################################### # 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 16511 _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-1H TOCSY' . . . 16511 1 3 '2D DQF-COSY' . . . 16511 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 1 1 LYS H H 1 8.14 0.02 . 1 . . . . 122 LYS H . 16511 1 2 . 1 1 1 1 LYS HA H 1 4.46 0.02 . 1 . . . . 122 LYS HA . 16511 1 3 . 1 1 1 1 LYS HB2 H 1 1.70 0.02 . 1 . . . . 122 LYS HB2 . 16511 1 4 . 1 1 1 1 LYS HB3 H 1 1.70 0.02 . 1 . . . . 122 LYS HB3 . 16511 1 5 . 1 1 1 1 LYS HD2 H 1 1.60 0.02 . 1 . . . . 122 LYS HD2 . 16511 1 6 . 1 1 1 1 LYS HD3 H 1 1.60 0.02 . 1 . . . . 122 LYS HD3 . 16511 1 7 . 1 1 1 1 LYS HE2 H 1 2.91 0.02 . 1 . . . . 122 LYS HE2 . 16511 1 8 . 1 1 1 1 LYS HE3 H 1 2.91 0.02 . 1 . . . . 122 LYS HE3 . 16511 1 9 . 1 1 1 1 LYS HG2 H 1 1.37 0.02 . 1 . . . . 122 LYS HG2 . 16511 1 10 . 1 1 1 1 LYS HG3 H 1 1.37 0.02 . 1 . . . . 122 LYS HG3 . 16511 1 11 . 1 1 1 1 LYS HZ1 H 1 7.73 0.02 . 1 . . . . 122 LYS HZ1 . 16511 1 12 . 1 1 1 1 LYS HZ2 H 1 7.73 0.02 . 1 . . . . 122 LYS HZ2 . 16511 1 13 . 1 1 1 1 LYS HZ3 H 1 7.73 0.02 . 1 . . . . 122 LYS HZ2 . 16511 1 14 . 1 1 2 2 PRO HA H 1 4.30 0.02 . 1 . . . . 123 PRO HA . 16511 1 15 . 1 1 2 2 PRO HB2 H 1 2.19 0.02 . 2 . . . . 123 PRO HB2 . 16511 1 16 . 1 1 2 2 PRO HB3 H 1 1.80 0.02 . 2 . . . . 123 PRO HB3 . 16511 1 17 . 1 1 2 2 PRO HD2 H 1 3.75 0.02 . 2 . . . . 123 PRO HD2 . 16511 1 18 . 1 1 2 2 PRO HD3 H 1 3.53 0.02 . 2 . . . . 123 PRO HD3 . 16511 1 19 . 1 1 2 2 PRO HG2 H 1 1.93 0.02 . 1 . . . . 123 PRO HG2 . 16511 1 20 . 1 1 2 2 PRO HG3 H 1 1.93 0.02 . 1 . . . . 123 PRO HG3 . 16511 1 21 . 1 1 3 3 ASN H H 1 8.45 0.02 . 1 . . . . 124 ASN H . 16511 1 22 . 1 1 3 3 ASN HA H 1 4.58 0.02 . 1 . . . . 124 ASN HA . 16511 1 23 . 1 1 3 3 ASN HB2 H 1 2.72 0.02 . 1 . . . . 124 ASN HB2 . 16511 1 24 . 1 1 3 3 ASN HB3 H 1 2.72 0.02 . 1 . . . . 124 ASN HB3 . 16511 1 25 . 1 1 3 3 ASN HD21 H 1 7.52 0.02 . 2 . . . . 124 ASN HD2 . 16511 1 26 . 1 1 3 3 ASN HD22 H 1 7.52 0.02 . 2 . . . . 124 ASN HD2 . 16511 1 27 . 1 1 4 4 ASN H H 1 8.29 0.02 . 1 . . . . 125 ASN H . 16511 1 28 . 1 1 4 4 ASN HA H 1 4.56 0.02 . 1 . . . . 125 ASN HA . 16511 1 29 . 1 1 4 4 ASN HB2 H 1 2.71 0.02 . 1 . . . . 125 ASN HB2 . 16511 1 30 . 1 1 4 4 ASN HB3 H 1 2.71 0.02 . 1 . . . . 