################################### # 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 19414 _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-15N HSQC' . . . 19414 1 2 '2D 1H-13C HSQC aliphatic' . . . 19414 1 3 '2D 1H-13C HSQC aromatic' . . . 19414 1 4 '3D CBCA(CO)NH' . . . 19414 1 5 '3D HNCACB' . . . 19414 1 6 '3D HBHA(CO)NH' . . . 19414 1 7 '3D 1H-15N NOESY' . . . 19414 1 8 '3D 1H-13C NOESY aliphatic' . . . 19414 1 9 '3D 1H-13C NOESY aromatic' . . . 19414 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 6 6 ALA HB1 H 1 1.336 0.020 . 1 . . . A 8 ALA HB1 . 19414 1 2 . 1 1 6 6 ALA HB2 H 1 1.336 0.020 . 1 . . . A 8 ALA HB2 . 19414 1 3 . 1 1 6 6 ALA HB3 H 1 1.336 0.020 . 1 . . . A 8 ALA HB3 . 19414 1 4 . 1 1 6 6 ALA CB C 13 17.128 0.200 . 1 . . . A 8 ALA CB . 19414 1 5 . 1 1 28 28 VAL HG11 H 1 0.724 0.020 . 1 . . . A 30 VAL HG11 . 19414 1 6 . 1 1 28 28 VAL HG12 H 1 0.724 0.020 . 1 . . . A 30 VAL HG12 . 19414 1 7 . 1 1 28 28 VAL HG13 H 1 0.724 0.020 . 1 . . . A 30 VAL HG13 . 19414 1 8 . 1 1 28 28 VAL HG21 H 1 0.827 0.020 . 1 . . . A 30 VAL HG21 . 19414 1 9 . 1 1 28 28 VAL HG22 H 1 0.827 0.020 . 1 . . . A 30 VAL HG22 . 19414 1 10 . 1 1 28 28 VAL HG23 H 1 0.827 0.020 . 1 . . . A 30 VAL HG23 . 19414 1 11 . 1 1 28 28 VAL CG1 C 13 21.570 0.200 . 1 . . . A 30 VAL CG1 . 19414 1 12 . 1 1 28 28 VAL CG2 C 13 20.853 0.200 . 1 . . . A 30 VAL CG2 . 19414 1 13 . 1 1 30 30 LEU HD11 H 1 0.823 0.020 . 1 . . . A 32 LEU HD11 . 19414 1 14 . 1 1 30 30 LEU HD12 H 1 0.823 0.020 . 1 . . . A 32 LEU HD12 . 19414 1 15 . 1 1 30 30 LEU HD13 H 1 0.823 0.020 . 1 . . . A 32 LEU HD13 . 19414 1 16 . 1 1 30 30 LEU HD21 H 1 0.889 0.020 . 1 . . . A 32 LEU HD21 . 19414 1 17 . 1 1 30 30 LEU HD22 H 1 0.889 0.020 . 1 . . . A 32 LEU HD22 . 19414 1 18 . 1 1 30 30 LEU HD23 H 1 0.889 0.020 . 1 . . . A 32 LEU HD23 . 19414 1 19 . 1 1 30 30 LEU CD1 C 13 27.040 0.200 . 1 . . . A 32 LEU CD1 . 19414 1 20 . 1 1 30 30 LEU CD2 C 13 26.686 0.200 . 1 . . . A 32 LEU CD2 . 19414 1 21 . 1 1 45 45 ILE HG21 H 1 0.543 0.020 . 1 . . . A 47 ILE HG21 . 19414 1 22 . 1 1 45 45 ILE HG22 H 1 0.543 0.020 . 1 . . . A 47 ILE HG22 . 19414 1 23 . 1 1 45 45 ILE HG23 H 1 0.543 0.020 . 1 . . . A 47 ILE HG23 . 19414 1 24 . 1 1 45 45 ILE CG2 C 13 16.353 0.200 . 1 . . . A 47 ILE CG2 . 19414 1 25 . 1 1 46 46 VAL HG11 H 1 0.442 0.020 . 