################################### # 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 19154 _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 HSQC' . . . 19154 1 2 '2D 1H-1H TOCSY' . . . 19154 1 3 '2D 1H-1H COSY' . . . 19154 1 4 '2D 1H-1H NOESY' . . . 19154 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 GLY H H 1 8.4100 . . 1 . . . . 1 GLY H . 19154 1 2 . 1 1 1 1 GLY HA2 H 1 5.1000 . . 2 . . . . 1 GLY HA2 . 19154 1 3 . 1 1 1 1 GLY HA3 H 1 3.8000 . . 2 . . . . 1 GLY HA3 . 19154 1 4 . 1 1 1 1 GLY C C 13 171.6000 . . 1 . . . . 1 GLY C . 19154 1 5 . 1 1 1 1 GLY CA C 13 45.2000 . . 1 . . . . 1 GLY CA . 19154 1 6 . 1 1 2 2 PHE H H 1 11.0100 . . 1 . . . . 2 PHE H . 19154 1 7 . 1 1 2 2 PHE HA H 1 4.1500 . . 1 . . . . 2 PHE HA . 19154 1 8 . 1 1 2 2 PHE HB2 H 1 3.9200 . . 2 . . . . 2 PHE HB2 . 19154 1 9 . 1 1 2 2 PHE HB3 H 1 3.9200 . . 2 . . . . 2 PHE HB3 . 19154 1 10 . 1 1 2 2 PHE HD1 H 1 7.2300 . . 3 . . . . 2 PHE HD1 . 19154 1 11 . 1 1 2 2 PHE HD2 H 1 7.2300 . . 3 . . . . 2 PHE HD2 . 19154 1 12 . 1 1 2 2 PHE HE1 H 1 7.2500 . . 3 . . . . 2 PHE HE1 . 19154 1 13 . 1 1 2 2 PHE HE2 H 1 7.2500 . . 3 . . . . 2 PHE HE2 . 19154 1 14 . 1 1 2 2 PHE HZ H 1 7.1900 . . 1 . . . . 2 PHE HZ . 19154 1 15 . 1 1 2 2 PHE C C 13 171.5000 . . 1 . . . . 2 PHE C . 19154 1 16 . 1 1 2 2 PHE CA C 13 58.6000 . . 1 . . . . 2 PHE CA . 19154 1 17 . 1 1 2 2 PHE CB C 13 35.0000 . . 1 . . . . 2 PHE CB . 19154 1 18 . 1 1 2 2 PHE CG C 13 141.3000 . . 1 . . . . 2 PHE CG . 19154 1 19 . 1 1 2 2 PHE CD1 C 13 130.2000 . . 3 . . . . 2 PHE CD1 . 19154 1 20 . 1 1 2 2 PHE CD2 C 13 130.6000 . . 3 . . . . 2 PHE CD2 . 19154 1 21 . 1 1 2 2 PHE CE1 C 13 129.1000 . . 3 . . . . 2 PHE CE1 . 19154 1 22 . 1 1 2 2 PHE CE2 C 13 129.1000 . . 3 . . . . 2 PHE CE2 . 19154 1 23 . 1 1 2 2 PHE CZ C 13 126.9000 . . 1 . . . . 2 PHE CZ . 19154 1 24 . 1 1 3 3 GLY H H 1 8.3500 . . 1 . . . . 3 GLY H . 19154 1 25 . 1 1 3 3 GLY HA2 H 1 4.9600 . . 2 . . . . 3 GLY HA2 . 19154 1 26 . 1 1 3 3 GLY HA3 H 1 4.1900 . . 2 . . . . 3 GLY HA3 . 19154 1 27 . 1 1 3 3 GLY C C 13 169.5000 . . 1 . . . . 3 GLY C . 19154 1 28 . 