125 ASN HB3 . 16511 1 31 . 1 1 4 4 ASN HD21 H 1 7.50 0.02 . 2 . . . . 125 ASN HD2 . 16511 1 32 . 1 1 4 4 ASN HD22 H 1 7.50 0.02 . 2 . . . . 125 ASN HD2 . 16511 1 33 . 1 1 5 5 LYS H H 1 8.16 0.02 . 1 . . . . 126 LYS H . 16511 1 34 . 1 1 5 5 LYS HA H 1 4.14 0.02 . 1 . . . . 126 LYS HA . 16511 1 35 . 1 1 5 5 LYS HB2 H 1 1.68 0.02 . 1 . . . . 126 LYS HB2 . 16511 1 36 . 1 1 5 5 LYS HB3 H 1 1.68 0.02 . 1 . . . . 126 LYS HB3 . 16511 1 37 . 1 1 5 5 LYS HD2 H 1 1.61 0.02 . 1 . . . . 126 LYS HD2 . 16511 1 38 . 1 1 5 5 LYS HD3 H 1 1.61 0.02 . 1 . . . . 126 LYS HD3 . 16511 1 39 . 1 1 5 5 LYS HE2 H 1 2.89 0.02 . 1 . . . . 126 LYS HE2 . 16511 1 40 . 1 1 5 5 LYS HE3 H 1 2.89 0.02 . 1 . . . . 126 LYS HE3 . 16511 1 41 . 1 1 5 5 LYS HG2 H 1 1.31 0.02 . 1 . . . . 126 LYS HG2 . 16511 1 42 . 1 1 5 5 LYS HG3 H 1 1.31 0.02 . 1 . . . . 126 LYS HG3 . 16511 1 43 . 1 1 5 5 LYS HZ1 H 1 7.43 0.02 . 1 . . . . 126 LYS HZ1 . 16511 1 44 . 1 1 5 5 LYS HZ2 H 1 7.43 0.02 . 1 . . . . 126 LYS HZ2 . 16511 1 45 . 1 1 5 5 LYS HZ3 H 1 7.43 0.02 . 1 . . . . 126 LYS HZ2 . 16511 1 46 . 1 1 6 6 LEU H H 1 7.89 0.02 . 1 . . . . 127 LEU H . 16511 1 47 . 1 1 6 6 LEU HA H 1 4.16 0.02 . 1 . . . . 127 LEU HA . 16511 1 48 . 1 1 6 6 LEU HB2 H 1 1.49 0.02 . 2 . . . . 127 LEU HB2 . 16511 1 49 . 1 1 6 6 LEU HB3 H 1 1.37 0.02 . 1 . . . . 127 LEU HB3 . 16511 1 50 . 1 1 6 6 LEU HD11 H 1 0.80 0.02 . 2 . . . . 127 LEU HD1 . 16511 1 51 . 1 1 6 6 LEU HD12 H 1 0.80 0.02 . 2 . . . . 127 LEU HD1 . 16511 1 52 . 1 1 6 6 LEU HD13 H 1 0.80 0.02 . 2 . . . . 127 LEU HD1 . 16511 1 53 . 1 1 6 6 LEU HD21 H 1 0.74 0.02 . 2 . . . . 127 LEU HD2 . 16511 1 54 . 1 1 6 6 LEU HD22 H 1 0.74 0.02 . 2 . . . . 127 LEU HD2 . 16511 1 55 . 1 1 6 6 LEU HD23 H 1 0.74 0.02 . 2 . . . . 127 LEU HD2 . 16511 1 56 . 1 1 6 6 LEU HG H 1 1.37 0.02 . 1 . . . . 127 LEU HG . 16511 1 57 . 1 1 7 7 HIS H H 1 8.30 0.02 . 1 . . . . 128 HIS H . 16511 1 58 . 1 1 7 7 HIS HA H 1 4.55 0.02 . 1 . . . . 128 HIS HA . 16511 1 59 . 1 1 7 7 HIS HB2 H 1 3.15 0.02 . 2 . . . . 128 HIS HB2 . 16511 1 60 . 1 1 7 7 HIS HB3 H 1 3.06 0.02 . 2 . . . . 128 HIS HB3 . 16511 1 61 . 1 1 7 7 HIS HD2 H 1 7.13 0.02 . 1 . . . . 128 HIS HD2 . 16511 1 62 . 1 1 7 7 HIS HE1 H 1 8.41 0.02 . 1 . . . . 128 HIS HE1 . 16511 1 63 . 1 1 8 8 GLN H H 1 8.21 0.02 . 1 . . . . 129 GLN H . 