1 . . . A 48 VAL HG11 . 19414 1 26 . 1 1 46 46 VAL HG12 H 1 0.442 0.020 . 1 . . . A 48 VAL HG12 . 19414 1 27 . 1 1 46 46 VAL HG13 H 1 0.442 0.020 . 1 . . . A 48 VAL HG13 . 19414 1 28 . 1 1 46 46 VAL HG21 H 1 0.792 0.020 . 1 . . . A 48 VAL HG21 . 19414 1 29 . 1 1 46 46 VAL HG22 H 1 0.792 0.020 . 1 . . . A 48 VAL HG22 . 19414 1 30 . 1 1 46 46 VAL HG23 H 1 0.792 0.020 . 1 . . . A 48 VAL HG23 . 19414 1 31 . 1 1 46 46 VAL CG1 C 13 20.041 0.200 . 1 . . . A 48 VAL CG1 . 19414 1 32 . 1 1 46 46 VAL CG2 C 13 23.787 0.200 . 1 . . . A 48 VAL CG2 . 19414 1 33 . 1 1 52 52 LEU HD11 H 1 0.291 0.020 . 1 . . . A 54 LEU HD11 . 19414 1 34 . 1 1 52 52 LEU HD12 H 1 0.291 0.020 . 1 . . . A 54 LEU HD12 . 19414 1 35 . 1 1 52 52 LEU HD13 H 1 0.291 0.020 . 1 . . . A 54 LEU HD13 . 19414 1 36 . 1 1 52 52 LEU CD1 C 13 24.805 0.200 . 1 . . . A 54 LEU CD1 . 19414 1 37 . 1 1 59 59 VAL HG11 H 1 0.815 0.020 . 1 . . . A 61 VAL HG11 . 19414 1 38 . 1 1 59 59 VAL HG12 H 1 0.815 0.020 . 1 . . . A 61 VAL HG12 . 19414 1 39 . 1 1 59 59 VAL HG13 H 1 0.815 0.020 . 1 . . . A 61 VAL HG13 . 19414 1 40 . 1 1 59 59 VAL HG21 H 1 0.749 0.020 . 1 . . . A 61 VAL HG21 . 19414 1 41 . 1 1 59 59 VAL HG22 H 1 0.749 0.020 . 1 . . . A 61 VAL HG22 . 19414 1 42 . 1 1 59 59 VAL HG23 H 1 0.749 0.020 . 1 . . . A 61 VAL HG23 . 19414 1 43 . 1 1 59 59 VAL CG1 C 13 20.748 0.200 . 1 . . . A 61 VAL CG1 . 19414 1 44 . 1 1 59 59 VAL CG2 C 13 20.896 0.200 . 1 . . . A 61 VAL CG2 . 19414 1 45 . 1 1 61 61 LEU HD11 H 1 0.896 0.020 . 1 . . . A 63 LEU HD11 . 19414 1 46 . 1 1 61 61 LEU HD12 H 1 0.896 0.020 . 1 . . . A 63 LEU HD12 . 19414 1 47 . 1 1 61 61 LEU HD13 H 1 0.896 0.020 . 1 . . . A 63 LEU HD13 . 19414 1 48 . 1 1 61 61 LEU HD21 H 1 0.548 0.020 . 1 . . . A 63 LEU HD21 . 19414 1 49 . 1 1 61 61 LEU HD22 H 1 0.548 0.020 . 1 . . . A 63 LEU HD22 . 19414 1 50 . 1 1 61 61 LEU HD23 H 1 0.548 0.020 . 1 . . . A 63 LEU HD23 . 19414 1 51 . 1 1 61 61 LEU CD1 C 13 26.099 0.200 . 1 . . . A 63 LEU CD1 . 19414 1 52 . 1 1 61 61 LEU CD2 C 13 23.001 0.200 . 1 . . . A 63 LEU CD2 . 19414 1 53 . 1 1 63 63 ALA HB1 H 1 0.536 0.020 . 1 . . . A 65 ALA HB1 . 19414 1 54 . 1 1 63 63 ALA HB2 H 1 0.536 0.020 . 1 . . . A 65 ALA HB2 . 19414 1 55 . 1 1 63 63 ALA HB3 H 1 0.536 0.020 . 1 . . . A 65 ALA HB3 . 19414 1 56 . 1 1 63 63 ALA CB C 13 18.816 0.200 . 1 . . . A 65 ALA CB . 