################################### # 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 20017 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _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 NOESY' . . . 20017 1 2 '2D 1H-1H TOCSY' . . . 20017 1 3 '2D 1H-13C HSQC' . . . 20017 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XEASY . . 20017 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 PHE HA H 1 4.362 0.01 . 1 . . . . 1 PHE HA . 20017 1 2 . 1 1 1 1 PHE HB2 H 1 3.167 0.01 . 2 . . . . 1 PHE HB2 . 20017 1 3 . 1 1 1 1 PHE HB3 H 1 3.153 0.01 . 2 . . . . 1 PHE HB3 . 20017 1 4 . 1 1 1 1 PHE HD1 H 1 7.353 0.01 . 3 . . . . 1 PHE QD . 20017 1 5 . 1 1 1 1 PHE HD2 H 1 7.353 0.01 . 3 . . . . 1 PHE QD . 20017 1 6 . 1 1 1 1 PHE HE1 H 1 7.343 0.01 . 3 . . . . 1 PHE QE . 20017 1 7 . 1 1 1 1 PHE HE2 H 1 7.343 0.01 . 3 . . . . 1 PHE QE . 20017 1 8 . 1 1 1 1 PHE HZ H 1 7.272 0.01 . 1 . . . . 1 PHE HZ . 20017 1 9 . 1 1 1 1 PHE CB C 13 40.252 0.10 . 1 . . . . 1 PHE CB . 20017 1 10 . 1 1 1 1 PHE CD1 C 13 132.200 0.10 . 3 . . . . 1 PHE CD1 . 20017 1 11 . 1 1 1 1 PHE CD2 C 13 132.200 0.10 . 3 . . . . 1 PHE CD2 . 20017 1 12 . 1 1 1 1 PHE CE1 C 13 131.538 0.10 . 3 . . . . 1 PHE CE1 . 20017 1 13 . 1 1 1 1 PHE CE2 C 13 131.538 0.10 . 3 . . . . 1 PHE CE2 . 20017 1 14 . 1 1 2 2 LEU HA H 1 4.483 0.01 . 1 . . . . 2 LEU HA . 20017 1 15 . 1 1 2 2 LEU HB2 H 1 1.651 0.01 . 2 . . . . 2 LEU HB2 . 20017 1 16 . 1 1 2 2 LEU HB3 H 1 1.574 0.01 . 2 . . . . 2 LEU HB3 . 20017 1 17 . 1 1 2 2 LEU HD11 H 1 0.931 0.01 . 2 . . . . 2 LEU MD1 . 20017 1 18 . 1 1 2 2 LEU HD12 H 1 0.931 0.01 . 2 . . . . 2 LEU MD1 . 20017 1 19 . 1 1 2 2 LEU HD13 H 1 0.931 0.01 . 2 . . . . 2 LEU MD1 . 20017 1 20 . 1 1 2 2 LEU HD21 H 1 0.890 0.01 . 2 . . . . 2 LEU MD2 . 20017 1 21 . 1 1 2 2 LEU HD22 H 1 0.890 0.01 . 2 . . . . 2 LEU MD2 . 20017 1 22 . 1 1 2 2 LEU HD23 H 1 0.890 0.01 . 2 . . . . 2 LEU MD2 . 20017 1 23 . 1 1 2 2 LEU HG H 1 1.482 0.01 . 1 . . . . 2 LEU HG . 20017 1 24 . 1 1 2 2 LEU CA C 13 54.215 0.10 . 1 . . . . 2 LEU CA . 20017 1 25 . 1 1 2 2 LEU CB C 13 41.960 0.10 . 1 . . . . 2 LEU CB . 20017 1 26 . 1 1 2 2 LEU CD1 C 13 24.100 0.10 . 5 . . . . 2 LEU CD1 . 20017 1 27 . 1 1 2 2 LEU CD2 C 13 25.951 0.10 . 2 . . . . 2 LEU CD2 . 20017 1 28 . 1 1 2 2 LEU CG C 13 26.711 0.10 . 1 . . . . 2 LEU CG . 20017 1 29 . 1 1 3 3 PRO HA H 1 4.334 0.01 . 