16511 1 64 . 1 1 8 8 GLN HA H 1 4.22 0.02 . 1 . . . . 129 GLN HA . 16511 1 65 . 1 1 8 8 GLN HB2 H 1 1.96 0.02 . 2 . . . . 129 GLN HB2 . 16511 1 66 . 1 1 8 8 GLN HB3 H 1 1.85 0.02 . 2 . . . . 129 GLN HB3 . 16511 1 67 . 1 1 8 8 GLN HE21 H 1 7.39 0.02 . 2 . . . . 129 GLN HE21 . 16511 1 68 . 1 1 8 8 GLN HE22 H 1 6.76 0.02 . 2 . . . . 129 GLN HE22 . 16511 1 69 . 1 1 8 8 GLN HG2 H 1 2.22 0.02 . 1 . . . . 129 GLN HG2 . 16511 1 70 . 1 1 8 8 GLN HG3 H 1 2.22 0.02 . 1 . . . . 129 GLN HG3 . 16511 1 71 . 1 1 9 9 GLN H H 1 8.36 0.02 . 1 . . . . 130 GLN H . 16511 1 72 . 1 1 9 9 GLN HA H 1 4.21 0.02 . 1 . . . . 130 GLN HA . 16511 1 73 . 1 1 9 9 GLN HB2 H 1 1.93 0.02 . 2 . . . . 130 GLN HB2 . 16511 1 74 . 1 1 9 9 GLN HB3 H 1 1.89 0.02 . 2 . . . . 130 GLN HB3 . 16511 1 75 . 1 1 9 9 GLN HE21 H 1 7.40 0.02 . 2 . . . . 130 GLN HE21 . 16511 1 76 . 1 1 9 9 GLN HE22 H 1 6.76 0.02 . 2 . . . . 130 GLN HE22 . 16511 1 77 . 1 1 9 9 GLN HG2 H 1 2.23 0.02 . 1 . . . . 130 GLN HG2 . 16511 1 78 . 1 1 9 9 GLN HG3 H 1 2.23 0.02 . 1 . . . . 130 GLN HG3 . 16511 1 79 . 1 1 10 10 VAL H H 1 8.09 0.02 . 1 . . . . 131 VAL H . 16511 1 80 . 1 1 10 10 VAL HA H 1 3.91 0.02 . 1 . . . . 131 VAL HA . 16511 1 81 . 1 1 10 10 VAL HB H 1 1.84 0.02 . 1 . . . . 131 VAL HB . 16511 1 82 . 1 1 10 10 VAL HG11 H 1 0.78 0.02 . 2 . . . . 131 VAL HG1 . 16511 1 83 . 1 1 10 10 VAL HG12 H 1 0.78 0.02 . 2 . . . . 131 VAL HG1 . 16511 1 84 . 1 1 10 10 VAL HG13 H 1 0.78 0.02 . 2 . . . . 131 VAL HG1 . 16511 1 85 . 1 1 10 10 VAL HG21 H 1 0.67 0.02 . 2 . . . . 131 VAL HG2 . 16511 1 86 . 1 1 10 10 VAL HG22 H 1 0.67 0.02 . 2 . . . . 131 VAL HG2 . 16511 1 87 . 1 1 10 10 VAL HG23 H 1 0.67 0.02 . 2 . . . . 131 VAL HG2 . 16511 1 88 . 1 1 11 11 LEU H H 1 8.12 0.02 . 1 . . . . 132 LEU H . 16511 1 89 . 1 1 11 11 LEU HA H 1 4.19 0.02 . 1 . . . . 132 LEU HA . 16511 1 90 . 1 1 11 11 LEU HB2 H 1 1.50 0.02 . 1 . . . . 132 LEU HB2 . 16511 1 91 . 1 1 11 11 LEU HB3 H 1 1.50 0.02 . 1 . . . . 132 LEU HB3 . 16511 1 92 . 1 1 11 11 LEU HD11 H 1 0.78 0.02 . 1 . . . . 132 LEU HD1 . 16511 1 93 . 1 1 11 11 LEU HD12 H 1 0.78 0.02 . 1 . . . . 132 LEU HD1 . 16511 1 94 . 1 1 11 11 LEU HD13 H 1 0.78 0.02 . 1 . . . . 132 LEU HD1 . 16511 1 95 . 1 1 11 11 LEU HD21 H 1 0.78 0.02 . 1 . . . . 132 LEU HD2 . 16511 1 96 . 1 1 11 11 LEU HD22 H 1 0.78 0.02 . 