################################### # 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 34476 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _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 NOESY' . . . 34476 1 2 '2D TOCSY' . . . 34476 1 3 '2D 1H-13C HSQC' . . . 34476 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 PHE HA H 1 4.196 0.020 . 1 . . . . A 1 PHE HA . 34476 1 2 . 1 . 1 1 1 PHE HB2 H 1 3.133 0.020 . 1 . . . . A 1 PHE HB2 . 34476 1 3 . 1 . 1 1 1 PHE HB3 H 1 3.133 0.020 . 1 . . . . A 1 PHE HB3 . 34476 1 4 . 1 . 1 1 1 PHE HD1 H 1 7.235 0.020 . 1 . . . . A 1 PHE HD1 . 34476 1 5 . 1 . 1 1 1 PHE HD2 H 1 7.235 0.020 . 1 . . . . A 1 PHE HD2 . 34476 1 6 . 1 . 1 1 1 PHE HE1 H 1 7.366 0.020 . 1 . . . . A 1 PHE HE1 . 34476 1 7 . 1 . 1 1 1 PHE HE2 H 1 7.366 0.020 . 1 . . . . A 1 PHE HE2 . 34476 1 8 . 1 . 1 1 1 PHE CA C 13 57.147 0.3 . 1 . . . . A 1 PHE CA . 34476 1 9 . 1 . 1 1 1 PHE CB C 13 40.114 0.3 . 1 . . . . A 1 PHE CB . 34476 1 10 . 1 . 1 2 2 LEU HA H 1 4.636 0.020 . 1 . . . . A 2 LEU HA . 34476 1 11 . 1 . 1 2 2 LEU HB2 H 1 1.526 0.020 . 1 . . . . A 2 LEU HB2 . 34476 1 12 . 1 . 1 2 2 LEU HB3 H 1 1.526 0.020 . 1 . . . . A 2 LEU HB3 . 34476 1 13 . 1 . 1 2 2 LEU HG H 1 1.589 0.020 . 1 . . . . A 2 LEU HG . 34476 1 14 . 1 . 1 2 2 LEU HD11 H 1 0.913 0.020 . 2 . . . . A 2 LEU HD11 . 34476 1 15 . 1 . 1 2 2 LEU HD12 H 1 0.913 0.020 . 2 . . . . A 2 LEU HD12 . 34476 1 16 . 1 . 1 2 2 LEU HD13 H 1 0.913 0.020 . 2 . . . . A 2 LEU HD13 . 34476 1 17 . 1 . 1 2 2 LEU HD21 H 1 0.893 0.020 . 2 . . . . A 2 LEU HD21 . 34476 1 18 . 1 . 1 2 2 LEU HD22 H 1 0.893 0.020 . 2 . . . . A 2 LEU HD22 . 34476 1 19 . 1 . 1 2 2 LEU HD23 H 1 0.893 0.020 . 2 . . . . A 2 LEU HD23 . 34476 1 20 . 1 . 1 2 2 LEU CA C 13 52.683 0.3 . 1 . . . . A 2 LEU CA . 34476 1 21 . 1 . 1 2 2 LEU CB C 13 42.364 0.3 . 1 . . . . A 2 LEU CB . 34476 1 22 . 1 . 1 3 3 PRO HA H 1 4.360 0.020 . 1 . . . . A 3 PRO HA . 34476 1 23 . 1 . 1 3 3 PRO HB2 H 1 2.312 0.020 . 2 . . . . A 3 PRO HB2 . 34476 1 24 . 1 . 1 3 3 PRO HB3 H 1 1.872 0.020 . 2 . . . . A 3 PRO HB3 . 