1 1 3 3 GLY CA C 13 46.0000 . . 1 . . . . 3 GLY CA . 19154 1 29 . 1 1 4 4 SER H H 1 8.9700 . . 1 . . . . 4 SER H . 19154 1 30 . 1 1 4 4 SER HA H 1 5.3600 . . 1 . . . . 4 SER HA . 19154 1 31 . 1 1 4 4 SER HB2 H 1 4.4100 . . 2 . . . . 4 SER HB2 . 19154 1 32 . 1 1 4 4 SER HB3 H 1 4.3600 . . 2 . . . . 4 SER HB3 . 19154 1 33 . 1 1 4 4 SER C C 13 171.4000 . . 1 . . . . 4 SER C . 19154 1 34 . 1 1 4 4 SER CA C 13 57.4000 . . 1 . . . . 4 SER CA . 19154 1 35 . 1 1 4 4 SER CB C 13 64.5000 . . 1 . . . . 4 SER CB . 19154 1 36 . 1 1 5 5 LYS H H 1 9.7000 . . 1 . . . . 5 LYS H . 19154 1 37 . 1 1 5 5 LYS HA H 1 5.3700 . . 1 . . . . 5 LYS HA . 19154 1 38 . 1 1 5 5 LYS HB2 H 1 2.1000 . . 2 . . . . 5 LYS HB2 . 19154 1 39 . 1 1 5 5 LYS HB3 H 1 1.8700 . . 2 . . . . 5 LYS HB3 . 19154 1 40 . 1 1 5 5 LYS HG2 H 1 1.8200 . . 2 . . . . 5 LYS HG2 . 19154 1 41 . 1 1 5 5 LYS HG3 H 1 1.6200 . . 2 . . . . 5 LYS HG3 . 19154 1 42 . 1 1 5 5 LYS HD2 H 1 1.7400 . . 2 . . . . 5 LYS HD2 . 19154 1 43 . 1 1 5 5 LYS HD3 H 1 1.6200 . . 2 . . . . 5 LYS HD3 . 19154 1 44 . 1 1 5 5 LYS HE2 H 1 3.1400 . . 2 . . . . 5 LYS HE2 . 19154 1 45 . 1 1 5 5 LYS HE3 H 1 3.0600 . . 2 . . . . 5 LYS HE3 . 19154 1 46 . 1 1 5 5 LYS C C 13 173.2000 . . 1 . . . . 5 LYS C . 19154 1 47 . 1 1 5 5 LYS CA C 13 51.1000 . . 1 . . . . 5 LYS CA . 19154 1 48 . 1 1 5 5 LYS CB C 13 31.9000 . . 1 . . . . 5 LYS CB . 19154 1 49 . 1 1 5 5 LYS CG C 13 26.6000 . . 1 . . . . 5 LYS CG . 19154 1 50 . 1 1 5 5 LYS CD C 13 20.1000 . . 1 . . . . 5 LYS CD . 19154 1 51 . 1 1 5 5 LYS CE C 13 38.9000 . . 1 . . . . 5 LYS CE . 19154 1 52 . 1 1 6 6 PRO HA H 1 4.7600 . . 1 . . . . 6 PRO HA . 19154 1 53 . 1 1 6 6 PRO HB2 H 1 2.1600 . . 2 . . . . 6 PRO HB2 . 19154 1 54 . 1 1 6 6 PRO HB3 H 1 2.0900 . . 2 . . . . 6 PRO HB3 . 19154 1 55 . 1 1 6 6 PRO HG2 H 1 2.1000 . . 2 . . . . 6 PRO HG2 . 19154 1 56 . 1 1 6 6 PRO HG3 H 1 1.7800 . . 2 . . . . 6 PRO HG3 . 19154 1 57 . 1 1 6 6 PRO HD2 H 1 3.9300 . . 2 . . . . 6 PRO HD2 . 19154 1 58 . 1 1 6 6 PRO HD3 H 1 3.6200 . . 2 . . . . 6 PRO HD3 . 19154 1 59 . 1 1 6 6 PRO C C 13 174.5000 . . 1 . . . . 6 PRO C . 19154 1 60 . 