1 . . . . 3 PRO HA . 20017 1 30 . 1 1 3 3 PRO HB2 H 1 2.309 0.01 . 2 . . . . 3 PRO HB2 . 20017 1 31 . 1 1 3 3 PRO HB3 H 1 2.020 0.01 . 2 . . . . 3 PRO HB3 . 20017 1 32 . 1 1 3 3 PRO HD2 H 1 3.953 0.01 . 2 . . . . 3 PRO HD2 . 20017 1 33 . 1 1 3 3 PRO HD3 H 1 3.771 0.01 . 2 . . . . 3 PRO HD3 . 20017 1 34 . 1 1 3 3 PRO HG2 H 1 2.158 0.01 . 2 . . . . 3 PRO HG2 . 20017 1 35 . 1 1 3 3 PRO HG3 H 1 2.043 0.01 . 2 . . . . 3 PRO HG3 . 20017 1 36 . 1 1 3 3 PRO CA C 13 65.463 0.10 . 1 . . . . 3 PRO CA . 20017 1 37 . 1 1 3 3 PRO CB C 13 31.539 0.10 . 1 . . . . 3 PRO CB . 20017 1 38 . 1 1 3 3 PRO CD C 13 50.701 0.10 . 1 . . . . 3 PRO CD . 20017 1 39 . 1 1 3 3 PRO CG C 13 27.642 0.10 . 1 . . . . 3 PRO CG . 20017 1 40 . 1 1 4 4 ILE H H 1 8.048 0.01 . 1 . . . . 4 ILE HN . 20017 1 41 . 1 1 4 4 ILE HA H 1 4.012 0.01 . 1 . . . . 4 ILE HA . 20017 1 42 . 1 1 4 4 ILE HB H 1 2.095 0.01 . 1 . . . . 4 ILE HB . 20017 1 43 . 1 1 4 4 ILE HD11 H 1 0.956 0.01 . 1 . . . . 4 ILE MD . 20017 1 44 . 1 1 4 4 ILE HD12 H 1 0.956 0.01 . 1 . . . . 4 ILE MD . 20017 1 45 . 1 1 4 4 ILE HD13 H 1 0.956 0.01 . 1 . . . . 4 ILE MD . 20017 1 46 . 1 1 4 4 ILE HG12 H 1 1.627 0.01 . 2 . . . . 4 ILE HG12 . 20017 1 47 . 1 1 4 4 ILE HG13 H 1 1.273 0.01 . 2 . . . . 4 ILE HG13 . 20017 1 48 . 1 1 4 4 ILE HG21 H 1 0.946 0.01 . 1 . . . . 4 ILE MG . 20017 1 49 . 1 1 4 4 ILE HG22 H 1 0.946 0.01 . 1 . . . . 4 ILE MG . 20017 1 50 . 1 1 4 4 ILE HG23 H 1 0.946 0.01 . 1 . . . . 4 ILE MG . 20017 1 51 . 1 1 4 4 ILE CA C 13 62.822 0.10 . 1 . . . . 4 ILE CA . 20017 1 52 . 1 1 4 4 ILE CB C 13 37.380 0.10 . 1 . . . . 4 ILE CB . 20017 1 53 . 1 1 4 4 ILE CD1 C 13 13.448 0.10 . 1 . . . . 4 ILE CD1 . 20017 1 54 . 1 1 4 4 ILE CG1 C 13 28.916 0.10 . 1 . . . . 4 ILE CG1 . 20017 1 55 . 1 1 4 4 ILE CG2 C 13 17.667 0.10 . 1 . . . . 4 ILE CG2 . 20017 1 56 . 1 1 5 5 VAL H H 1 7.440 0.01 . 1 . . . . 5 VAL HN . 20017 1 57 . 1 1 5 5 VAL HA H 1 3.665 0.01 . 1 . . . . 5 VAL HA . 20017 1 58 . 1 1 5 5 VAL HB H 1 2.255 0.01 . 1 . . . . 5 VAL HB . 20017 1 59 . 1 1 5 5 VAL HG11 H 1 0.942 0.01 . 1 . . . . 5 VAL MG1 . 20017 1 60 . 1 1 5 5 VAL HG12 H 1 0.942 0.01 . 1 . . . . 5 VAL MG1 . 20017 1 61 . 1 1 5 5 VAL HG13 H 1 0.942 0.01 . 1 . . . . 5 VAL MG1 . 20017 1 62 . 1 1 5 5 VAL HG21 H 1 1.066 0.01 . 1 . . . . 5 VAL MG2 . 20017 1 63 . 1 1 5 5 VAL HG22 H 1 1.066 0.01 . 1 . . . . 5 VAL MG2 . 