1 . . . . 132 LEU HD2 . 16511 1 97 . 1 1 11 11 LEU HD23 H 1 0.78 0.02 . 1 . . . . 132 LEU HD2 . 16511 1 98 . 1 1 11 11 LEU HG H 1 1.50 0.02 . 1 . . . . 132 LEU HG . 16511 1 99 . 1 1 12 12 TRP H H 1 7.90 0.02 . 1 . . . . 133 TRP H . 16511 1 100 . 1 1 12 12 TRP HA H 1 4.50 0.02 . 1 . . . . 133 TRP HA . 16511 1 101 . 1 1 12 12 TRP HB2 H 1 3.16 0.02 . 1 . . . . 133 TRP HB2 . 16511 1 102 . 1 1 12 12 TRP HB3 H 1 3.16 0.02 . 1 . . . . 133 TRP HB3 . 16511 1 103 . 1 1 12 12 TRP HD1 H 1 7.15 0.02 . 1 . . . . 133 TRP HD1 . 16511 1 104 . 1 1 12 12 TRP HE1 H 1 10.02 0.02 . 1 . . . . 133 TRP HE1 . 16511 1 105 . 1 1 12 12 TRP HE3 H 1 7.47 0.02 . 1 . . . . 133 TRP HE3 . 16511 1 106 . 1 1 12 12 TRP HH2 H 1 7.13 0.02 . 1 . . . . 133 TRP HH2 . 16511 1 107 . 1 1 12 12 TRP HZ2 H 1 7.40 0.02 . 1 . . . . 133 TRP HZ2 . 16511 1 108 . 1 1 12 12 TRP HZ3 H 1 7.04 0.02 . 1 . . . . 133 TRP HZ3 . 16511 1 109 . 1 1 13 13 ARG H H 1 7.76 0.02 . 1 . . . . 134 ARG H . 16511 1 110 . 1 1 13 13 ARG HA H 1 4.01 0.02 . 1 . . . . 134 ARG HA . 16511 1 111 . 1 1 13 13 ARG HB2 H 1 1.60 0.02 . 2 . . . . 134 ARG HB2 . 16511 1 112 . 1 1 13 13 ARG HB3 H 1 1.48 0.02 . 2 . . . . 134 ARG HB3 . 16511 1 113 . 1 1 13 13 ARG HD2 H 1 3.00 0.02 . 1 . . . . 134 ARG HD2 . 16511 1 114 . 1 1 13 13 ARG HD3 H 1 3.00 0.02 . 1 . . . . 134 ARG HD3 . 16511 1 115 . 1 1 13 13 ARG HE H 1 7.04 0.02 . 1 . . . . 134 ARG HE . 16511 1 116 . 1 1 13 13 ARG HG2 H 1 1.28 0.02 . 1 . . . . 134 ARG HG2 . 16511 1 117 . 1 1 13 13 ARG HG3 H 1 1.28 0.02 . 1 . . . . 134 ARG HG3 . 16511 1 118 . 1 1 14 14 LEU H H 1 7.86 0.02 . 1 . . . . 135 LEU H . 16511 1 119 . 1 1 14 14 LEU HA H 1 4.14 0.02 . 1 . . . . 135 LEU HA . 16511 1 120 . 1 1 14 14 LEU HB2 H 1 1.57 0.02 . 1 . . . . 135 LEU HB2 . 16511 1 121 . 1 1 14 14 LEU HB3 H 1 1.57 0.02 . 1 . . . . 135 LEU HB3 . 16511 1 122 . 1 1 14 14 LEU HD11 H 1 0.79 0.02 . 1 . . . . 135 LEU HD1 . 16511 1 123 . 1 1 14 14 LEU HD12 H 1 0.79 0.02 . 1 . . . . 135 LEU HD1 . 16511 1 124 . 1 1 14 14 LEU HD13 H 1 0.79 0.02 . 1 . . . . 135 LEU HD1 . 16511 1 125 . 1 1 14 14 LEU HD21 H 1 0.79 0.02 . 1 . . . . 135 LEU HD2 . 16511 1 126 . 1 1 14 14 LEU HD22 H 1 0.79 0.02 . 1 . . . . 135 LEU HD2 . 16511 1 127 . 1 1 14 14 LEU HD23 H 1 0.79 0.02 . 1 . . . . 135 LEU HD2 . 16511 1 128 . 