19414 1 57 . 1 1 64 64 LEU HD11 H 1 1.085 0.020 . 1 . . . A 66 LEU HD11 . 19414 1 58 . 1 1 64 64 LEU HD12 H 1 1.085 0.020 . 1 . . . A 66 LEU HD12 . 19414 1 59 . 1 1 64 64 LEU HD13 H 1 1.085 0.020 . 1 . . . A 66 LEU HD13 . 19414 1 60 . 1 1 64 64 LEU HD21 H 1 0.833 0.020 . 1 . . . A 66 LEU HD21 . 19414 1 61 . 1 1 64 64 LEU HD22 H 1 0.833 0.020 . 1 . . . A 66 LEU HD22 . 19414 1 62 . 1 1 64 64 LEU HD23 H 1 0.833 0.020 . 1 . . . A 66 LEU HD23 . 19414 1 63 . 1 1 64 64 LEU CD1 C 13 28.837 0.200 . 1 . . . A 66 LEU CD1 . 19414 1 64 . 1 1 64 64 LEU CD2 C 13 24.845 0.200 . 1 . . . A 66 LEU CD2 . 19414 1 65 . 1 1 75 75 MET HE1 H 1 1.945 0.020 . 1 . . . A 77 MET HE1 . 19414 1 66 . 1 1 75 75 MET HE2 H 1 1.945 0.020 . 1 . . . A 77 MET HE2 . 19414 1 67 . 1 1 75 75 MET HE3 H 1 1.945 0.020 . 1 . . . A 77 MET HE3 . 19414 1 68 . 1 1 75 75 MET CE C 13 16.702 0.200 . 1 . . . A 77 MET CE . 19414 1 69 . 1 1 77 77 LEU HD11 H 1 0.979 0.020 . 1 . . . A 79 LEU HD11 . 19414 1 70 . 1 1 77 77 LEU HD12 H 1 0.979 0.020 . 1 . . . A 79 LEU HD12 . 19414 1 71 . 1 1 77 77 LEU HD13 H 1 0.979 0.020 . 1 . . . A 79 LEU HD13 . 19414 1 72 . 1 1 77 77 LEU HD21 H 1 1.242 0.020 . 1 . . . A 79 LEU HD21 . 19414 1 73 . 1 1 77 77 LEU HD22 H 1 1.242 0.020 . 1 . . . A 79 LEU HD22 . 19414 1 74 . 1 1 77 77 LEU HD23 H 1 1.242 0.020 . 1 . . . A 79 LEU HD23 . 19414 1 75 . 1 1 77 77 LEU CD1 C 13 26.178 0.200 . 1 . . . A 79 LEU CD1 . 19414 1 76 . 1 1 77 77 LEU CD2 C 13 22.369 0.200 . 1 . . . A 79 LEU CD2 . 19414 1 77 . 1 1 84 84 VAL HG21 H 1 0.575 0.020 . 1 . . . A 86 VAL HG21 . 19414 1 78 . 1 1 84 84 VAL HG22 H 1 0.575 0.020 . 1 . . . A 86 VAL HG22 . 19414 1 79 . 1 1 84 84 VAL HG23 H 1 0.575 0.020 . 1 . . . A 86 VAL HG23 . 19414 1 80 . 1 1 84 84 VAL CG2 C 13 18.745 0.200 . 1 . . . A 86 VAL CG2 . 19414 1 81 . 1 1 96 96 ILE HG21 H 1 -0.034 0.020 . 1 . . . A 98 ILE HG21 . 19414 1 82 . 1 1 96 96 ILE HG22 H 1 -0.034 0.020 . 1 . . . A 98 ILE HG22 . 19414 1 83 . 1 1 96 96 ILE HG23 H 1 -0.034 0.020 . 1 . . . A 98 ILE HG23 . 19414 1 84 . 1 1 96 96 ILE CG2 C 13 15.500 0.200 . 1 . . . A 98 ILE CG2 . 19414 1 85 . 1 1 103 103 LEU HD11 H 1 0.187 0.020 . 1 . . . A 105 LEU HD11 . 19414 1 86 . 1 1 103 103 LEU HD12 H 1 0.187 0.020 . 1 . . . A 105 LEU HD12 . 19414 1 87 . 1 1 103 103 LEU HD13 H 1 0.187 0.020 . 1 . . . A 105 LEU HD13 . 