20017 1 64 . 1 1 5 5 VAL HG23 H 1 1.066 0.01 . 1 . . . . 5 VAL MG2 . 20017 1 65 . 1 1 5 5 VAL CA C 13 66.155 0.10 . 1 . . . . 5 VAL CA . 20017 1 66 . 1 1 5 5 VAL CB C 13 31.904 0.10 . 1 . . . . 5 VAL CB . 20017 1 67 . 1 1 5 5 VAL CG1 C 13 21.628 0.10 . 1 . . . . 5 VAL CG1 . 20017 1 68 . 1 1 5 5 VAL CG2 C 13 23.063 0.10 . 1 . . . . 5 VAL CG2 . 20017 1 69 . 1 1 6 6 THR H H 1 8.205 0.01 . 1 . . . . 6 THR HN . 20017 1 70 . 1 1 6 6 THR HA H 1 3.866 0.01 . 1 . . . . 6 THR HA . 20017 1 71 . 1 1 6 6 THR HB H 1 4.246 0.01 . 1 . . . . 6 THR HB . 20017 1 72 . 1 1 6 6 THR HG21 H 1 1.279 0.01 . 1 . . . . 6 THR MG . 20017 1 73 . 1 1 6 6 THR HG22 H 1 1.279 0.01 . 1 . . . . 6 THR MG . 20017 1 74 . 1 1 6 6 THR HG23 H 1 1.279 0.01 . 1 . . . . 6 THR MG . 20017 1 75 . 1 1 6 6 THR CA C 13 66.463 0.10 . 1 . . . . 6 THR CA . 20017 1 76 . 1 1 6 6 THR CB C 13 68.295 0.10 . 1 . . . . 6 THR CB . 20017 1 77 . 1 1 6 6 THR CG2 C 13 21.997 0.10 . 1 . . . . 6 THR CG2 . 20017 1 78 . 1 1 7 7 ASN H H 1 8.249 0.01 . 1 . . . . 7 ASN HN . 20017 1 79 . 1 1 7 7 ASN HA H 1 4.491 0.01 . 1 . . . . 7 ASN HA . 20017 1 80 . 1 1 7 7 ASN HB2 H 1 2.929 0.01 . 2 . . . . 7 ASN HB2 . 20017 1 81 . 1 1 7 7 ASN HB3 H 1 2.854 0.01 . 2 . . . . 7 ASN HB3 . 20017 1 82 . 1 1 7 7 ASN HD21 H 1 7.568 0.01 . 2 . . . . 7 ASN HD21 . 20017 1 83 . 1 1 7 7 ASN HD22 H 1 6.828 0.01 . 2 . . . . 7 ASN HD22 . 20017 1 84 . 1 1 7 7 ASN CA C 13 56.110 0.10 . 1 . . . . 7 ASN CA . 20017 1 85 . 1 1 7 7 ASN CB C 13 38.222 0.10 . 1 . . . . 7 ASN CB . 20017 1 86 . 1 1 8 8 LEU H H 1 7.899 0.01 . 1 . . . . 8 LEU HN . 20017 1 87 . 1 1 8 8 LEU HA H 1 4.220 0.01 . 1 . . . . 8 LEU HA . 20017 1 88 . 1 1 8 8 LEU HB2 H 1 1.926 0.01 . 2 . . . . 8 LEU HB2 . 20017 1 89 . 1 1 8 8 LEU HB3 H 1 1.668 0.01 . 2 . . . . 8 LEU HB3 . 20017 1 90 . 1 1 8 8 LEU HD11 H 1 0.947 0.01 . 2 . . . . 8 LEU MD1 . 20017 1 91 . 1 1 8 8 LEU HD12 H 1 0.947 0.01 . 2 . . . . 8 LEU MD1 . 20017 1 92 . 1 1 8 8 LEU HD13 H 1 0.947 0.01 . 2 . . . . 8 LEU MD1 . 20017 1 93 . 1 1 8 8 LEU HD21 H 1 0.932 0.01 . 2 . . . . 8 LEU MD2 . 20017 1 94 . 1 1 8 8 LEU HD22 H 1 0.932 0.01 . 2 . . . . 8 LEU MD2 . 20017 1 95 . 1 1 8 8 LEU HD23 H 1 0.932 0.01 . 2 . . . . 8 LEU MD2 . 20017 1 96 . 1 1 8 8 LEU HG H 1 1.831 0.01 . 1 . . . . 8 LEU HG . 20017 1 97 . 1 1 8 8 LEU CA C 13 57.795 0.10 . 1 . . . . 8 LEU CA . 20017 1 98 . 1 1 8 8 LEU CB C 13 42.386 0.10 . 