34476 1 25 . 1 . 1 3 3 PRO HG2 H 1 2.008 0.020 . 1 . . . . A 3 PRO HG2 . 34476 1 26 . 1 . 1 3 3 PRO HG3 H 1 2.008 0.020 . 1 . . . . A 3 PRO HG3 . 34476 1 27 . 1 . 1 3 3 PRO HD2 H 1 3.737 0.020 . 2 . . . . A 3 PRO HD2 . 34476 1 28 . 1 . 1 3 3 PRO HD3 H 1 3.610 0.020 . 2 . . . . A 3 PRO HD3 . 34476 1 29 . 1 . 1 3 3 PRO CA C 13 62.938 0.3 . 1 . . . . A 3 PRO CA . 34476 1 30 . 1 . 1 3 3 PRO CB C 13 32.201 0.3 . 1 . . . . A 3 PRO CB . 34476 1 31 . 1 . 1 3 3 PRO CG C 13 27.336 0.3 . 1 . . . . A 3 PRO CG . 34476 1 32 . 1 . 1 3 3 PRO CD C 13 50.674 0.3 . 1 . . . . A 3 PRO CD . 34476 1 33 . 1 . 1 4 4 LYS H H 1 8.344 0.020 . 1 . . . . A 4 LYS H . 34476 1 34 . 1 . 1 4 4 LYS HA H 1 4.215 0.020 . 1 . . . . A 4 LYS HA . 34476 1 35 . 1 . 1 4 4 LYS HB2 H 1 1.760 0.020 . 2 . . . . A 4 LYS HB2 . 34476 1 36 . 1 . 1 4 4 LYS HB3 H 1 1.730 0.020 . 2 . . . . A 4 LYS HB3 . 34476 1 37 . 1 . 1 4 4 LYS HG2 H 1 1.452 0.020 . 2 . . . . A 4 LYS HG2 . 34476 1 38 . 1 . 1 4 4 LYS HG3 H 1 1.367 0.020 . 2 . . . . A 4 LYS HG3 . 34476 1 39 . 1 . 1 4 4 LYS HD2 H 1 1.671 0.020 . 1 . . . . A 4 LYS HD2 . 34476 1 40 . 1 . 1 4 4 LYS HD3 H 1 1.671 0.020 . 1 . . . . A 4 LYS HD3 . 34476 1 41 . 1 . 1 4 4 LYS HE2 H 1 2.966 0.020 . 1 . . . . A 4 LYS HE2 . 34476 1 42 . 1 . 1 4 4 LYS HE3 H 1 2.966 0.020 . 1 . . . . A 4 LYS HE3 . 34476 1 43 . 1 . 1 4 4 LYS CA C 13 56.616 0.3 . 1 . . . . A 4 LYS CA . 34476 1 44 . 1 . 1 4 4 LYS CB C 13 33.039 0.3 . 1 . . . . A 4 LYS CB . 34476 1 45 . 1 . 1 4 4 LYS CG C 13 24.884 0.3 . 1 . . . . A 4 LYS CG . 34476 1 46 . 1 . 1 4 4 LYS CD C 13 29.154 0.3 . 1 . . . . A 4 LYS CD . 34476 1 47 . 1 . 1 4 4 LYS CE C 13 42.150 0.3 . 1 . . . . A 4 LYS CE . 34476 1 48 . 1 . 1 5 5 ILE H H 1 8.121 0.020 . 1 . . . . A 5 ILE H . 34476 1 49 . 1 . 1 5 5 ILE HA H 1 4.124 0.020 . 1 . . . . A 5 ILE HA . 34476 1 50 . 1 . 1 5 5 ILE HB H 1 1.812 0.020 . 1 . . . . A 5 ILE HB . 34476 1 51 . 1 . 1 5 5 ILE HG12 H 1 1.441 0.020 . 2 . . . . A 5 ILE HG12 . 34476 1 52 . 1 . 1 5 5 ILE HG13 H 1 1.164 0.020 . 2 . . . . A 5 ILE HG13 . 34476 1 53 . 1 . 