19414 1 88 . 1 1 103 103 LEU HD21 H 1 0.347 0.020 . 1 . . . A 105 LEU HD21 . 19414 1 89 . 1 1 103 103 LEU HD22 H 1 0.347 0.020 . 1 . . . A 105 LEU HD22 . 19414 1 90 . 1 1 103 103 LEU HD23 H 1 0.347 0.020 . 1 . . . A 105 LEU HD23 . 19414 1 91 . 1 1 103 103 LEU CD1 C 13 26.198 0.200 . 1 . . . A 105 LEU CD1 . 19414 1 92 . 1 1 103 103 LEU CD2 C 13 22.518 0.200 . 1 . . . A 105 LEU CD2 . 19414 1 93 . 1 1 109 109 MET HE1 H 1 2.100 0.020 . 1 . . . A 111 MET HE1 . 19414 1 94 . 1 1 109 109 MET HE2 H 1 2.100 0.020 . 1 . . . A 111 MET HE2 . 19414 1 95 . 1 1 109 109 MET HE3 H 1 2.100 0.020 . 1 . . . A 111 MET HE3 . 19414 1 96 . 1 1 109 109 MET CE C 13 19.388 0.200 . 1 . . . A 111 MET CE . 19414 1 97 . 1 1 113 113 LEU HD11 H 1 0.020 0.020 . 1 . . . A 115 LEU HD11 . 19414 1 98 . 1 1 113 113 LEU HD12 H 1 0.020 0.020 . 1 . . . A 115 LEU HD12 . 19414 1 99 . 1 1 113 113 LEU HD13 H 1 0.020 0.020 . 1 . . . A 115 LEU HD13 . 19414 1 100 . 1 1 113 113 LEU CD1 C 13 26.472 0.200 . 1 . . . A 115 LEU CD1 . 19414 1 101 . 1 1 118 118 VAL HG11 H 1 0.762 0.020 . 1 . . . A 120 VAL HG11 . 19414 1 102 . 1 1 118 118 VAL HG12 H 1 0.762 0.020 . 1 . . . A 120 VAL HG12 . 19414 1 103 . 1 1 118 118 VAL HG13 H 1 0.762 0.020 . 1 . . . A 120 VAL HG13 . 19414 1 104 . 1 1 118 118 VAL HG21 H 1 0.716 0.020 . 1 . . . A 120 VAL HG21 . 19414 1 105 . 1 1 118 118 VAL HG22 H 1 0.716 0.020 . 1 . . . A 120 VAL HG22 . 19414 1 106 . 1 1 118 118 VAL HG23 H 1 0.716 0.020 . 1 . . . A 120 VAL HG23 . 19414 1 107 . 1 1 118 118 VAL CG1 C 13 20.994 0.200 . 1 . . . A 120 VAL CG1 . 19414 1 108 . 1 1 118 118 VAL CG2 C 13 21.688 0.200 . 1 . . . A 120 VAL CG2 . 19414 1 109 . 1 1 136 136 MET HE1 H 1 2.127 0.020 . 1 . . . A 138 MET HE1 . 19414 1 110 . 1 1 136 136 MET HE2 H 1 2.127 0.020 . 1 . . . A 138 MET HE2 . 19414 1 111 . 1 1 136 136 MET HE3 H 1 2.127 0.020 . 1 . . . A 138 MET HE3 . 19414 1 112 . 1 1 136 136 MET CE C 13 17.721 0.200 . 1 . . . A 138 MET CE . 19414 1 113 . 1 1 142 142 LEU HD11 H 1 0.426 0.020 . 1 . . . A 144 LEU HD11 . 19414 1 114 . 1 1 142 142 LEU HD12 H 1 0.426 0.020 . 1 . . . A 144 LEU HD12 . 19414 1 115 . 1 1 142 142 LEU HD13 H 1 0.426 0.020 . 1 . . . A 144 LEU HD13 . 19414 1 116 . 1 1 142 142 LEU HD21 H 1 0.404 0.020 . 1 . . . A 144 LEU HD21 . 19414 1 117 . 1 1 142 142 LEU HD22 H 1 0.404 0.020 . 1 . . . A 144 LEU HD22 . 