1 . . . . 8 LEU CB . 20017 1 99 . 1 1 8 8 LEU CD1 C 13 25.236 0.10 . 2 . . . . 8 LEU CD1 . 20017 1 100 . 1 1 8 8 LEU CD2 C 13 25.705 0.10 . 2 . . . . 8 LEU CD2 . 20017 1 101 . 1 1 8 8 LEU CG C 13 27.093 0.10 . 1 . . . . 8 LEU CG . 20017 1 102 . 1 1 9 9 LEU H H 1 8.191 0.01 . 1 . . . . 9 LEU HN . 20017 1 103 . 1 1 9 9 LEU HA H 1 4.152 0.01 . 1 . . . . 9 LEU HA . 20017 1 104 . 1 1 9 9 LEU HB2 H 1 1.857 0.01 . 2 . . . . 9 LEU HB2 . 20017 1 105 . 1 1 9 9 LEU HB3 H 1 1.580 0.01 . 2 . . . . 9 LEU HB3 . 20017 1 106 . 1 1 9 9 LEU HD11 H 1 0.873 0.01 . 2 . . . . 9 LEU MD1 . 20017 1 107 . 1 1 9 9 LEU HD12 H 1 0.873 0.01 . 2 . . . . 9 LEU MD1 . 20017 1 108 . 1 1 9 9 LEU HD13 H 1 0.873 0.01 . 2 . . . . 9 LEU MD1 . 20017 1 109 . 1 1 9 9 LEU HD21 H 1 0.859 0.01 . 2 . . . . 9 LEU MD2 . 20017 1 110 . 1 1 9 9 LEU HD22 H 1 0.859 0.01 . 2 . . . . 9 LEU MD2 . 20017 1 111 . 1 1 9 9 LEU HD23 H 1 0.859 0.01 . 2 . . . . 9 LEU MD2 . 20017 1 112 . 1 1 9 9 LEU HG H 1 1.847 0.01 . 1 . . . . 9 LEU HG . 20017 1 113 . 1 1 9 9 LEU CA C 13 57.108 0.10 . 1 . . . . 9 LEU CA . 20017 1 114 . 1 1 9 9 LEU CB C 13 41.843 0.10 . 1 . . . . 9 LEU CB . 20017 1 115 . 1 1 9 9 LEU CD1 C 13 25.714 0.10 . 2 . . . . 9 LEU CD1 . 20017 1 116 . 1 1 9 9 LEU CD2 C 13 23.272 0.10 . 5 . . . . 9 LEU CD2 . 20017 1 117 . 1 1 9 9 LEU CG C 13 27.094 0.10 . 1 . . . . 9 LEU CG . 20017 1 118 . 1 1 10 10 SER H H 1 8.097 0.01 . 1 . . . . 10 SER HN . 20017 1 119 . 1 1 10 10 SER HA H 1 4.168 0.01 . 1 . . . . 10 SER HA . 20017 1 120 . 1 1 10 10 SER HB2 H 1 4.022 0.01 . 2 . . . . 10 SER QB . 20017 1 121 . 1 1 10 10 SER HB3 H 1 4.022 0.01 . 2 . . . . 10 SER QB . 20017 1 122 . 1 1 10 10 SER CA C 13 61.358 0.10 . 1 . . . . 10 SER CA . 20017 1 123 . 1 1 10 10 SER CB C 13 64.002 0.10 . 1 . . . . 10 SER CB . 20017 1 124 . 1 1 11 11 GLY H H 1 7.943 0.01 . 1 . . . . 11 GLY HN . 20017 1 125 . 1 1 11 11 GLY HA2 H 1 3.997 0.01 . 2 . . . . 11 GLY HA2 . 20017 1 126 . 1 1 11 11 GLY HA3 H 1 3.972 0.01 . 2 . . . . 11 GLY HA3 . 20017 1 127 . 1 1 11 11 GLY CA C 13 46.169 0.10 . 1 . . . . 11 GLY CA . 20017 1 128 . 1 1 12 12 LEU H H 1 7.750 0.01 . 1 . . . . 12 LEU HN . 20017 1 129 . 1 1 12 12 LEU HA H 1 4.309 0.01 . 1 . . . . 12 LEU HA . 20017 1 130 . 1 1 12 12 LEU HB2 H 1 1.808 0.01 . 2 . . . . 12 LEU HB2 . 20017 1 131 . 1 1 12 12 LEU HB3 H 1 1.632 0.01 . 2 . . . . 12 LEU HB3 . 