################################### # 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 30776 _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' . . . 30776 1 2 '2D 1H-1H NOESY' . . . 30776 1 3 '2D 1H-15N HSQC' . . . 30776 1 4 '2D 1H-13C HSQC' . . . 30776 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 HA H 1 3.900 0.001 . 1 . . . . A 1 ILE HA . 30776 1 2 . 1 . 1 1 1 ILE HB H 1 2.010 0.002 . 1 . . . . A 1 ILE HB . 30776 1 3 . 1 . 1 1 1 ILE HG12 H 1 1.545 0.003 . 2 . . . . A 1 ILE HG12 . 30776 1 4 . 1 . 1 1 1 ILE HG13 H 1 1.287 0.007 . 2 . . . . A 1 ILE HG13 . 30776 1 5 . 1 . 1 1 1 ILE HG21 H 1 1.044 0.001 . . . . . . A 1 ILE HG21 . 30776 1 6 . 1 . 1 1 1 ILE HG22 H 1 1.044 0.001 . . . . . . A 1 ILE HG22 . 30776 1 7 . 1 . 1 1 1 ILE HG23 H 1 1.044 0.001 . . . . . . A 1 ILE HG23 . 30776 1 8 . 1 . 1 1 1 ILE HD11 H 1 0.966 0.003 . . . . . . A 1 ILE HD11 . 30776 1 9 . 1 . 1 1 1 ILE HD12 H 1 0.966 0.003 . . . . . . A 1 ILE HD12 . 30776 1 10 . 1 . 1 1 1 ILE HD13 H 1 0.966 0.003 . . . . . . A 1 ILE HD13 . 30776 1 11 . 1 . 1 1 1 ILE CA C 13 63.647 0.000 . 1 . . . . A 1 ILE CA . 30776 1 12 . 1 . 1 1 1 ILE CB C 13 42.106 0.000 . 1 . . . . A 1 ILE CB . 30776 1 13 . 1 . 1 1 1 ILE CG1 C 13 29.501 0.001 . 1 . . . . A 1 ILE CG1 . 30776 1 14 . 1 . 1 1 1 ILE CG2 C 13 19.182 0.000 . 1 . . . . A 1 ILE CG2 . 30776 1 15 . 1 . 1 1 1 ILE CD1 C 13 15.528 0.000 . 1 . . . . A 1 ILE CD1 . 30776 1 16 . 1 . 1 2 2 LEU H H 1 8.352 0.003 . 1 . . . . A 2 LEU H . 30776 1 17 . 1 . 1 2 2 LEU HA H 1 4.382 0.001 . 1 . . . . A 2 LEU HA . 30776 1 18 . 1 . 1 2 2 LEU HB2 H 1 1.707 0.001 . 2 . . . . A 2 LEU HB2 . 30776 1 19 . 1 . 1 2 2 LEU HB3 H 1 1.707 0.001 . 2 . . . . A 2 LEU HB3 . 30776 1 20 . 1 . 1 2 2 LEU HG H 1 1.708 0.002 . 1 . . . . A 2 LEU HG . 30776 1 21 . 1 . 1 2 2 LEU HD11 H 1 0.958 0.001 . . . . . . A 2 LEU HD11 . 30776 1 22 . 1 . 1 2 2 LEU HD12 H 1 0.958 0.001 . . . . . . A 2 LEU HD12 . 30776 1 23 . 1 . 1 2 2 LEU HD13 H 1 0.958 0.001 . . . . . . A 2 LEU HD13 . 30776 1 24 . 1 . 1 2 2 LEU HD21 H 1 0.986 0.004 . . . . . . A 2 LEU HD21 . 30776 1 25 . 1 . 1 2 2 LEU HD22 H 1 0.986 0.004 . . . . . . A 2 LEU HD22 . 30776 1 26 . 1 . 1 2 2 LEU HD23 H 1 0.986 0.004 . . . . . . A 2 LEU HD23 . 30776 1 27 . 1 . 1 2 2 LEU CA C 13 58.987 0.000 . 1 . . . . A 2 LEU CA . 30776 1 28 . 1 . 1 2 2 LEU CB C 13 45.074 0.000 . 1 . . . . A 2 LEU CB . 30776 1 29 . 1 . 1 2 2 LEU CG C 13 29.678 0.000 . 