################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30650 _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 $chem_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' . . . 30650 1 2 '2D 1H-1H NOESY' . . . 30650 1 3 '2D 1H-13C HSQC' . . . 30650 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 1 1 ILE H H 1 8.4870 0.0000 . 1 . . . . A 1 ILE H1 . 30650 1 2 . 1 . 1 1 1 ILE HA H 1 3.9690 0.0000 . 1 . . . . A 1 ILE HA . 30650 1 3 . 1 . 1 1 1 ILE HB H 1 2.0500 0.0000 . 1 . . . . A 1 ILE HB . 30650 1 4 . 1 . 1 1 1 ILE HG21 H 1 1.2200 0.0000 . 1 . . . . A 1 ILE HG21 . 30650 1 5 . 1 . 1 1 1 ILE HG22 H 1 1.2200 0.0000 . 1 . . . . A 1 ILE HG22 . 30650 1 6 . 1 . 1 1 1 ILE HG23 H 1 1.2200 0.0000 . 1 . . . . A 1 ILE HG23 . 30650 1 7 . 1 . 1 1 1 ILE HD11 H 1 1.2100 0.0000 . 1 . . . . A 1 ILE HD11 . 30650 1 8 . 1 . 1 1 1 ILE HD12 H 1 1.2100 0.0000 . 1 . . . . A 1 ILE HD12 . 30650 1 9 . 1 . 1 1 1 ILE HD13 H 1 1.2100 0.0000 . 1 . . . . A 1 ILE HD13 . 30650 1 10 . 1 . 1 1 1 ILE CA C 13 62.1500 0.0000 . 1 . . . . A 1 ILE CA . 30650 1 11 . 1 . 1 1 1 ILE CB C 13 38.5900 0.0000 . 1 . . . . A 1 ILE CB . 30650 1 12 . 1 . 1 2 2 ASN H H 1 7.7860 0.0000 . 1 . . . . A 2 ASN H . 30650 1 13 . 1 . 1 2 2 ASN HA H 1 5.2040 0.0000 . 1 . . . . A 2 ASN HA . 30650 1 14 . 1 . 1 2 2 ASN HB2 H 1 3.2800 0.0000 . 2 . . . . A 2 ASN HB2 . 30650 1 15 . 1 . 1 2 2 ASN HB3 H 1 2.9090 0.0000 . 2 . . . . A 2 ASN HB3 . 30650 1 16 . 1 . 1 2 2 ASN HD21 H 1 7.1090 0.0000 . 2 . . . . A 2 ASN HD21 . 30650 1 17 . 1 . 1 2 2 ASN HD22 H 1 7.2420 0.0000 . 2 . . . . A 2 ASN HD22 . 30650 1 18 . 1 . 1 2 2 ASN CB C 13 39.4400 0.0000 . 1 . . . . A 2 ASN CB . 30650 1 19 . 1 . 1 3 3 TRP H H 1 8.5220 0.0000 . 1 . . . . A 3 TRP H . 30650 1 20 . 1 . 1 3 3 TRP HA H 1 4.4000 0.0000 . 1 . . . . A 3 TRP HA . 30650 1 21 . 1 . 1 3 3 TRP HB2 H 1 3.5830 0.0000 . 1 . . . . A 3 TRP HB2 . 30650 1 22 . 1 . 1 3 3 TRP HB3 H 1 3.4300 0.0000 . 2 . . . . A 3 TRP HB3 . 30650 1 23 . 1 . 1 3 3 TRP HE1 H 1 10.1510 0.0000 . 1 . . . . A 3 TRP HE1 . 30650 1 24 . 1 . 1 3 3 TRP HE3 H 1 7.6310 0.0000 . 1 . . . . A 3 TRP HE3 . 30650 1 25 . 1 . 1 3 3 TRP HZ2 H 1 7.5300 0.0000 . 1 . . . . A 3 TRP HZ2 . 30650 1 26 . 1 . 1 3 3 TRP HH2 H 1 7.6310 0.0000 . 1 . . . . A 3 TRP HH2 . 30650 1 27 . 1 . 1 3 3 TRP CA C 13 55.9100 0.0000 . 1 . . . . A 3 TRP CA . 30650 1 28 . 1 . 1 3 3 TRP CZ2 C 13 111.0000 0.0000 . 1 . . . . A 3 TRP CZ2 . 30650 1 29 . 1 . 