1 5 5 ILE HG21 H 1 0.853 0.020 . 1 . . . . A 5 ILE HG21 . 34476 1 54 . 1 . 1 5 5 ILE HG22 H 1 0.853 0.020 . 1 . . . . A 5 ILE HG22 . 34476 1 55 . 1 . 1 5 5 ILE HG23 H 1 0.853 0.020 . 1 . . . . A 5 ILE HG23 . 34476 1 56 . 1 . 1 5 5 ILE HD11 H 1 0.837 0.020 . 1 . . . . A 5 ILE HD11 . 34476 1 57 . 1 . 1 5 5 ILE HD12 H 1 0.837 0.020 . 1 . . . . A 5 ILE HD12 . 34476 1 58 . 1 . 1 5 5 ILE HD13 H 1 0.837 0.020 . 1 . . . . A 5 ILE HD13 . 34476 1 59 . 1 . 1 5 5 ILE CA C 13 60.906 0.3 . 1 . . . . A 5 ILE CA . 34476 1 60 . 1 . 1 5 5 ILE CB C 13 38.684 0.3 . 1 . . . . A 5 ILE CB . 34476 1 61 . 1 . 1 5 5 ILE CG1 C 13 27.315 0.3 . 1 . . . . A 5 ILE CG1 . 34476 1 62 . 1 . 1 5 5 ILE CG2 C 13 17.425 0.3 . 1 . . . . A 5 ILE CG2 . 34476 1 63 . 1 . 1 5 5 ILE CD1 C 13 12.624 0.3 . 1 . . . . A 5 ILE CD1 . 34476 1 64 . 1 . 1 6 6 LEU H H 1 8.319 0.020 . 1 . . . . A 6 LEU H . 34476 1 65 . 1 . 1 6 6 LEU HA H 1 4.378 0.020 . 1 . . . . A 6 LEU HA . 34476 1 66 . 1 . 1 6 6 LEU HB2 H 1 1.610 0.020 . 1 . . . . A 6 LEU HB2 . 34476 1 67 . 1 . 1 6 6 LEU HB3 H 1 1.610 0.020 . 1 . . . . A 6 LEU HB3 . 34476 1 68 . 1 . 1 6 6 LEU HG H 1 1.568 0.020 . 1 . . . . A 6 LEU HG . 34476 1 69 . 1 . 1 6 6 LEU HD11 H 1 0.909 0.020 . 2 . . . . A 6 LEU HD11 . 34476 1 70 . 1 . 1 6 6 LEU HD12 H 1 0.909 0.020 . 2 . . . . A 6 LEU HD12 . 34476 1 71 . 1 . 1 6 6 LEU HD13 H 1 0.909 0.020 . 2 . . . . A 6 LEU HD13 . 34476 1 72 . 1 . 1 6 6 LEU HD21 H 1 0.848 0.020 . 2 . . . . A 6 LEU HD21 . 34476 1 73 . 1 . 1 6 6 LEU HD22 H 1 0.848 0.020 . 2 . . . . A 6 LEU HD22 . 34476 1 74 . 1 . 1 6 6 LEU HD23 H 1 0.848 0.020 . 2 . . . . A 6 LEU HD23 . 34476 1 75 . 1 . 1 6 6 LEU CA C 13 54.908 0.3 . 1 . . . . A 6 LEU CA . 34476 1 76 . 1 . 1 6 6 LEU CB C 13 42.442 0.3 . 1 . . . . A 6 LEU CB . 34476 1 77 . 1 . 1 7 7 ARG H H 1 8.222 0.020 . 1 . . . . A 7 ARG H . 34476 1 78 . 1 . 1 7 7 ARG HA H 1 4.296 0.020 . 1 . . . . A 7 ARG HA . 34476 1 79 . 1 . 1 7 7 ARG HB2 H 1 1.789 0.020 . 2 . . . . A 7 ARG HB2 . 34476 1 80 . 1 . 1 7 7 ARG HB3 H 1 1.722 0.020 . 2 . . . . A 7 ARG HB3 . 34476 1 81 . 1 . 