1 . . . . A 2 LEU CG . 30776 1 30 . 1 . 1 2 2 LEU CD1 C 13 26.280 0.000 . 2 . . . . A 2 LEU CD1 . 30776 1 31 . 1 . 1 2 2 LEU CD2 C 13 26.540 0.000 . 2 . . . . A 2 LEU CD2 . 30776 1 32 . 1 . 1 2 2 LEU N N 15 125.264 0.000 . 1 . . . . A 2 LEU N . 30776 1 33 . 1 . 1 3 3 GLY H H 1 8.504 0.003 . 1 . . . . A 3 GLY H . 30776 1 34 . 1 . 1 3 3 GLY HA2 H 1 3.943 0.020 . 2 . . . . A 3 GLY HA2 . 30776 1 35 . 1 . 1 3 3 GLY HA3 H 1 3.918 0.021 . 2 . . . . A 3 GLY HA3 . 30776 1 36 . 1 . 1 3 3 GLY CA C 13 49.187 0.000 . 1 . . . . A 3 GLY CA . 30776 1 37 . 1 . 1 3 3 GLY N N 15 107.837 0.000 . 1 . . . . A 3 GLY N . 30776 1 38 . 1 . 1 4 4 THR H H 1 7.702 0.002 . 1 . . . . A 4 THR H . 30776 1 39 . 1 . 1 4 4 THR HA H 1 4.230 0.003 . 1 . . . . A 4 THR HA . 30776 1 40 . 1 . 1 4 4 THR HB H 1 4.233 0.001 . 1 . . . . A 4 THR HB . 30776 1 41 . 1 . 1 4 4 THR HG21 H 1 1.281 0.001 . . . . . . A 4 THR HG21 . 30776 1 42 . 1 . 1 4 4 THR HG22 H 1 1.281 0.001 . . . . . . A 4 THR HG22 . 30776 1 43 . 1 . 1 4 4 THR HG23 H 1 1.281 0.001 . . . . . . A 4 THR HG23 . 30776 1 44 . 1 . 1 4 4 THR CA C 13 66.485 0.000 . 1 . . . . A 4 THR CA . 30776 1 45 . 1 . 1 4 4 THR CB C 13 72.341 0.000 . 1 . . . . A 4 THR CB . 30776 1 46 . 1 . 1 4 4 THR CG2 C 13 24.210 0.000 . 1 . . . . A 4 THR CG2 . 30776 1 47 . 1 . 1 4 4 THR N N 15 113.752 0.000 . 1 . . . . A 4 THR N . 30776 1 48 . 1 . 1 5 5 ILE H H 1 7.665 0.001 . 1 . . . . A 5 ILE H . 30776 1 49 . 1 . 1 5 5 ILE HA H 1 3.996 0.003 . 1 . . . . A 5 ILE HA . 30776 1 50 . 1 . 1 5 5 ILE HB H 1 2.023 0.003 . 1 . . . . A 5 ILE HB . 30776 1 51 . 1 . 1 5 5 ILE HG12 H 1 1.575 0.002 . 2 . . . . A 5 ILE HG12 . 30776 1 52 . 1 . 1 5 5 ILE HG13 H 1 1.315 0.011 . 2 . . . . A 5 ILE HG13 . 30776 1 53 . 1 . 1 5 5 ILE HG21 H 1 0.967 0.002 . . . . . . A 5 ILE HG21 . 30776 1 54 . 1 . 1 5 5 ILE HG22 H 1 0.967 0.002 . . . . . . A 5 ILE HG22 . 30776 1 55 . 1 . 1 5 5 ILE HG23 H 1 0.967 0.002 . . . . . . A 5 ILE HG23 . 30776 1 56 . 1 . 1 5 5 ILE HD11 H 1 0.908 0.002 . . . . . . A 5 ILE HD11 . 30776 1 57 . 1 . 1 5 5 ILE HD12 H 1 0.908 0.002 . . . . . . A 5 ILE HD12 . 30776 1 58 . 1 . 1 5 5 ILE HD13 H 1 0.908 0.002 . . . . . . A 5 ILE HD13 . 30776 1 59 . 1 . 1 5 5 ILE CA C 13 66.046 0.000 . 1 . . . . A 5 ILE CA . 30776 1 60 . 1 . 1 5 5 ILE CB C 13 40.621 0.000 . 1 . . . . A 5 ILE CB . 30776 1 61 . 1 . 1 5 5 ILE CG1 C 13 30.897 0.002 . 1 . . . . A 5 ILE CG1 . 30776 1 62 . 1 . 1 5 5 ILE CG2 C 13 19.515 0.000 . 