1 1 6 6 PRO CA C 13 61.3000 . . 1 . . . . 6 PRO CA . 19154 1 61 . 1 1 6 6 PRO CB C 13 30.4000 . . 1 . . . . 6 PRO CB . 19154 1 62 . 1 1 6 6 PRO CG C 13 26.7000 . . 1 . . . . 6 PRO CG . 19154 1 63 . 1 1 6 6 PRO CD C 13 48.4000 . . 1 . . . . 6 PRO CD . 19154 1 64 . 1 1 7 7 ILE H H 1 8.0400 . . 1 . . . . 7 ILE H . 19154 1 65 . 1 1 7 7 ILE HA H 1 5.1300 . . 1 . . . . 7 ILE HA . 19154 1 66 . 1 1 7 7 ILE HB H 1 2.2400 . . 1 . . . . 7 ILE HB . 19154 1 67 . 1 1 7 7 ILE HG12 H 1 2.0400 . . 2 . . . . 7 ILE HG12 . 19154 1 68 . 1 1 7 7 ILE HG13 H 1 1.5600 . . 2 . . . . 7 ILE HG13 . 19154 1 69 . 1 1 7 7 ILE HG21 H 1 1.0400 . . 1 . . . . 7 ILE HG21 . 19154 1 70 . 1 1 7 7 ILE HG22 H 1 1.0400 . . 1 . . . . 7 ILE HG21 . 19154 1 71 . 1 1 7 7 ILE HG23 H 1 1.0400 . . 1 . . . . 7 ILE HG21 . 19154 1 72 . 1 1 7 7 ILE HD11 H 1 0.9900 . . 1 . . . . 7 ILE HD11 . 19154 1 73 . 1 1 7 7 ILE HD12 H 1 0.9900 . . 1 . . . . 7 ILE HD11 . 19154 1 74 . 1 1 7 7 ILE HD13 H 1 0.9900 . . 1 . . . . 7 ILE HD11 . 19154 1 75 . 1 1 7 7 ILE C C 13 170.7000 . . 1 . . . . 7 ILE C . 19154 1 76 . 1 1 7 7 ILE CA C 13 60.0000 . . 1 . . . . 7 ILE CA . 19154 1 77 . 1 1 7 7 ILE CB C 13 43.4000 . . 1 . . . . 7 ILE CB . 19154 1 78 . 1 1 7 7 ILE CG1 C 13 25.8000 . . 1 . . . . 7 ILE CG1 . 19154 1 79 . 1 1 7 7 ILE CG2 C 13 16.0000 . . 1 . . . . 7 ILE CG2 . 19154 1 80 . 1 1 7 7 ILE CD1 C 13 12.9000 . . 1 . . . . 7 ILE CD1 . 19154 1 81 . 1 1 8 8 ASP H H 1 9.5100 . . 1 . . . . 8 ASP H . 19154 1 82 . 1 1 8 8 ASP HA H 1 5.5700 . . 1 . . . . 8 ASP HA . 19154 1 83 . 1 1 8 8 ASP HB2 H 1 3.8300 . . 2 . . . . 8 ASP HB2 . 19154 1 84 . 1 1 8 8 ASP HB3 H 1 3.6900 . . 2 . . . . 8 ASP HB3 . 19154 1 85 . 1 1 8 8 ASP C C 13 173.1000 . . 1 . . . . 8 ASP C . 19154 1 86 . 1 1 8 8 ASP CA C 13 51.1000 . . 1 . . . . 8 ASP CA . 19154 1 87 . 1 1 8 8 ASP CB C 13 37.5000 . . 1 . . . . 8 ASP CB . 19154 1 88 . 1 1 8 8 ASP CG C 13 171.3000 . . 1 . . . . 8 ASP CG . 19154 1 89 . 1 1 9 9 SER H H 1 9.0100 . . 1 . . . . 9 SER H . 19154 1 90 . 1 1 9 9 SER HA H 1 4.7700 . . 1 . . . . 9 SER HA . 19154 1 91 . 1 1 9 9 SER HB2 H 1 4.0800 . . 2 . . . . 