19414 1 118 . 1 1 142 142 LEU HD23 H 1 0.404 0.020 . 1 . . . A 144 LEU HD23 . 19414 1 119 . 1 1 142 142 LEU CD1 C 13 26.109 0.200 . 1 . . . A 144 LEU CD1 . 19414 1 120 . 1 1 142 142 LEU CD2 C 13 21.813 0.200 . 1 . . . A 144 LEU CD2 . 19414 1 121 . 1 1 144 144 MET HE1 H 1 2.053 0.020 . 1 . . . A 146 MET HE1 . 19414 1 122 . 1 1 144 144 MET HE2 H 1 2.053 0.020 . 1 . . . A 146 MET HE2 . 19414 1 123 . 1 1 144 144 MET HE3 H 1 2.053 0.020 . 1 . . . A 146 MET HE3 . 19414 1 124 . 1 1 144 144 MET CE C 13 16.567 0.200 . 1 . . . A 146 MET CE . 19414 1 125 . 1 1 145 145 ALA HB1 H 1 1.329 0.020 . 1 . . . A 147 ALA HB1 . 19414 1 126 . 1 1 145 145 ALA HB2 H 1 1.329 0.020 . 1 . . . A 147 ALA HB2 . 19414 1 127 . 1 1 145 145 ALA HB3 H 1 1.329 0.020 . 1 . . . A 147 ALA HB3 . 19414 1 128 . 1 1 145 145 ALA CB C 13 17.951 0.200 . 1 . . . A 147 ALA CB . 19414 1 129 . 1 1 155 155 VAL HG11 H 1 0.407 0.020 . 1 . . . A 157 VAL HG11 . 19414 1 130 . 1 1 155 155 VAL HG12 H 1 0.407 0.020 . 1 . . . A 157 VAL HG12 . 19414 1 131 . 1 1 155 155 VAL HG13 H 1 0.407 0.020 . 1 . . . A 157 VAL HG13 . 19414 1 132 . 1 1 155 155 VAL HG21 H 1 0.131 0.020 . 1 . . . A 157 VAL HG21 . 19414 1 133 . 1 1 155 155 VAL HG22 H 1 0.131 0.020 . 1 . . . A 157 VAL HG22 . 19414 1 134 . 1 1 155 155 VAL HG23 H 1 0.131 0.020 . 1 . . . A 157 VAL HG23 . 19414 1 135 . 1 1 155 155 VAL CG1 C 13 20.031 0.200 . 1 . . . A 157 VAL CG1 . 19414 1 136 . 1 1 155 155 VAL CG2 C 13 19.400 0.200 . 1 . . . A 157 VAL CG2 . 19414 1 137 . 1 1 156 156 VAL HG11 H 1 1.047 0.020 . 1 . . . A 158 VAL HG11 . 19414 1 138 . 1 1 156 156 VAL HG12 H 1 1.047 0.020 . 1 . . . A 158 VAL HG12 . 19414 1 139 . 1 1 156 156 VAL HG13 H 1 1.047 0.020 . 1 . . . A 158 VAL HG13 . 19414 1 140 . 1 1 156 156 VAL HG21 H 1 1.393 0.020 . 1 . . . A 158 VAL HG21 . 19414 1 141 . 1 1 156 156 VAL HG22 H 1 1.393 0.020 . 1 . . . A 158 VAL HG22 . 19414 1 142 . 1 1 156 156 VAL HG23 H 1 1.393 0.020 . 1 . . . A 158 VAL HG23 . 19414 1 143 . 1 1 156 156 VAL CG1 C 13 20.335 0.200 . 1 . . . A 158 VAL CG1 . 19414 1 144 . 1 1 156 156 VAL CG2 C 13 22.458 0.200 . 1 . . . A 158 VAL CG2 . 19414 1 145 . 1 1 164 164 ILE HG21 H 1 0.462 0.020 . 1 . . . A 166 ILE HG21 . 19414 1 146 . 1 1 164 164 ILE HG22 H 1 0.462 0.020 . 1 . . . A 166 ILE HG22 . 19414 1 147 . 1 1 164 164 ILE HG23 H 1 0.462 0.020 . 