1 . . . . A 5 ILE CG2 . 30776 1 63 . 1 . 1 5 5 ILE CD1 C 13 14.685 0.000 . 1 . . . . A 5 ILE CD1 . 30776 1 64 . 1 . 1 5 5 ILE N N 15 120.620 0.000 . 1 . . . . A 5 ILE N . 30776 1 65 . 1 . 1 6 6 LEU H H 1 7.845 0.002 . 1 . . . . A 6 LEU H . 30776 1 66 . 1 . 1 6 6 LEU HA H 1 4.100 0.004 . 1 . . . . A 6 LEU HA . 30776 1 67 . 1 . 1 6 6 LEU HB2 H 1 1.744 0.004 . 2 . . . . A 6 LEU HB2 . 30776 1 68 . 1 . 1 6 6 LEU HB3 H 1 1.579 0.003 . 2 . . . . A 6 LEU HB3 . 30776 1 69 . 1 . 1 6 6 LEU HG H 1 1.744 0.003 . 1 . . . . A 6 LEU HG . 30776 1 70 . 1 . 1 6 6 LEU HD11 H 1 0.907 0.012 . . . . . . A 6 LEU HD11 . 30776 1 71 . 1 . 1 6 6 LEU HD12 H 1 0.907 0.012 . . . . . . A 6 LEU HD12 . 30776 1 72 . 1 . 1 6 6 LEU HD13 H 1 0.907 0.012 . . . . . . A 6 LEU HD13 . 30776 1 73 . 1 . 1 6 6 LEU HD21 H 1 0.921 0.020 . . . . . . A 6 LEU HD21 . 30776 1 74 . 1 . 1 6 6 LEU HD22 H 1 0.921 0.020 . . . . . . A 6 LEU HD22 . 30776 1 75 . 1 . 1 6 6 LEU HD23 H 1 0.921 0.020 . . . . . . A 6 LEU HD23 . 30776 1 76 . 1 . 1 6 6 LEU CA C 13 60.674 0.000 . 1 . . . . A 6 LEU CA . 30776 1 77 . 1 . 1 6 6 LEU CB C 13 44.154 0.009 . 1 . . . . A 6 LEU CB . 30776 1 78 . 1 . 1 6 6 LEU CG C 13 29.551 0.000 . 1 . . . . A 6 LEU CG . 30776 1 79 . 1 . 1 6 6 LEU CD1 C 13 27.520 0.001 . 2 . . . . A 6 LEU CD1 . 30776 1 80 . 1 . 1 6 6 LEU CD2 C 13 25.137 0.000 . 2 . . . . A 6 LEU CD2 . 30776 1 81 . 1 . 1 6 6 LEU N N 15 119.791 0.000 . 1 . . . . A 6 LEU N . 30776 1 82 . 1 . 1 7 7 GLY H H 1 7.978 0.001 . 1 . . . . A 7 GLY H . 30776 1 83 . 1 . 1 7 7 GLY HA2 H 1 3.862 0.006 . 2 . . . . A 7 GLY HA2 . 30776 1 84 . 1 . 1 7 7 GLY HA3 H 1 3.836 0.019 . 2 . . . . A 7 GLY HA3 . 30776 1 85 . 1 . 1 7 7 GLY CA C 13 49.478 0.007 . 1 . . . . A 7 GLY CA . 30776 1 86 . 1 . 1 7 7 GLY N N 15 104.425 0.000 . 1 . . . . A 7 GLY N . 30776 1 87 . 1 . 1 8 8 LEU H H 1 7.740 0.001 . 1 . . . . A 8 LEU H . 30776 1 88 . 1 . 1 8 8 LEU HA H 1 4.250 0.002 . 1 . . . . A 8 LEU HA . 30776 1 89 . 1 . 1 8 8 LEU HB2 H 1 1.905 0.002 . 2 . . . . A 8 LEU HB2 . 30776 1 90 . 1 . 1 8 8 LEU HB3 H 1 1.739 0.004 . 2 . . . . A 8 LEU HB3 . 30776 1 91 . 1 . 1 8 8 LEU HG H 1 1.902 0.006 . 1 . . . . A 8 LEU HG . 30776 1 92 . 1 . 1 8 8 LEU HD11 H 1 0.916 0.017 . . . . . . A 8 LEU HD11 . 30776 1 93 . 1 . 1 8 8 LEU HD12 H 1 0.916 0.017 . . . . . . A 8 LEU HD12 . 30776 1 94 . 1 . 1 8 8 LEU HD13 H 1 0.916 0.017 . . . . . . A 8 LEU HD13 . 30776 1 95 . 1 . 1 8 8 LEU HD21 H 1 0.905 0.007 . . . . . . A 8 LEU HD21 . 