1 1 14 14 LEU HG H 1 1.57 0.02 . 1 . . . . 135 LEU HG . 16511 1 129 . 1 1 15 15 VAL H H 1 7.89 0.02 . 1 . . . . 136 VAL H . 16511 1 130 . 1 1 15 15 VAL HA H 1 3.98 0.02 . 1 . . . . 136 VAL HA . 16511 1 131 . 1 1 15 15 VAL HB H 1 1.96 0.02 . 1 . . . . 136 VAL HB . 16511 1 132 . 1 1 15 15 VAL HG21 H 1 0.82 0.02 . 1 . . . . 136 VAL HG2 . 16511 1 133 . 1 1 15 15 VAL HG22 H 1 0.82 0.02 . 1 . . . . 136 VAL HG2 . 16511 1 134 . 1 1 15 15 VAL HG23 H 1 0.82 0.02 . 1 . . . . 136 VAL HG2 . 16511 1 135 . 1 1 16 16 GLN H H 1 8.19 0.02 . 1 . . . . 137 GLN H . 16511 1 136 . 1 1 16 16 GLN HA H 1 4.22 0.02 . 1 . . . . 137 GLN HA . 16511 1 137 . 1 1 16 16 GLN HB2 H 1 1.96 0.02 . 2 . . . . 137 GLN HB2 . 16511 1 138 . 1 1 16 16 GLN HB3 H 1 1.85 0.02 . 2 . . . . 137 GLN HB3 . 16511 1 139 . 1 1 16 16 GLN HE21 H 1 7.35 0.02 . 2 . . . . 137 GLN HE21 . 16511 1 140 . 1 1 16 16 GLN HE22 H 1 6.73 0.02 . 2 . . . . 137 GLN HE22 . 16511 1 141 . 1 1 16 16 GLN HG2 H 1 2.22 0.02 . 1 . . . . 137 GLN HG2 . 16511 1 142 . 1 1 16 16 GLN HG3 H 1 2.22 0.02 . 1 . . . . 137 GLN HG3 . 16511 1 143 . 1 1 17 17 GLU H H 1 8.43 0.02 . 1 . . . . 138 GLU H . 16511 1 144 . 1 1 17 17 GLU HA H 1 4.27 0.02 . 1 . . . . 138 GLU HA . 16511 1 145 . 1 1 17 17 GLU HB2 H 1 2.12 0.02 . 2 . . . . 138 GLU HB2 . 16511 1 146 . 1 1 17 17 GLU HB3 H 1 1.92 0.02 . 2 . . . . 138 GLU HB3 . 16511 1 147 . 1 1 17 17 GLU HG2 H 1 2.33 0.02 . 1 . . . . 138 GLU HG2 . 16511 1 148 . 1 1 17 17 GLU HG3 H 1 2.33 0.02 . 1 . . . . 138 GLU HG3 . 16511 1 149 . 1 1 18 18 LEU H H 1 8.08 0.02 . 1 . . . . 139 LEU H . 16511 1 150 . 1 1 18 18 LEU HA H 1 4.22 0.02 . 1 . . . . 139 LEU HA . 16511 1 151 . 1 1 18 18 LEU HB2 H 1 1.47 0.02 . 2 . . . . 139 LEU HB2 . 16511 1 152 . 1 1 18 18 LEU HB3 H 1 1.39 0.02 . 1 . . . . 139 LEU HB3 . 16511 1 153 . 1 1 18 18 LEU HD11 H 1 0.78 0.02 . 2 . . . . 139 LEU HD1 . 16511 1 154 . 1 1 18 18 LEU HD12 H 1 0.78 0.02 . 2 . . . . 139 LEU HD1 . 16511 1 155 . 1 1 18 18 LEU HD13 H 1 0.78 0.02 . 2 . . . . 139 LEU HD1 . 16511 1 156 . 1 1 18 18 LEU HD21 H 1 0.72 0.02 . 2 . . . . 139 LEU HD2 . 16511 1 157 . 1 1 18 18 LEU HD22 H 1 0.72 0.02 . 2 . . . . 139 LEU HD2 . 16511 1 158 . 1 1 18 18 LEU HD23 H 1 0.72 0.02 . 2 . . . . 139 LEU HD2 . 16511 1 159 . 1 1 18 18 LEU HG H 1 1.39 0.02 . 1 . . . . 139 LEU HG . 16511 1 stop_ save_