################################### # 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 26036 _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-1H TOCSY' 1 $sample_1 isotropic 26036 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 26036 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 LYS HA H 1 3.976 0.002 . 1 . . . A 1 LYS HA . 26036 1 2 . 1 1 1 1 LYS HB2 H 1 1.832 0.004 . 2 . . . A 1 LYS HB2 . 26036 1 3 . 1 1 1 1 LYS HB3 H 1 1.832 0.004 . 2 . . . A 1 LYS HB3 . 26036 1 4 . 1 1 2 2 TYR H H 1 8.705 0.003 . 1 . . . A 2 TYR H . 26036 1 5 . 1 1 2 2 TYR HA H 1 4.587 0.002 . 1 . . . A 2 TYR HA . 26036 1 6 . 1 1 2 2 TYR HD1 H 1 7.119 0.004 . 3 . . . A 2 TYR HD1 . 26036 1 7 . 1 1 2 2 TYR HD2 H 1 7.119 0.004 . 3 . . . A 2 TYR HD2 . 26036 1 8 . 1 1 2 2 TYR HE1 H 1 6.830 0.002 . 3 . . . A 2 TYR HE1 . 26036 1 9 . 1 1 2 2 TYR HE2 H 1 6.830 0.002 . 3 . . . A 2 TYR HE2 . 26036 1 10 . 1 1 3 3 GLU H H 1 8.361 0.002 . 1 . . . A 3 GLU H . 26036 1 11 . 1 1 3 3 GLU HA H 1 4.348 0.002 . 1 . . . A 3 GLU HA . 26036 1 12 . 1 1 3 3 GLU HB2 H 1 1.974 0.003 . 1 . . . A 3 GLU HB2 . 26036 1 13 . 1 1 3 3 GLU HB3 H 1 1.854 0.002 . 1 . . . A 3 GLU HB3 . 26036 1 14 . 1 1 3 3 GLU HG2 H 1 2.272 0.001 . 2 . . . A 3 GLU HG2 . 26036 1 15 . 1 1 3 3 GLU HG3 H 1 2.272 0.001 . 2 . . . A 3 GLU HG3 . 26036 1 16 . 1 1 4 4 ILE H H 1 8.281 0.002 . 1 . . . A 4 ILE H . 26036 1 17 . 1 1 4 4 ILE HA H 1 4.160 0.002 . 1 . . . A 4 ILE HA . 26036 1 18 . 1 1 4 4 ILE HB H 1 1.853 0.001 . 1 . . . A 4 ILE HB . 26036 1 19 . 1 1 4 4 ILE HG12 H 1 1.493 0.002 . 1 . . . A 4 ILE HG12 . 26036 1 20 . 1 1 4 4 ILE HG13 H 1 1.204 0.002 . 1 . . . A 4 ILE HG13 . 26036 1 21 . 1 1 4 4 ILE HG21 H 1 0.912 0.002 . 4 . . . A 4 ILE HG21 . 26036 1 22 . 1 1 4 4 ILE HG22 H 1 0.912 0.002 . 4 . . . A 4 ILE HG22 . 26036 1 23 . 1 1 4 4 ILE HG23 H 1 0.912 0.002 . 4 . . . A 4 ILE HG23 . 26036 1 24 . 1 1 4 4 ILE HD11 H 1 0.862 0.002 . 4 . . . A 4 ILE HD11 . 26036 1 25 . 1 1 4 4 ILE HD12 H 1 0.862 0.002 . 4 . . . A 4 ILE HD12 . 26036 1 26 . 1 1 4 4 ILE HD13 H 1 0.862 0.002 . 4 . . . A 4 ILE HD13 . 26036 1 27 . 1 1 5 5 THR H H 1 8.251 0.001 . 1 . . . A 5 THR H . 26036 1 28 . 1 1 5 5 THR HA H 1 4.416 0.002 . 1 . . . A 5 THR HA . 26036 1 29 . 1 1 5 5 THR HB H 1 4.247 0.002 . 1 . . . A 5 THR HB . 26036 1 30 . 1 1 5 5 THR HG21 H 1 1.195 0.001 . 1 . . . A 5 THR HG21 . 26036 1 31 . 1 1 5 5 THR HG22 H 1 1.195 0.001 . 1 . . . A 5 THR HG22 . 26036 1 32 . 1 1 5 5 THR HG23 H 1 1.195 0.001 . 1 . . . A 5 THR HG23 . 26036 1 33 . 1 1 6 6 THR H H 1 8.157 0.001 . 