30776 1 96 . 1 . 1 8 8 LEU HD22 H 1 0.905 0.007 . . . . . . A 8 LEU HD22 . 30776 1 97 . 1 . 1 8 8 LEU HD23 H 1 0.905 0.007 . . . . . . A 8 LEU HD23 . 30776 1 98 . 1 . 1 8 8 LEU CA C 13 60.156 0.000 . 1 . . . . A 8 LEU CA . 30776 1 99 . 1 . 1 8 8 LEU CB C 13 44.689 0.001 . 1 . . . . A 8 LEU CB . 30776 1 100 . 1 . 1 8 8 LEU CG C 13 29.345 0.000 . 1 . . . . A 8 LEU CG . 30776 1 101 . 1 . 1 8 8 LEU CD1 C 13 26.934 0.000 . 2 . . . . A 8 LEU CD1 . 30776 1 102 . 1 . 1 8 8 LEU CD2 C 13 26.934 0.000 . 2 . . . . A 8 LEU CD2 . 30776 1 103 . 1 . 1 8 8 LEU N N 15 122.446 0.000 . 1 . . . . A 8 LEU N . 30776 1 104 . 1 . 1 9 9 LEU H H 1 8.144 0.001 . 1 . . . . A 9 LEU H . 30776 1 105 . 1 . 1 9 9 LEU HA H 1 4.136 0.003 . 1 . . . . A 9 LEU HA . 30776 1 106 . 1 . 1 9 9 LEU HB2 H 1 1.903 0.002 . 2 . . . . A 9 LEU HB2 . 30776 1 107 . 1 . 1 9 9 LEU HB3 H 1 1.546 0.001 . 2 . . . . A 9 LEU HB3 . 30776 1 108 . 1 . 1 9 9 LEU HG H 1 1.899 0.006 . 1 . . . . A 9 LEU HG . 30776 1 109 . 1 . 1 9 9 LEU HD11 H 1 0.866 0.010 . . . . . . A 9 LEU HD11 . 30776 1 110 . 1 . 1 9 9 LEU HD12 H 1 0.866 0.010 . . . . . . A 9 LEU HD12 . 30776 1 111 . 1 . 1 9 9 LEU HD13 H 1 0.866 0.010 . . . . . . A 9 LEU HD13 . 30776 1 112 . 1 . 1 9 9 LEU HD21 H 1 0.866 0.010 . . . . . . A 9 LEU HD21 . 30776 1 113 . 1 . 1 9 9 LEU HD22 H 1 0.866 0.010 . . . . . . A 9 LEU HD22 . 30776 1 114 . 1 . 1 9 9 LEU HD23 H 1 0.866 0.010 . . . . . . A 9 LEU HD23 . 30776 1 115 . 1 . 1 9 9 LEU CA C 13 60.027 0.000 . 1 . . . . A 9 LEU CA . 30776 1 116 . 1 . 1 9 9 LEU CB C 13 44.444 0.000 . 1 . . . . A 9 LEU CB . 30776 1 117 . 1 . 1 9 9 LEU CG C 13 29.345 0.000 . 1 . . . . A 9 LEU CG . 30776 1 118 . 1 . 1 9 9 LEU CD1 C 13 24.530 0.000 . 2 . . . . A 9 LEU CD1 . 30776 1 119 . 1 . 1 9 9 LEU CD2 C 13 24.530 0.000 . 2 . . . . A 9 LEU CD2 . 30776 1 120 . 1 . 1 9 9 LEU N N 15 118.597 0.000 . 1 . . . . A 9 LEU N . 30776 1 121 . 1 . 1 10 10 LYS H H 1 8.109 0.002 . 1 . . . . A 10 LYS H . 30776 1 122 . 1 . 1 10 10 LYS HA H 1 4.167 0.003 . 1 . . . . A 10 LYS HA . 30776 1 123 . 1 . 1 10 10 LYS HB2 H 1 1.946 0.002 . 2 . . . . A 10 LYS HB2 . 30776 1 124 . 1 . 1 10 10 LYS HB3 H 1 1.947 0.002 . 2 . . . . A 10 LYS HB3 . 30776 1 125 . 1 . 1 10 10 LYS HG2 H 1 1.565 0.008 . 2 . . . . A 10 LYS HG2 . 30776 1 126 . 1 . 1 10 10 LYS HG3 H 1 1.534 0.019 . 2 . . . . A 10 LYS HG3 . 30776 1 127 . 1 . 1 10 10 LYS HD2 H 1 1.714 0.001 . 2 . . . . A 10 LYS HD2 . 