 36 ILE HG21 . 25709 1 94 . 1 1 39 39 ILE HG22 H 1 0.9033 0.00021 . 1 . . . . 36 ILE HG21 . 25709 1 95 . 1 1 39 39 ILE HG23 H 1 0.9033 0.00021 . 1 . . . . 36 ILE HG21 . 25709 1 96 . 1 1 39 39 ILE HD11 H 1 0.7045 0.00021 . 1 . . . . 36 ILE HD11 . 25709 1 97 . 1 1 39 39 ILE HD12 H 1 0.7045 0.00021 . 1 . . . . 36 ILE HD11 . 25709 1 98 . 1 1 39 39 ILE HD13 H 1 0.7045 0.00021 . 1 . . . . 36 ILE HD11 . 25709 1 99 . 1 1 39 39 ILE CG2 C 13 17.7310 0.02000 . 1 . . . . 36 ILE CG2 . 25709 1 100 . 1 1 39 39 ILE CD1 C 13 14.5363 0.02000 . 1 . . . . 36 ILE CD1 . 25709 1 101 . 1 1 46 46 LEU HD21 H 1 0.8053 0.00021 . 2 . . . . 43 LEU HD21 . 25709 1 102 . 1 1 46 46 LEU HD22 H 1 0.8053 0.00021 . 2 . . . . 43 LEU HD21 . 25709 1 103 . 1 1 46 46 LEU HD23 H 1 0.8053 0.00021 . 2 . . . . 43 LEU HD21 . 25709 1 104 . 1 1 46 46 LEU CD2 C 13 24.2743 0.02000 . 2 . . . . 43 LEU CD2 . 25709 1 105 . 1 1 47 47 ILE HG21 H 1 0.6691 0.00021 . 1 . . . . 44 ILE HG21 . 25709 1 106 . 1 1 47 47 ILE HG22 H 1 0.6691 0.00021 . 1 . . . . 44 ILE HG21 . 25709 1 107 . 1 1 47 47 ILE HG23 H 1 0.6691 0.00021 . 1 . . . . 44 ILE HG21 . 25709 1 108 . 1 1 47 47 ILE CG2 C 13 17.5201 0.02000 . 1 . . . . 44 ILE CG2 . 25709 1 109 . 1 1 53 53 LEU HD11 H 1 0.5384 0.00021 . 2 . . . . 50 LEU HD11 . 25709 1 110 . 1 1 53 53 LEU HD12 H 1 0.5384 0.00021 . 2 . . . . 50 LEU HD11 . 25709 1 111 . 1 1 53 53 LEU HD13 H 1 0.5384 0.00021 . 2 . . . . 50 LEU HD11 . 25709 1 112 . 1 1 53 53 LEU HD21 H 1 -0.1592 0.00021 . 2 . . . . 50 LEU HD21 . 25709 1 113 . 1 1 53 53 LEU HD22 H 1 -0.1592 0.00021 . 2 . . . . 50 LEU HD21 . 25709 1 114 . 1 1 53 53 LEU HD23 H 1 -0.1592 0.00021 . 2 . . . . 50 LEU HD21 . 25709 1 115 . 1 1 53 53 LEU CD1 C 13 26.0813 0.02000 . 2 . . . . 50 LEU CD1 . 25709 1 116 . 1 1 53 53 LEU CD2 C 13 19.5435 0.02000 . 2 . . . . 50 LEU CD2 . 25709 1 117 . 1 1 58 58 THR HG21 H 1 1.1481 0.00021 . 1 . . . . 55 THR HG21 . 25709 1 118 . 1 1 58 58 THR HG22 H 1 1.1481 0.00021 . 1 . . . . 55 THR HG21 . 25709 1 119 . 1 1 58 58 THR HG23 H 1 1.1481 0.00021 . 1 . . . . 55 THR HG21 . 25709 1 120 . 1 1 58 58 THR CG2 C 13 22.3698 0.02000 . 1 . . . . 55 THR CG2 . 25709 1 121 . 1 1 59 59 LEU HD11 H 1 0.7805 0.00021 . 2 . . . . 56 LEU HD11 . 25709 1 122 . 1 1 59 59 LEU HD12 H 1 0.7805 0.00021 . 2 . . . . 56 LEU HD11 . 25709 1 123 . 1 1 59 59 LEU HD13 H 1 0.7805 0.00021 . 