1 . . . A 6 THR H . 26036 1 34 . 1 1 6 6 THR HA H 1 4.337 0.002 . 1 . . . A 6 THR HA . 26036 1 35 . 1 1 6 6 THR HB H 1 4.191 0.002 . 1 . . . A 6 THR HB . 26036 1 36 . 1 1 6 6 THR HG21 H 1 1.141 0.001 . 1 . . . A 6 THR HG21 . 26036 1 37 . 1 1 6 6 THR HG22 H 1 1.141 0.001 . 1 . . . A 6 THR HG22 . 26036 1 38 . 1 1 6 6 THR HG23 H 1 1.141 0.001 . 1 . . . A 6 THR HG23 . 26036 1 39 . 1 1 7 7 ILE H H 1 8.071 0.002 . 1 . . . A 7 ILE H . 26036 1 40 . 1 1 7 7 ILE HA H 1 4.097 0.002 . 1 . . . A 7 ILE HA . 26036 1 41 . 1 1 7 7 ILE HB H 1 1.807 0.001 . 1 . . . A 7 ILE HB . 26036 1 42 . 1 1 7 7 ILE HG12 H 1 1.372 0.002 . 1 . . . A 7 ILE HG12 . 26036 1 43 . 1 1 7 7 ILE HG13 H 1 1.142 0.002 . 1 . . . A 7 ILE HG13 . 26036 1 44 . 1 1 7 7 ILE HG21 H 1 0.909 0.002 . 4 . . . A 7 ILE HG21 . 26036 1 45 . 1 1 7 7 ILE HG22 H 1 0.909 0.002 . 4 . . . A 7 ILE HG22 . 26036 1 46 . 1 1 7 7 ILE HG23 H 1 0.909 0.002 . 4 . . . A 7 ILE HG23 . 26036 1 47 . 1 1 7 7 ILE HD11 H 1 0.834 0.002 . 4 . . . A 7 ILE HD11 . 26036 1 48 . 1 1 7 7 ILE HD12 H 1 0.834 0.002 . 4 . . . A 7 ILE HD12 . 26036 1 49 . 1 1 7 7 ILE HD13 H 1 0.834 0.002 . 4 . . . A 7 ILE HD13 . 26036 1 50 . 1 1 8 8 HIS H H 1 8.574 0.001 . 1 . . . A 8 HIS H . 26036 1 51 . 1 1 8 8 HIS HA H 1 4.718 0.001 . 1 . . . A 8 HIS HA . 26036 1 52 . 1 1 8 8 HIS HB2 H 1 3.247 0.001 . 1 . . . A 8 HIS HB2 . 26036 1 53 . 1 1 8 8 HIS HB3 H 1 3.140 0.002 . 1 . . . A 8 HIS HB3 . 26036 1 54 . 1 1 9 9 ASN H H 1 8.446 0.001 . 1 . . . A 9 ASN H . 26036 1 55 . 1 1 9 9 ASN HA H 1 4.633 0.003 . 1 . . . A 9 ASN HA . 26036 1 56 . 1 1 9 9 ASN HB2 H 1 2.735 0.001 . 2 . . . A 9 ASN HB2 . 26036 1 57 . 1 1 9 9 ASN HB3 H 1 2.735 0.001 . 2 . . . A 9 ASN HB3 . 26036 1 58 . 1 1 9 9 ASN HD21 H 1 6.921 0.002 . 1 . . . A 9 ASN HD21 . 26036 1 59 . 1 1 9 9 ASN HD22 H 1 7.599 0.002 . 1 . . . A 9 ASN HD22 . 26036 1 60 . 1 1 10 10 LEU H H 1 8.225 0.002 . 1 . . . A 10 LEU H . 26036 1 61 . 1 1 10 10 LEU HA H 1 4.243 0.003 . 1 . . . A 10 LEU HA . 26036 1 62 . 1 1 10 10 LEU HB2 H 1 1.513 0.002 . 2 . . . A 10 LEU HB2 . 26036 1 63 . 1 1 10 10 LEU HB3 H 1 1.513 0.002 . 2 . . . A 10 LEU HB3 . 26036 1 64 . 1 1 10 10 LEU HG H 1 1.485 0.003 . 1 . . . A 10 LEU HG . 26036 1 65 . 1 1 10 10 LEU HD11 H 1 0.881 0.001 . 2 . . . A 10 LEU HD11 . 26036 1 66 . 1 1 10 10 LEU HD12 H 1 0.881 0.001 . 2 . . . A 10 LEU HD12 . 26036 1 67 . 1 1 10 10 LEU HD13 H 1 0.881 0.001 . 2 . . . A 10 LEU HD13 . 26036 1 68 . 1 1 10 10 LEU HD21 H 1 0.881 0.001 . 2 . . . A 10 LEU HD21 . 26036 1 69 . 1 1 10 10 LEU HD22 H 1 0.881 0.001 . 