30776 1 128 . 1 . 1 10 10 LYS HD3 H 1 1.714 0.001 . 2 . . . . A 10 LYS HD3 . 30776 1 129 . 1 . 1 10 10 LYS HE2 H 1 2.998 0.003 . 2 . . . . A 10 LYS HE2 . 30776 1 130 . 1 . 1 10 10 LYS HE3 H 1 2.998 0.003 . 2 . . . . A 10 LYS HE3 . 30776 1 131 . 1 . 1 10 10 LYS CA C 13 60.579 0.000 . 1 . . . . A 10 LYS CA . 30776 1 132 . 1 . 1 10 10 LYS CB C 13 35.033 0.000 . 1 . . . . A 10 LYS CB . 30776 1 133 . 1 . 1 10 10 LYS CG C 13 27.447 0.000 . 1 . . . . A 10 LYS CG . 30776 1 134 . 1 . 1 10 10 LYS CD C 13 31.637 0.000 . 1 . . . . A 10 LYS CD . 30776 1 135 . 1 . 1 10 10 LYS CE C 13 44.756 0.000 . 1 . . . . A 10 LYS CE . 30776 1 136 . 1 . 1 10 10 LYS N N 15 117.837 0.000 . 1 . . . . A 10 LYS N . 30776 1 137 . 1 . 1 11 11 GLY H H 1 7.931 0.000 . 1 . . . . A 11 GLY H . 30776 1 138 . 1 . 1 11 11 GLY HA2 H 1 4.013 0.004 . 2 . . . . A 11 GLY HA2 . 30776 1 139 . 1 . 1 11 11 GLY HA3 H 1 3.947 0.002 . 2 . . . . A 11 GLY HA3 . 30776 1 140 . 1 . 1 11 11 GLY CA C 13 48.476 0.016 . 1 . . . . A 11 GLY CA . 30776 1 141 . 1 . 1 11 11 GLY N N 15 106.669 0.000 . 1 . . . . A 11 GLY N . 30776 1 142 . 1 . 1 12 12 LEU H H 1 7.880 0.001 . 1 . . . . A 12 LEU H . 30776 1 143 . 1 . 1 12 12 LEU HA H 1 4.313 0.001 . 1 . . . . A 12 LEU HA . 30776 1 144 . 1 . 1 12 12 LEU HB2 H 1 1.800 0.001 . 2 . . . . A 12 LEU HB2 . 30776 1 145 . 1 . 1 12 12 LEU HB3 H 1 1.615 0.002 . 2 . . . . A 12 LEU HB3 . 30776 1 146 . 1 . 1 12 12 LEU HG H 1 1.800 0.002 . 1 . . . . A 12 LEU HG . 30776 1 147 . 1 . 1 12 12 LEU HD11 H 1 0.905 0.015 . . . . . . A 12 LEU HD11 . 30776 1 148 . 1 . 1 12 12 LEU HD12 H 1 0.905 0.015 . . . . . . A 12 LEU HD12 . 30776 1 149 . 1 . 1 12 12 LEU HD13 H 1 0.905 0.015 . . . . . . A 12 LEU HD13 . 30776 1 150 . 1 . 1 12 12 LEU HD21 H 1 0.898 0.009 . . . . . . A 12 LEU HD21 . 30776 1 151 . 1 . 1 12 12 LEU HD22 H 1 0.898 0.009 . . . . . . A 12 LEU HD22 . 30776 1 152 . 1 . 1 12 12 LEU HD23 H 1 0.898 0.009 . . . . . . A 12 LEU HD23 . 30776 1 153 . 1 . 1 12 12 LEU CA C 13 58.152 0.000 . 1 . . . . A 12 LEU CA . 30776 1 154 . 1 . 1 12 12 LEU CB C 13 45.257 0.014 . 1 . . . . A 12 LEU CB . 30776 1 155 . 1 . 1 12 12 LEU CG C 13 29.406 0.000 . 1 . . . . A 12 LEU CG . 30776 1 156 . 1 . 1 12 12 LEU CD1 C 13 27.521 0.000 . 2 . . . . A 12 LEU CD1 . 30776 1 157 . 1 . 1 12 12 LEU CD2 C 13 27.520 0.000 . 2 . . . . A 12 LEU CD2 . 30776 1 158 . 1 . 1 12 12 LEU N N 15 121.165 0.000 . 1 . . . . A 12 LEU N . 30776 1 stop_ save_