1 4 4 LEU H H 1 8.0890 0.0000 . 1 . . . . A 4 LEU H . 30650 1 30 . 1 . 1 4 4 LEU HA H 1 4.3430 0.0000 . 1 . . . . A 4 LEU HA . 30650 1 31 . 1 . 1 4 4 LEU HB2 H 1 2.0300 0.0000 . 2 . . . . A 4 LEU HB2 . 30650 1 32 . 1 . 1 4 4 LEU HB3 H 1 1.9500 0.0000 . 2 . . . . A 4 LEU HB3 . 30650 1 33 . 1 . 1 4 4 LEU HD11 H 1 1.1300 0.0000 . 2 . . . . A 4 LEU HD11 . 30650 1 34 . 1 . 1 4 4 LEU HD12 H 1 1.1300 0.0000 . 2 . . . . A 4 LEU HD12 . 30650 1 35 . 1 . 1 4 4 LEU HD13 H 1 1.1300 0.0000 . 2 . . . . A 4 LEU HD13 . 30650 1 36 . 1 . 1 4 4 LEU HD21 H 1 1.1100 0.0000 . 2 . . . . A 4 LEU HD21 . 30650 1 37 . 1 . 1 4 4 LEU HD22 H 1 1.1100 0.0000 . 2 . . . . A 4 LEU HD22 . 30650 1 38 . 1 . 1 4 4 LEU HD23 H 1 1.1100 0.0000 . 2 . . . . A 4 LEU HD23 . 30650 1 39 . 1 . 1 4 4 LEU CA C 13 55.9000 0.0000 . 1 . . . . A 4 LEU CA . 30650 1 40 . 1 . 1 4 4 LEU CB C 13 38.8800 0.0000 . 1 . . . . A 4 LEU CB . 30650 1 41 . 1 . 1 4 4 LEU CD1 C 13 22.4400 0.0000 . 2 . . . . A 4 LEU CD1 . 30650 1 42 . 1 . 1 4 4 LEU CD2 C 13 21.8600 0.0000 . 2 . . . . A 4 LEU CD2 . 30650 1 43 . 1 . 1 5 5 LYS H H 1 7.7880 0.0000 . 1 . . . . A 5 LYS H . 30650 1 44 . 1 . 1 5 5 LYS HA H 1 4.1520 0.0000 . 1 . . . . A 5 LYS HA . 30650 1 45 . 1 . 1 5 5 LYS HB2 H 1 2.0500 0.0000 . 2 . . . . A 5 LYS HB2 . 30650 1 46 . 1 . 1 5 5 LYS HB3 H 1 2.0100 0.0000 . 2 . . . . A 5 LYS HB3 . 30650 1 47 . 1 . 1 5 5 LYS HG2 H 1 1.5400 0.0000 . 2 . . . . A 5 LYS HG2 . 30650 1 48 . 1 . 1 5 5 LYS HG3 H 1 1.5400 0.0000 . 2 . . . . A 5 LYS HG3 . 30650 1 49 . 1 . 1 5 5 LYS HD2 H 1 1.8110 0.0000 . 2 . . . . A 5 LYS HD2 . 30650 1 50 . 1 . 1 5 5 LYS HD3 H 1 1.8100 0.0000 . 2 . . . . A 5 LYS HD3 . 30650 1 51 . 1 . 1 5 5 LYS HE2 H 1 3.2000 0.0000 . 2 . . . . A 5 LYS HE2 . 30650 1 52 . 1 . 1 5 5 LYS HE3 H 1 3.2000 0.0000 . 2 . . . . A 5 LYS HE3 . 30650 1 53 . 1 . 1 5 5 LYS CA C 13 61.1500 0.0000 . 1 . . . . A 5 LYS CA . 30650 1 54 . 1 . 1 5 5 LYS CB C 13 29.8000 0.0000 . 1 . . . . A 5 LYS CB . 30650 1 55 . 1 . 1 5 5 LYS CG C 13 24.8500 0.0000 . 1 . . . . A 5 LYS CG . 30650 1 56 . 1 . 1 5 5 LYS CD C 13 28.3300 0.0000 . 1 . . . . A 5 LYS CD . 30650 1 57 . 1 . 1 5 5 LYS CE C 13 39.5100 0.0000 . 1 . . . . A 5 LYS CE . 30650 1 58 . 1 . 1 6 6 LEU H H 1 8.0810 0.0000 . 1 . . . . A 6 LEU H . 30650 1 59 . 1 . 1 6 6 LEU HA H 1 4.4050 0.0000 . 1 . . . . A 6 LEU HA . 30650 1 60 . 1 . 1 6 6 LEU HB2 H 1 2.0500 0.0000 . 1 . . . . A 6 LEU HB2 . 30650 1 61 . 1 . 1 6 6 LEU HB3 H 1 1.9400 0.0000 . 