1 . . . A 166 ILE HG23 . 19414 1 148 . 1 1 164 164 ILE CG2 C 13 16.545 0.200 . 1 . . . A 166 ILE CG2 . 19414 1 149 . 1 1 167 167 ALA HB1 H 1 1.494 0.020 . 1 . . . A 169 ALA HB1 . 19414 1 150 . 1 1 167 167 ALA HB2 H 1 1.494 0.020 . 1 . . . A 169 ALA HB2 . 19414 1 151 . 1 1 167 167 ALA HB3 H 1 1.494 0.020 . 1 . . . A 169 ALA HB3 . 19414 1 152 . 1 1 167 167 ALA CB C 13 20.092 0.200 . 1 . . . A 169 ALA CB . 19414 1 153 . 1 1 174 174 LEU HD11 H 1 0.348 0.020 . 1 . . . A 176 LEU HD11 . 19414 1 154 . 1 1 174 174 LEU HD12 H 1 0.348 0.020 . 1 . . . A 176 LEU HD12 . 19414 1 155 . 1 1 174 174 LEU HD13 H 1 0.348 0.020 . 1 . . . A 176 LEU HD13 . 19414 1 156 . 1 1 174 174 LEU HD21 H 1 -0.478 0.020 . 1 . . . A 176 LEU HD21 . 19414 1 157 . 1 1 174 174 LEU HD22 H 1 -0.478 0.020 . 1 . . . A 176 LEU HD22 . 19414 1 158 . 1 1 174 174 LEU HD23 H 1 -0.478 0.020 . 1 . . . A 176 LEU HD23 . 19414 1 159 . 1 1 174 174 LEU CD1 C 13 25.601 0.200 . 1 . . . A 176 LEU CD1 . 19414 1 160 . 1 1 174 174 LEU CD2 C 13 20.001 0.200 . 1 . . . A 176 LEU CD2 . 19414 1 161 . 1 1 176 176 LEU HD11 H 1 -0.294 0.020 . 1 . . . A 178 LEU HD11 . 19414 1 162 . 1 1 176 176 LEU HD12 H 1 -0.294 0.020 . 1 . . . A 178 LEU HD12 . 19414 1 163 . 1 1 176 176 LEU HD13 H 1 -0.294 0.020 . 1 . . . A 178 LEU HD13 . 19414 1 164 . 1 1 176 176 LEU CD1 C 13 20.856 0.200 . 1 . . . A 178 LEU CD1 . 19414 1 165 . 1 1 180 180 LEU HD11 H 1 -0.177 0.020 . 1 . . . A 182 LEU HD11 . 19414 1 166 . 1 1 180 180 LEU HD12 H 1 -0.177 0.020 . 1 . . . A 182 LEU HD12 . 19414 1 167 . 1 1 180 180 LEU HD13 H 1 -0.177 0.020 . 1 . . . A 182 LEU HD13 . 19414 1 168 . 1 1 180 180 LEU CD1 C 13 26.461 0.200 . 1 . . . A 182 LEU CD1 . 19414 1 169 . 2 2 1 1 1YO HAA H 1 2.371 0.020 . 1 . . . . 1 DRG HAA . 19414 1 170 . 2 2 1 1 1YO HAB H 1 2.371 0.020 . 1 . . . . 1 DRG HAB . 19414 1 171 . 2 2 1 1 1YO HAC H 1 2.371 0.020 . 1 . . . . 1 DRG HAC . 19414 1 172 . 2 2 1 1 1YO HAD H 1 7.192 0.020 . 4 . . . . 1 DRG HAD . 19414 1 173 . 2 2 1 1 1YO HAE H 1 7.138 0.020 . 4 . . . . 1 DRG HAE . 19414 1 174 . 2 2 1 1 1YO HAF H 1 7.028 0.020 . 1 . . . . 1 DRG HAF . 19414 1 175 . 2 2 1 1 1YO HAG H 1 7.192 0.020 . 4 . . . . 1 DRG HAG . 19414 1 176 . 2 2 1 1 1YO HAI H 1 4.284 0.020 . 2 . . . . 1 DRG HAI . 19414 1 177 . 2 2 1 1 1YO HAJ H 1 4.284 0.020 . 2 . . . . 1 DRG HAJ . 19414 1 stop_ save_