20017 1 132 . 1 1 12 12 LEU HD11 H 1 0.928 0.01 . 2 . . . . 12 LEU MD1 . 20017 1 133 . 1 1 12 12 LEU HD12 H 1 0.928 0.01 . 2 . . . . 12 LEU MD1 . 20017 1 134 . 1 1 12 12 LEU HD13 H 1 0.928 0.01 . 2 . . . . 12 LEU MD1 . 20017 1 135 . 1 1 12 12 LEU HD21 H 1 0.913 0.01 . 2 . . . . 12 LEU MD2 . 20017 1 136 . 1 1 12 12 LEU HD22 H 1 0.913 0.01 . 2 . . . . 12 LEU MD2 . 20017 1 137 . 1 1 12 12 LEU HD23 H 1 0.913 0.01 . 2 . . . . 12 LEU MD2 . 20017 1 138 . 1 1 12 12 LEU HG H 1 1.759 0.01 . 1 . . . . 12 LEU HG . 20017 1 139 . 1 1 12 12 LEU CA C 13 56.681 0.10 . 1 . . . . 12 LEU CA . 20017 1 140 . 1 1 12 12 LEU CB C 13 43.313 0.10 . 1 . . . . 12 LEU CB . 20017 1 141 . 1 1 12 12 LEU CD1 C 13 23.600 0.10 . 5 . . . . 12 LEU CD1 . 20017 1 142 . 1 1 12 12 LEU CD2 C 13 23.900 0.10 . 5 . . . . 12 LEU CD2 . 20017 1 143 . 1 1 12 12 LEU CG C 13 27.110 0.10 . 5 . . . . 12 LEU CG . 20017 1 144 . 1 1 13 13 LEU H H 1 7.823 0.01 . 1 . . . . 13 LEU HN . 20017 1 145 . 1 1 13 13 LEU HA H 1 4.305 0.01 . 1 . . . . 13 LEU HA . 20017 1 146 . 1 1 13 13 LEU HB2 H 1 1.754 0.01 . 2 . . . . 13 LEU HB2 . 20017 1 147 . 1 1 13 13 LEU HB3 H 1 1.642 0.01 . 2 . . . . 13 LEU HB3 . 20017 1 148 . 1 1 13 13 LEU HD11 H 1 0.940 0.01 . 2 . . . . 13 LEU MD1 . 20017 1 149 . 1 1 13 13 LEU HD12 H 1 0.940 0.01 . 2 . . . . 13 LEU MD1 . 20017 1 150 . 1 1 13 13 LEU HD13 H 1 0.940 0.01 . 2 . . . . 13 LEU MD1 . 20017 1 151 . 1 1 13 13 LEU HD21 H 1 0.894 0.01 . 2 . . . . 13 LEU MD2 . 20017 1 152 . 1 1 13 13 LEU HD22 H 1 0.894 0.01 . 2 . . . . 13 LEU MD2 . 20017 1 153 . 1 1 13 13 LEU HD23 H 1 0.894 0.01 . 2 . . . . 13 LEU MD2 . 20017 1 154 . 1 1 13 13 LEU HG H 1 1.727 0.01 . 1 . . . . 13 LEU HG . 20017 1 155 . 1 1 13 13 LEU CA C 13 54.949 0.10 . 1 . . . . 13 LEU CA . 20017 1 156 . 1 1 13 13 LEU CB C 13 42.525 0.10 . 1 . . . . 13 LEU CB . 20017 1 157 . 1 1 13 13 LEU CD1 C 13 25.235 0.10 . 5 . . . . 13 LEU CD1 . 20017 1 158 . 1 1 13 13 LEU CD2 C 13 23.039 0.10 . 2 . . . . 13 LEU CD2 . 20017 1 159 . 1 1 13 13 LEU CG C 13 27.219 0.10 . 5 . . . . 13 LEU CG . 20017 1 160 . 1 1 14 14 NH2 HN1 H 1 7.126 0.01 . 1 . . . . 13 LEU HT1 . 20017 1 161 . 1 1 14 14 NH2 HN2 H 1 6.921 0.01 . 1 . . . . 13 LEU HT2 . 20017 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 26 20017 1 1 116 20017 1 1 141 20017 1 1 142 20017 1 1 157 20017 1 2 143 20017 1 2 159 20017 1 stop_ save_