1 . . . . A 6 LEU HB3 . 30650 1 62 . 1 . 1 6 6 LEU HD11 H 1 1.2800 0.0000 . 2 . . . . A 6 LEU HD11 . 30650 1 63 . 1 . 1 6 6 LEU HD12 H 1 1.2800 0.0000 . 2 . . . . A 6 LEU HD12 . 30650 1 64 . 1 . 1 6 6 LEU HD13 H 1 1.2800 0.0000 . 2 . . . . A 6 LEU HD13 . 30650 1 65 . 1 . 1 6 6 LEU HD21 H 1 1.2100 0.0000 . 2 . . . . A 6 LEU HD21 . 30650 1 66 . 1 . 1 6 6 LEU HD22 H 1 1.2100 0.0000 . 2 . . . . A 6 LEU HD22 . 30650 1 67 . 1 . 1 6 6 LEU HD23 H 1 1.2100 0.0000 . 2 . . . . A 6 LEU HD23 . 30650 1 68 . 1 . 1 6 6 LEU CA C 13 57.2300 0.0000 . 1 . . . . A 6 LEU CA . 30650 1 69 . 1 . 1 6 6 LEU CB C 13 39.0000 0.0000 . 1 . . . . A 6 LEU CB . 30650 1 70 . 1 . 1 6 6 LEU CD2 C 13 21.8100 0.0000 . 2 . . . . A 6 LEU CD2 . 30650 1 71 . 1 . 1 7 7 GLY H H 1 9.2000 0.0000 . 1 . . . . A 7 GLY H . 30650 1 72 . 1 . 1 7 7 GLY HA2 H 1 3.9900 0.0000 . 2 . . . . A 7 GLY HA2 . 30650 1 73 . 1 . 1 7 7 GLY HA3 H 1 3.9800 0.0000 . 2 . . . . A 7 GLY HA3 . 30650 1 74 . 1 . 1 7 7 GLY CA C 13 45.4900 0.0000 . 1 . . . . A 7 GLY CA . 30650 1 75 . 1 . 1 8 8 LYS H H 1 8.0400 0.0000 . 1 . . . . A 8 LYS H . 30650 1 76 . 1 . 1 8 8 LYS HA H 1 4.3900 0.0000 . 1 . . . . A 8 LYS HA . 30650 1 77 . 1 . 1 8 8 LYS HB2 H 1 2.3500 0.0000 . 2 . . . . A 8 LYS HB2 . 30650 1 78 . 1 . 1 8 8 LYS HB3 H 1 2.3200 0.0000 . 2 . . . . A 8 LYS HB3 . 30650 1 79 . 1 . 1 8 8 LYS HD2 H 1 2.0500 0.0000 . 2 . . . . A 8 LYS HD2 . 30650 1 80 . 1 . 1 8 8 LYS HD3 H 1 1.9900 0.0000 . 2 . . . . A 8 LYS HD3 . 30650 1 81 . 1 . 1 8 8 LYS HE2 H 1 3.1900 0.0000 . 2 . . . . A 8 LYS HE2 . 30650 1 82 . 1 . 1 8 8 LYS HE3 H 1 3.1900 0.0000 . 2 . . . . A 8 LYS HE3 . 30650 1 83 . 1 . 1 8 8 LYS CA C 13 57.3600 0.0000 . 1 . . . . A 8 LYS CA . 30650 1 84 . 1 . 1 8 8 LYS CB C 13 29.7500 0.0000 . 1 . . . . A 8 LYS CB . 30650 1 85 . 1 . 1 8 8 LYS CD C 13 29.8500 0.0000 . 1 . . . . A 8 LYS CD . 30650 1 86 . 1 . 1 8 8 LYS CE C 13 39.4800 0.0000 . 1 . . . . A 8 LYS CE . 30650 1 87 . 1 . 1 9 9 LYS H H 1 8.6690 0.0000 . 1 . . . . A 9 LYS H . 30650 1 88 . 1 . 1 9 9 LYS HA H 1 4.1950 0.0000 . 1 . . . . A 9 LYS HA . 30650 1 89 . 1 . 1 9 9 LYS HB2 H 1 2.1880 0.0000 . 1 . . . . A 9 LYS HB2 . 30650 1 90 . 1 . 1 9 9 LYS HB3 H 1 2.1740 0.0000 . 1 . . . . A 9 LYS HB3 . 30650 1 91 . 1 . 1 9 9 LYS HG2 H 1 1.7300 0.0000 . 1 . . . . A 9 LYS HG2 . 30650 1 92 . 1 . 1 9 9 LYS HG3 H 1 1.7200 0.0000 . 1 . . . . A 9 LYS HG3 . 30650 1 93 . 1 . 1 9 9 LYS HD2 H 1 1.9300 0.0000 . 