9 SER HB2 . 19154 1 92 . 1 1 9 9 SER HB3 H 1 3.8500 . . 2 . . . . 9 SER HB3 . 19154 1 93 . 1 1 9 9 SER C C 13 171.0000 . . 1 . . . . 9 SER C . 19154 1 94 . 1 1 9 9 SER CA C 13 58.6000 . . 1 . . . . 9 SER CA . 19154 1 95 . 1 1 9 9 SER CB C 13 62.0000 . . 1 . . . . 9 SER CB . 19154 1 96 . 1 1 10 10 PHE H H 1 9.1600 . . 1 . . . . 10 PHE H . 19154 1 97 . 1 1 10 10 PHE HA H 1 5.4300 . . 1 . . . . 10 PHE HA . 19154 1 98 . 1 1 10 10 PHE HB2 H 1 2.9200 . . 2 . . . . 10 PHE HB2 . 19154 1 99 . 1 1 10 10 PHE HB3 H 1 2.6900 . . 2 . . . . 10 PHE HB3 . 19154 1 100 . 1 1 10 10 PHE HD1 H 1 7.1200 . . 3 . . . . 10 PHE HD1 . 19154 1 101 . 1 1 10 10 PHE HD2 H 1 7.1200 . . 3 . . . . 10 PHE HD2 . 19154 1 102 . 1 1 10 10 PHE HE1 H 1 7.1500 . . 3 . . . . 10 PHE HE1 . 19154 1 103 . 1 1 10 10 PHE HE2 H 1 7.1500 . . 3 . . . . 10 PHE HE2 . 19154 1 104 . 1 1 10 10 PHE HZ H 1 7.0800 . . 1 . . . . 10 PHE HZ . 19154 1 105 . 1 1 10 10 PHE C C 13 172.1000 . . 1 . . . . 10 PHE C . 19154 1 106 . 1 1 10 10 PHE CA C 13 54.5000 . . 1 . . . . 10 PHE CA . 19154 1 107 . 1 1 10 10 PHE CB C 13 39.0000 . . 1 . . . . 10 PHE CB . 19154 1 108 . 1 1 10 10 PHE CG C 13 139.2000 . . 1 . . . . 10 PHE CG . 19154 1 109 . 1 1 10 10 PHE CD1 C 13 129.5000 . . 3 . . . . 10 PHE CD1 . 19154 1 110 . 1 1 10 10 PHE CD2 C 13 129.5000 . . 3 . . . . 10 PHE CD2 . 19154 1 111 . 1 1 10 10 PHE CE1 C 13 128.8000 . . 3 . . . . 10 PHE CE1 . 19154 1 112 . 1 1 10 10 PHE CE2 C 13 128.8000 . . 3 . . . . 10 PHE CE2 . 19154 1 113 . 1 1 10 10 PHE CZ C 13 126.8000 . . 1 . . . . 10 PHE CZ . 19154 1 114 . 1 1 11 11 GLY H H 1 8.0900 . . 1 . . . . 11 GLY H . 19154 1 115 . 1 1 11 11 GLY HA2 H 1 5.0100 . . 2 . . . . 11 GLY HA2 . 19154 1 116 . 1 1 11 11 GLY HA3 H 1 4.0900 . . 2 . . . . 11 GLY HA3 . 19154 1 117 . 1 1 11 11 GLY C C 13 170.0000 . . 1 . . . . 11 GLY C . 19154 1 118 . 1 1 11 11 GLY CA C 13 44.3000 . . 1 . . . . 11 GLY CA . 19154 1 119 . 1 1 12 12 LEU H H 1 10.2000 . . 1 . . . . 12 LEU H . 19154 1 120 . 1 1 12 12 LEU HA H 1 4.7500 . . 1 . . . . 12 LEU HA . 19154 1 121 . 1 1 12 12 LEU HB2 H 1 2.5600 . . 2 . . . . 12 LEU HB2 . 