1 7 7 ARG HG2 H 1 1.624 0.020 . 2 . . . . A 7 ARG HG2 . 34476 1 82 . 1 . 1 7 7 ARG HG3 H 1 1.559 0.020 . 2 . . . . A 7 ARG HG3 . 34476 1 83 . 1 . 1 7 7 ARG HD2 H 1 3.171 0.020 . 1 . . . . A 7 ARG HD2 . 34476 1 84 . 1 . 1 7 7 ARG HD3 H 1 3.171 0.020 . 1 . . . . A 7 ARG HD3 . 34476 1 85 . 1 . 1 7 7 ARG CA C 13 56.287 0.3 . 1 . . . . A 7 ARG CA . 34476 1 86 . 1 . 1 7 7 ARG CB C 13 31.043 0.3 . 1 . . . . A 7 ARG CB . 34476 1 87 . 1 . 1 7 7 ARG CG C 13 27.201 0.3 . 1 . . . . A 7 ARG CG . 34476 1 88 . 1 . 1 7 7 ARG CD C 13 43.416 0.3 . 1 . . . . A 7 ARG CD . 34476 1 89 . 1 . 1 8 8 LYS H H 1 8.311 0.020 . 1 . . . . A 8 LYS H . 34476 1 90 . 1 . 1 8 8 LYS HA H 1 4.286 0.020 . 1 . . . . A 8 LYS HA . 34476 1 91 . 1 . 1 8 8 LYS HB2 H 1 1.758 0.020 . 2 . . . . A 8 LYS HB2 . 34476 1 92 . 1 . 1 8 8 LYS HB3 H 1 1.706 0.020 . 2 . . . . A 8 LYS HB3 . 34476 1 93 . 1 . 1 8 8 LYS HG2 H 1 1.402 0.020 . 2 . . . . A 8 LYS HG2 . 34476 1 94 . 1 . 1 8 8 LYS HG3 H 1 1.331 0.020 . 2 . . . . A 8 LYS HG3 . 34476 1 95 . 1 . 1 8 8 LYS HD2 H 1 1.661 0.020 . 1 . . . . A 8 LYS HD2 . 34476 1 96 . 1 . 1 8 8 LYS HD3 H 1 1.661 0.020 . 1 . . . . A 8 LYS HD3 . 34476 1 97 . 1 . 1 8 8 LYS HE2 H 1 2.967 0.020 . 1 . . . . A 8 LYS HE2 . 34476 1 98 . 1 . 1 8 8 LYS HE3 H 1 2.967 0.020 . 1 . . . . A 8 LYS HE3 . 34476 1 99 . 1 . 1 8 8 LYS CA C 13 56.114 0.3 . 1 . . . . A 8 LYS CA . 34476 1 100 . 1 . 1 8 8 LYS CB C 13 33.046 0.3 . 1 . . . . A 8 LYS CB . 34476 1 101 . 1 . 1 8 8 LYS CG C 13 24.813 0.3 . 1 . . . . A 8 LYS CG . 34476 1 102 . 1 . 1 8 8 LYS CD C 13 29.154 0.3 . 1 . . . . A 8 LYS CD . 34476 1 103 . 1 . 1 8 8 LYS CE C 13 42.167 0.3 . 1 . . . . A 8 LYS CE . 34476 1 104 . 1 . 1 9 9 ILE H H 1 8.253 0.020 . 1 . . . . A 9 ILE H . 34476 1 105 . 1 . 1 9 9 ILE HA H 1 4.141 0.020 . 1 . . . . A 9 ILE HA . 34476 1 106 . 1 . 1 9 9 ILE HB H 1 1.808 0.020 . 1 . . . . A 9 ILE HB . 34476 1 107 . 1 . 1 9 9 ILE HG12 H 1 1.456 0.020 . 2 . . . . A 9 ILE HG12 . 34476 1 108 . 1 . 1 9 9 ILE HG13 H 1 1.161 0.020 . 2 . . . . A 9 ILE HG13 . 34476 1 109 . 1 . 1 9 9 ILE HG21 H 1 0.843 0.020 . 