1 . . . . A 9 LYS HD2 . 30650 1 94 . 1 . 1 9 9 LYS HD3 H 1 1.9300 0.0000 . 1 . . . . A 9 LYS HD3 . 30650 1 95 . 1 . 1 9 9 LYS HE2 H 1 3.2150 0.0000 . 1 . . . . A 9 LYS HE2 . 30650 1 96 . 1 . 1 9 9 LYS HE3 H 1 3.2150 0.0000 . 1 . . . . A 9 LYS HE3 . 30650 1 97 . 1 . 1 9 9 LYS CA C 13 57.6500 0.0000 . 1 . . . . A 9 LYS CA . 30650 1 98 . 1 . 1 9 9 LYS CB C 13 29.7500 0.0000 . 1 . . . . A 9 LYS CB . 30650 1 99 . 1 . 1 9 9 LYS CG C 13 23.0000 0.0000 . 1 . . . . A 9 LYS CG . 30650 1 100 . 1 . 1 9 9 LYS CD C 13 26.6700 0.0000 . 1 . . . . A 9 LYS CD . 30650 1 101 . 1 . 1 9 9 LYS CE C 13 39.5100 0.0000 . 1 . . . . A 9 LYS CE . 30650 1 102 . 1 . 1 10 10 ILE H H 1 8.4900 0.0000 . 1 . . . . A 10 ILE H . 30650 1 103 . 1 . 1 10 10 ILE HA H 1 3.8900 0.0000 . 1 . . . . A 10 ILE HA . 30650 1 104 . 1 . 1 10 10 ILE HB H 1 2.3400 0.0000 . 1 . . . . A 10 ILE HB . 30650 1 105 . 1 . 1 10 10 ILE HG21 H 1 1.1600 0.0000 . 1 . . . . A 10 ILE HG21 . 30650 1 106 . 1 . 1 10 10 ILE HG22 H 1 1.1600 0.0000 . 1 . . . . A 10 ILE HG22 . 30650 1 107 . 1 . 1 10 10 ILE HG23 H 1 1.1600 0.0000 . 1 . . . . A 10 ILE HG23 . 30650 1 108 . 1 . 1 10 10 ILE HD11 H 1 1.1300 0.0000 . 1 . . . . A 10 ILE HD11 . 30650 1 109 . 1 . 1 10 10 ILE HD12 H 1 1.1300 0.0000 . 1 . . . . A 10 ILE HD12 . 30650 1 110 . 1 . 1 10 10 ILE HD13 H 1 1.1300 0.0000 . 1 . . . . A 10 ILE HD13 . 30650 1 111 . 1 . 1 10 10 ILE CA C 13 62.7600 0.0000 . 1 . . . . A 10 ILE CA . 30650 1 112 . 1 . 1 10 10 ILE CB C 13 38.8900 0.0000 . 1 . . . . A 10 ILE CB . 30650 1 113 . 1 . 1 10 10 ILE CG2 C 13 15.0500 0.0000 . 1 . . . . A 10 ILE CG2 . 30650 1 114 . 1 . 1 10 10 ILE CD1 C 13 10.7600 0.0000 . 1 . . . . A 10 ILE CD1 . 30650 1 115 . 1 . 1 11 11 ILE H H 1 8.4500 0.0000 . 1 . . . . A 11 ILE H . 30650 1 116 . 1 . 1 11 11 ILE HA H 1 3.9690 0.0000 . 1 . . . . A 11 ILE HA . 30650 1 117 . 1 . 1 11 11 ILE HB H 1 2.2110 0.0000 . 1 . . . . A 11 ILE HB . 30650 1 118 . 1 . 1 11 11 ILE HG21 H 1 1.2200 0.0000 . 1 . . . . A 11 ILE HG21 . 30650 1 119 . 1 . 1 11 11 ILE HG22 H 1 1.2200 0.0000 . 1 . . . . A 11 ILE HG22 . 30650 1 120 . 1 . 1 11 11 ILE HG23 H 1 1.2200 0.0000 . 1 . . . . A 11 ILE HG23 . 30650 1 121 . 1 . 1 11 11 ILE HD11 H 1 1.2100 0.0000 . 1 . . . . A 11 ILE HD11 . 30650 1 122 . 1 . 1 11 11 ILE HD12 H 1 1.2100 0.0000 . 1 . . . . A 11 ILE HD12 . 30650 1 123 . 1 . 1 11 11 ILE HD13 H 1 1.2100 0.0000 . 1 . . . . A 11 ILE HD13 . 30650 1 124 . 1 . 1 11 11 ILE CA C 13 62.1500 0.0000 . 