19154 1 122 . 1 1 12 12 LEU HB3 H 1 1.5500 . . 2 . . . . 12 LEU HB3 . 19154 1 123 . 1 1 12 12 LEU HG H 1 1.7500 . . 1 . . . . 12 LEU HG . 19154 1 124 . 1 1 12 12 LEU HD11 H 1 0.9000 . . 2 . . . . 12 LEU HD11 . 19154 1 125 . 1 1 12 12 LEU HD12 H 1 0.9000 . . 2 . . . . 12 LEU HD11 . 19154 1 126 . 1 1 12 12 LEU HD13 H 1 0.9000 . . 2 . . . . 12 LEU HD11 . 19154 1 127 . 1 1 12 12 LEU HD21 H 1 0.8600 . . 2 . . . . 12 LEU HD21 . 19154 1 128 . 1 1 12 12 LEU HD22 H 1 0.8600 . . 2 . . . . 12 LEU HD21 . 19154 1 129 . 1 1 12 12 LEU HD23 H 1 0.8600 . . 2 . . . . 12 LEU HD21 . 19154 1 130 . 1 1 12 12 LEU C C 13 175.0000 . . 1 . . . . 12 LEU C . 19154 1 131 . 1 1 12 12 LEU CA C 13 54.2000 . . 1 . . . . 12 LEU CA . 19154 1 132 . 1 1 12 12 LEU CB C 13 39.3000 . . 1 . . . . 12 LEU CB . 19154 1 133 . 1 1 12 12 LEU CG C 13 15.3000 . . 1 . . . . 12 LEU CG . 19154 1 134 . 1 1 12 12 LEU CD1 C 13 23.6000 . . 2 . . . . 12 LEU CD1 . 19154 1 135 . 1 1 12 12 LEU CD2 C 13 20.1000 . . 2 . . . . 12 LEU CD2 . 19154 1 136 . 1 1 13 13 SER H H 1 10.0100 . . 1 . . . . 13 SER H . 19154 1 137 . 1 1 13 13 SER HA H 1 5.3700 . . 1 . . . . 13 SER HA . 19154 1 138 . 1 1 13 13 SER HB2 H 1 4.4200 . . 2 . . . . 13 SER HB2 . 19154 1 139 . 1 1 13 13 SER HB3 H 1 4.0500 . . 2 . . . . 13 SER HB3 . 19154 1 140 . 1 1 13 13 SER C C 13 174.5000 . . 1 . . . . 13 SER C . 19154 1 141 . 1 1 13 13 SER CA C 13 55.2000 . . 1 . . . . 13 SER CA . 19154 1 142 . 1 1 13 13 SER CB C 13 64.5000 . . 1 . . . . 13 SER CB . 19154 1 143 . 1 1 14 14 TRP H H 1 8.3000 . . 1 . . . . 14 TRP H . 19154 1 144 . 1 1 14 14 TRP HA H 1 5.1700 . . 1 . . . . 14 TRP HA . 19154 1 145 . 1 1 14 14 TRP HB2 H 1 4.0900 . . 2 . . . . 14 TRP HB2 . 19154 1 146 . 1 1 14 14 TRP HB3 H 1 3.8200 . . 2 . . . . 14 TRP HB3 . 19154 1 147 . 1 1 14 14 TRP HD1 H 1 8.3500 . . 1 . . . . 14 TRP HD1 . 19154 1 148 . 1 1 14 14 TRP HE1 H 1 11.7500 . . 1 . . . . 14 TRP HE1 . 19154 1 149 . 1 1 14 14 TRP HE3 H 1 8.2000 . . 1 . . . . 14 TRP HE3 . 19154 1 150 . 1 1 14 14 TRP HZ2 H 1 7.4700 . . 1 . . . . 14 TRP HZ2 . 19154 1 151 . 1 1 14 14 TRP HZ3 H 1 7.1800 . . 1 . . . . 