1 . . . . A 9 ILE HG21 . 34476 1 110 . 1 . 1 9 9 ILE HG22 H 1 0.843 0.020 . 1 . . . . A 9 ILE HG22 . 34476 1 111 . 1 . 1 9 9 ILE HG23 H 1 0.843 0.020 . 1 . . . . A 9 ILE HG23 . 34476 1 112 . 1 . 1 9 9 ILE HD11 H 1 0.836 0.020 . 1 . . . . A 9 ILE HD11 . 34476 1 113 . 1 . 1 9 9 ILE HD12 H 1 0.836 0.020 . 1 . . . . A 9 ILE HD12 . 34476 1 114 . 1 . 1 9 9 ILE HD13 H 1 0.836 0.020 . 1 . . . . A 9 ILE HD13 . 34476 1 115 . 1 . 1 9 9 ILE CA C 13 60.906 0.3 . 1 . . . . A 9 ILE CA . 34476 1 116 . 1 . 1 9 9 ILE CB C 13 38.684 0.3 . 1 . . . . A 9 ILE CB . 34476 1 117 . 1 . 1 9 9 ILE CG1 C 13 27.315 0.3 . 1 . . . . A 9 ILE CG1 . 34476 1 118 . 1 . 1 9 9 ILE CG2 C 13 17.425 0.3 . 1 . . . . A 9 ILE CG2 . 34476 1 119 . 1 . 1 9 9 ILE CD1 C 13 12.624 0.3 . 1 . . . . A 9 ILE CD1 . 34476 1 120 . 1 . 1 10 10 VAL H H 1 8.307 0.020 . 1 . . . . A 10 VAL H . 34476 1 121 . 1 . 1 10 10 VAL HA H 1 4.086 0.020 . 1 . . . . A 10 VAL HA . 34476 1 122 . 1 . 1 10 10 VAL HB H 1 2.013 0.020 . 1 . . . . A 10 VAL HB . 34476 1 123 . 1 . 1 10 10 VAL HG11 H 1 0.908 0.020 . 2 . . . . A 10 VAL HG11 . 34476 1 124 . 1 . 1 10 10 VAL HG12 H 1 0.908 0.020 . 2 . . . . A 10 VAL HG12 . 34476 1 125 . 1 . 1 10 10 VAL HG13 H 1 0.908 0.020 . 2 . . . . A 10 VAL HG13 . 34476 1 126 . 1 . 1 10 10 VAL HG21 H 1 0.893 0.020 . 2 . . . . A 10 VAL HG21 . 34476 1 127 . 1 . 1 10 10 VAL HG22 H 1 0.893 0.020 . 2 . . . . A 10 VAL HG22 . 34476 1 128 . 1 . 1 10 10 VAL HG23 H 1 0.893 0.020 . 2 . . . . A 10 VAL HG23 . 34476 1 129 . 1 . 1 10 10 VAL CA C 13 62.219 0.3 . 1 . . . . A 10 VAL CA . 34476 1 130 . 1 . 1 10 10 VAL CB C 13 32.828 0.3 . 1 . . . . A 10 VAL CB . 34476 1 131 . 1 . 1 11 11 ARG H H 1 8.392 0.020 . 1 . . . . A 11 ARG H . 34476 1 132 . 1 . 1 11 11 ARG HA H 1 4.310 0.020 . 1 . . . . A 11 ARG HA . 34476 1 133 . 1 . 1 11 11 ARG HB2 H 1 1.800 0.020 . 2 . . . . A 11 ARG HB2 . 34476 1 134 . 1 . 1 11 11 ARG HB3 H 1 1.723 0.020 . 2 . . . . A 11 ARG HB3 . 34476 1 135 . 1 . 1 11 11 ARG HG2 H 1 1.622 0.020 . 2 . . . . A 11 ARG HG2 . 34476 1 136 . 1 . 