1 . . . . A 11 ILE CA . 30650 1 125 . 1 . 1 11 11 ILE CG2 C 13 21.7000 0.0000 . 1 . . . . A 11 ILE CG2 . 30650 1 126 . 1 . 1 11 11 ILE CD1 C 13 15.0000 0.0000 . 1 . . . . A 11 ILE CD1 . 30650 1 127 . 1 . 1 12 12 ALA H H 1 8.3520 0.0000 . 1 . . . . A 12 ALA H . 30650 1 128 . 1 . 1 12 12 ALA HA H 1 4.4110 0.0000 . 1 . . . . A 12 ALA HA . 30650 1 129 . 1 . 1 12 12 ALA HB1 H 1 1.7810 0.0000 . 1 . . . . A 12 ALA HB1 . 30650 1 130 . 1 . 1 12 12 ALA HB2 H 1 1.7810 0.0000 . 1 . . . . A 12 ALA HB2 . 30650 1 131 . 1 . 1 12 12 ALA HB3 H 1 1.7810 0.0000 . 1 . . . . A 12 ALA HB3 . 30650 1 132 . 1 . 1 12 12 ALA CA C 13 51.9500 0.0000 . 1 . . . . A 12 ALA CA . 30650 1 133 . 1 . 1 12 12 ALA CB C 13 16.0700 0.0000 . 1 . . . . A 12 ALA CB . 30650 1 134 . 1 . 1 13 13 SER H H 1 8.0600 0.0000 . 1 . . . . A 13 SER H . 30650 1 135 . 1 . 1 13 13 SER HA H 1 4.6200 0.0000 . 1 . . . . A 13 SER HA . 30650 1 136 . 1 . 1 13 13 SER HB2 H 1 4.2800 0.0000 . 2 . . . . A 13 SER HB2 . 30650 1 137 . 1 . 1 13 13 SER HB3 H 1 4.2090 0.0000 . 2 . . . . A 13 SER HB3 . 30650 1 138 . 1 . 1 13 13 SER CA C 13 58.2900 0.0000 . 1 . . . . A 13 SER CA . 30650 1 139 . 1 . 1 13 13 SER CB C 13 61.0000 0.0000 . 1 . . . . A 13 SER CB . 30650 1 140 . 1 . 1 14 14 LEU H H 1 8.0200 0.0000 . 1 . . . . A 14 LEU H . 30650 1 141 . 1 . 1 14 14 LEU HA H 1 4.5210 0.0000 . 1 . . . . A 14 LEU HA . 30650 1 142 . 1 . 1 14 14 LEU HB2 H 1 2.1500 0.0000 . 2 . . . . A 14 LEU HB2 . 30650 1 143 . 1 . 1 14 14 LEU HB3 H 1 2.0600 0.0000 . 2 . . . . A 14 LEU HB3 . 30650 1 144 . 1 . 1 14 14 LEU HG H 1 1.8100 0.0000 . 1 . . . . A 14 LEU HG . 30650 1 145 . 1 . 1 14 14 LEU HD11 H 1 1.1300 0.0000 . 2 . . . . A 14 LEU HD11 . 30650 1 146 . 1 . 1 14 14 LEU HD12 H 1 1.1300 0.0000 . 2 . . . . A 14 LEU HD12 . 30650 1 147 . 1 . 1 14 14 LEU HD13 H 1 1.1300 0.0000 . 2 . . . . A 14 LEU HD13 . 30650 1 148 . 1 . 1 14 14 LEU HD21 H 1 1.1200 0.0000 . 2 . . . . A 14 LEU HD21 . 30650 1 149 . 1 . 1 14 14 LEU HD22 H 1 1.1200 0.0000 . 2 . . . . A 14 LEU HD22 . 30650 1 150 . 1 . 1 14 14 LEU HD23 H 1 1.1200 0.0000 . 2 . . . . A 14 LEU HD23 . 30650 1 151 . 1 . 1 14 14 LEU CA C 13 53.0600 0.0000 . 1 . . . . A 14 LEU CA . 30650 1 152 . 1 . 1 14 14 LEU CB C 13 39.2100 0.0000 . 1 . . . . A 14 LEU CB . 30650 1 153 . 1 . 1 14 14 LEU CD1 C 13 23.3000 0.0000 . 2 . . . . A 14 LEU CD1 . 30650 1 154 . 1 . 1 14 14 LEU CD2 C 13 22.4400 0.0000 . 2 . . . . A 14 LEU CD2 . 30650 1 stop_ save_