14 TRP HZ3 . 19154 1 152 . 1 1 14 14 TRP HH2 H 1 7.2000 . . 1 . . . . 14 TRP HH2 . 19154 1 153 . 1 1 14 14 TRP C C 13 170.6000 . . 1 . . . . 14 TRP C . 19154 1 154 . 1 1 14 14 TRP CA C 13 56.3000 . . 1 . . . . 14 TRP CA . 19154 1 155 . 1 1 14 14 TRP CB C 13 27.4000 . . 1 . . . . 14 TRP CB . 19154 1 156 . 1 1 14 14 TRP CG C 13 110.8000 . . 1 . . . . 14 TRP CG . 19154 1 157 . 1 1 14 14 TRP CD1 C 13 126.1000 . . 1 . . . . 14 TRP CD1 . 19154 1 158 . 1 1 14 14 TRP CD2 C 13 129.7000 . . 1 . . . . 14 TRP CD2 . 19154 1 159 . 1 1 14 14 TRP CE2 C 13 137.8000 . . 1 . . . . 14 TRP CE2 . 19154 1 160 . 1 1 14 14 TRP CE3 C 13 120.9000 . . 1 . . . . 14 TRP CE3 . 19154 1 161 . 1 1 14 14 TRP CZ2 C 13 111.9000 . . 1 . . . . 14 TRP CZ2 . 19154 1 162 . 1 1 14 14 TRP CZ3 C 13 119.5000 . . 1 . . . . 14 TRP CZ3 . 19154 1 163 . 1 1 14 14 TRP CH2 C 13 121.8000 . . 1 . . . . 14 TRP CH2 . 19154 1 164 . 1 1 15 15 LEU H H 1 7.8000 . . 1 . . . . 15 LEU H . 19154 1 165 . 1 1 15 15 LEU HA H 1 4.9200 . . 1 . . . . 15 LEU HA . 19154 1 166 . 1 1 15 15 LEU HB2 H 1 1.4100 . . 2 . . . . 15 LEU HB2 . 19154 1 167 . 1 1 15 15 LEU HB3 H 1 1.0300 . . 2 . . . . 15 LEU HB3 . 19154 1 168 . 1 1 15 15 LEU HG H 1 1.5000 . . 1 . . . . 15 LEU HG . 19154 1 169 . 1 1 15 15 LEU C C 13 179.7000 . . 1 . . . . 15 LEU C . 19154 1 170 . 1 1 15 15 LEU HD11 H 1 0.8200 . . 2 . . . . 15 LEU HD11 . 19154 1 171 . 1 1 15 15 LEU HD12 H 1 0.8200 . . 2 . . . . 15 LEU HD11 . 19154 1 172 . 1 1 15 15 LEU HD13 H 1 0.8200 . . 2 . . . . 15 LEU HD11 . 19154 1 173 . 1 1 15 15 LEU HD21 H 1 0.7300 . . 2 . . . . 15 LEU HD21 . 19154 1 174 . 1 1 15 15 LEU HD22 H 1 0.7300 . . 2 . . . . 15 LEU HD21 . 19154 1 175 . 1 1 15 15 LEU HD23 H 1 0.7300 . . 2 . . . . 15 LEU HD21 . 19154 1 176 . 1 1 15 15 LEU CA C 13 54.4000 . . 1 . . . . 15 LEU CA . 19154 1 177 . 1 1 15 15 LEU CB C 13 43.9000 . . 1 . . . . 15 LEU CB . 19154 1 178 . 1 1 15 15 LEU CG C 13 25.2000 . . 1 . . . . 15 LEU CG . 19154 1 179 . 1 1 15 15 LEU CD1 C 13 23.2000 . . 2 . . . . 15 LEU CD1 . 19154 1 180 . 1 1 15 15 LEU CD2 C 13 23.1000 . . 2 . . . . 15 LEU CD2 . 19154 1 stop_ save_