1 11 11 ARG HG3 H 1 1.583 0.020 . 2 . . . . A 11 ARG HG3 . 34476 1 137 . 1 . 1 11 11 ARG HD2 H 1 3.174 0.020 . 1 . . . . A 11 ARG HD2 . 34476 1 138 . 1 . 1 11 11 ARG HD3 H 1 3.174 0.020 . 1 . . . . A 11 ARG HD3 . 34476 1 139 . 1 . 1 11 11 ARG CA C 13 55.826 0.3 . 1 . . . . A 11 ARG CA . 34476 1 140 . 1 . 1 11 11 ARG CB C 13 31.043 0.3 . 1 . . . . A 11 ARG CB . 34476 1 141 . 1 . 1 11 11 ARG CG C 13 27.122 0.3 . 1 . . . . A 11 ARG CG . 34476 1 142 . 1 . 1 11 11 ARG CD C 13 43.416 0.3 . 1 . . . . A 11 ARG CD . 34476 1 143 . 1 . 1 12 12 ALA H H 1 8.354 0.020 . 1 . . . . A 12 ALA H . 34476 1 144 . 1 . 1 12 12 ALA HA H 1 4.303 0.020 . 1 . . . . A 12 ALA HA . 34476 1 145 . 1 . 1 12 12 ALA HB1 H 1 1.363 0.020 . 1 . . . . A 12 ALA HB1 . 34476 1 146 . 1 . 1 12 12 ALA HB2 H 1 1.363 0.020 . 1 . . . . A 12 ALA HB2 . 34476 1 147 . 1 . 1 12 12 ALA HB3 H 1 1.363 0.020 . 1 . . . . A 12 ALA HB3 . 34476 1 148 . 1 . 1 12 12 ALA CA C 13 52.364 0.3 . 1 . . . . A 12 ALA CA . 34476 1 149 . 1 . 1 12 12 ALA CB C 13 19.179 0.3 . 1 . . . . A 12 ALA CB . 34476 1 150 . 1 . 1 13 13 LEU H H 1 8.241 0.020 . 1 . . . . A 13 LEU H . 34476 1 151 . 1 . 1 13 13 LEU HA H 1 4.272 0.020 . 1 . . . . A 13 LEU HA . 34476 1 152 . 1 . 1 13 13 LEU HB2 H 1 1.654 0.020 . 1 . . . . A 13 LEU HB2 . 34476 1 153 . 1 . 1 13 13 LEU HB3 H 1 1.654 0.020 . 1 . . . . A 13 LEU HB3 . 34476 1 154 . 1 . 1 13 13 LEU HG H 1 1.573 0.020 . 1 . . . . A 13 LEU HG . 34476 1 155 . 1 . 1 13 13 LEU HD11 H 1 0.917 0.020 . 2 . . . . A 13 LEU HD11 . 34476 1 156 . 1 . 1 13 13 LEU HD12 H 1 0.917 0.020 . 2 . . . . A 13 LEU HD12 . 34476 1 157 . 1 . 1 13 13 LEU HD13 H 1 0.917 0.020 . 2 . . . . A 13 LEU HD13 . 34476 1 158 . 1 . 1 13 13 LEU HD21 H 1 0.861 0.020 . 2 . . . . A 13 LEU HD21 . 34476 1 159 . 1 . 1 13 13 LEU HD22 H 1 0.861 0.020 . 2 . . . . A 13 LEU HD22 . 34476 1 160 . 1 . 1 13 13 LEU HD23 H 1 0.861 0.020 . 2 . . . . A 13 LEU HD23 . 34476 1 161 . 1 . 1 13 13 LEU CA C 13 55.055 0.3 . 1 . . . . A 13 LEU CA . 34476 1 162 . 1 . 1 13 13 LEU CB C 13 42.589 0.3 . 1 . . . . A 13 LEU CB . 34476 1 stop_ save_