2 . . . . 56 LEU HD11 . 25709 1 124 . 1 1 59 59 LEU HD21 H 1 0.6451 0.00021 . 2 . . . . 56 LEU HD21 . 25709 1 125 . 1 1 59 59 LEU HD22 H 1 0.6451 0.00021 . 2 . . . . 56 LEU HD21 . 25709 1 126 . 1 1 59 59 LEU HD23 H 1 0.6451 0.00021 . 2 . . . . 56 LEU HD21 . 25709 1 127 . 1 1 59 59 LEU CD1 C 13 26.5896 0.02000 . 2 . . . . 56 LEU CD1 . 25709 1 128 . 1 1 59 59 LEU CD2 C 13 23.2076 0.02000 . 2 . . . . 56 LEU CD2 . 25709 1 129 . 1 1 64 64 ILE HD11 H 1 0.3547 0.00021 . 1 . . . . 61 ILE HD11 . 25709 1 130 . 1 1 64 64 ILE HD12 H 1 0.3547 0.00021 . 1 . . . . 61 ILE HD11 . 25709 1 131 . 1 1 64 64 ILE HD13 H 1 0.3547 0.00021 . 1 . . . . 61 ILE HD11 . 25709 1 132 . 1 1 64 64 ILE CD1 C 13 13.8730 0.02000 . 1 . . . . 61 ILE CD1 . 25709 1 133 . 1 1 69 69 THR HG21 H 1 0.8612 0.00021 . 1 . . . . 66 THR HG21 . 25709 1 134 . 1 1 69 69 THR HG22 H 1 0.8612 0.00021 . 1 . . . . 66 THR HG21 . 25709 1 135 . 1 1 69 69 THR HG23 H 1 0.8612 0.00021 . 1 . . . . 66 THR HG21 . 25709 1 136 . 1 1 69 69 THR CG2 C 13 21.6518 0.02000 . 1 . . . . 66 THR CG2 . 25709 1 137 . 1 1 70 70 LEU HD11 H 1 0.6711 0.00021 . 2 . . . . 67 LEU HD11 . 25709 1 138 . 1 1 70 70 LEU HD12 H 1 0.6711 0.00021 . 2 . . . . 67 LEU HD11 . 25709 1 139 . 1 1 70 70 LEU HD13 H 1 0.6711 0.00021 . 2 . . . . 67 LEU HD11 . 25709 1 140 . 1 1 70 70 LEU HD21 H 1 0.7214 0.00021 . 2 . . . . 67 LEU HD21 . 25709 1 141 . 1 1 70 70 LEU HD22 H 1 0.7214 0.00021 . 2 . . . . 67 LEU HD21 . 25709 1 142 . 1 1 70 70 LEU HD23 H 1 0.7214 0.00021 . 2 . . . . 67 LEU HD21 . 25709 1 143 . 1 1 70 70 LEU CD1 C 13 24.8610 0.02000 . 2 . . . . 67 LEU CD1 . 25709 1 144 . 1 1 70 70 LEU CD2 C 13 24.9651 0.02000 . 2 . . . . 67 LEU CD2 . 25709 1 145 . 1 1 72 72 LEU HD21 H 1 0.8601 0.00021 . 2 . . . . 69 LEU HD21 . 25709 1 146 . 1 1 72 72 LEU HD22 H 1 0.8601 0.00021 . 2 . . . . 69 LEU HD21 . 25709 1 147 . 1 1 72 72 LEU HD23 H 1 0.8601 0.00021 . 2 . . . . 69 LEU HD21 . 25709 1 148 . 1 1 72 72 LEU CD2 C 13 23.7854 0.02000 . 2 . . . . 69 LEU CD2 . 25709 1 149 . 1 1 76 76 LEU HD11 H 1 0.9524 0.00021 . 2 . . . . 73 LEU HD11 . 25709 1 150 . 1 1 76 76 LEU HD12 H 1 0.9524 0.00021 . 2 . . . . 73 LEU HD11 . 25709 1 151 . 1 1 76 76 LEU HD13 H 1 0.9524 0.00021 . 2 . . . . 73 LEU HD11 . 25709 1 152 . 1 1 76 76 LEU CD1 C 13 26.5084 0.02000 . 2 . . . . 73 LEU CD1 . 25709 1 stop_ save_