2 . . . A 10 LEU HD22 . 26036 1 70 . 1 1 10 10 LEU HD23 H 1 0.881 0.001 . 2 . . . A 10 LEU HD23 . 26036 1 71 . 1 1 11 11 PHE H H 1 8.195 0.002 . 1 . . . A 11 PHE H . 26036 1 72 . 1 1 11 11 PHE HA H 1 4.586 0.002 . 1 . . . A 11 PHE HA . 26036 1 73 . 1 1 11 11 PHE HB2 H 1 3.138 0.002 . 1 . . . A 11 PHE HB2 . 26036 1 74 . 1 1 11 11 PHE HB3 H 1 3.038 0.002 . 1 . . . A 11 PHE HB3 . 26036 1 75 . 1 1 11 11 PHE HD1 H 1 7.245 0.002 . 3 . . . A 11 PHE HD1 . 26036 1 76 . 1 1 11 11 PHE HD2 H 1 7.245 0.002 . 3 . . . A 11 PHE HD2 . 26036 1 77 . 1 1 11 11 PHE HE1 H 1 7.346 0.002 . 3 . . . A 11 PHE HE1 . 26036 1 78 . 1 1 11 11 PHE HE2 H 1 7.346 0.002 . 3 . . . A 11 PHE HE2 . 26036 1 79 . 1 1 12 12 ARG H H 1 8.055 0.003 . 1 . . . A 12 ARG H . 26036 1 80 . 1 1 12 12 ARG HA H 1 4.251 0.011 . 1 . . . A 12 ARG HA . 26036 1 81 . 1 1 12 12 ARG HB2 H 1 1.779 0.005 . 1 . . . A 12 ARG HB2 . 26036 1 82 . 1 1 12 12 ARG HB3 H 1 1.711 0.002 . 1 . . . A 12 ARG HB3 . 26036 1 83 . 1 1 12 12 ARG HG2 H 1 1.555 0.003 . 2 . . . A 12 ARG HG2 . 26036 1 84 . 1 1 12 12 ARG HG3 H 1 1.555 0.003 . 2 . . . A 12 ARG HG3 . 26036 1 85 . 1 1 12 12 ARG HD2 H 1 3.156 0.003 . 2 . . . A 12 ARG HD2 . 26036 1 86 . 1 1 12 12 ARG HD3 H 1 3.156 0.003 . 2 . . . A 12 ARG HD3 . 26036 1 87 . 1 1 13 13 LYS H H 1 8.328 0.002 . 1 . . . A 13 LYS H . 26036 1 88 . 1 1 13 13 LYS HA H 1 4.334 0.004 . 1 . . . A 13 LYS HA . 26036 1 89 . 1 1 13 13 LYS HB2 H 1 1.809 0.001 . 1 . . . A 13 LYS HB2 . 26036 1 90 . 1 1 13 13 LYS HB3 H 1 1.727 0.001 . 1 . . . A 13 LYS HB3 . 26036 1 91 . 1 1 13 13 LYS HG2 H 1 1.475 0.003 . 2 . . . A 13 LYS HG2 . 26036 1 92 . 1 1 13 13 LYS HG3 H 1 1.475 0.003 . 2 . . . A 13 LYS HG3 . 26036 1 93 . 1 1 13 13 LYS HD2 H 1 1.631 0.004 . 2 . . . A 13 LYS HD2 . 26036 1 94 . 1 1 13 13 LYS HD3 H 1 1.631 0.004 . 2 . . . A 13 LYS HD3 . 26036 1 95 . 1 1 14 14 LEU H H 1 8.225 0.002 . 1 . . . A 14 LEU H . 26036 1 96 . 1 1 14 14 LEU HA H 1 4.405 0.003 . 1 . . . A 14 LEU HA . 26036 1 97 . 1 1 14 14 LEU HB2 H 1 1.556 0.002 . 2 . . . A 14 LEU HB2 . 26036 1 98 . 1 1 14 14 LEU HB3 H 1 1.556 0.002 . 2 . . . A 14 LEU HB3 . 26036 1 99 . 1 1 14 14 LEU HG H 1 1.480 0.003 . 1 . . . A 14 LEU HG . 26036 1 100 . 1 1 14 14 LEU HD11 H 1 0.876 0.001 . 2 . . . A 14 LEU HD11 . 26036 1 101 . 1 1 14 14 LEU HD12 H 1 0.876 0.001 . 2 . . . A 14 LEU HD12 . 26036 1 102 . 1 1 14 14 LEU HD13 H 1 0.876 0.001 . 2 . . . A 14 LEU HD13 . 26036 1 103 . 1 1 14 14 LEU HD21 H 1 0.876 0.001 . 2 . . . A 14 LEU HD21 . 26036 1 104 . 1 1 14 14 LEU HD22 H 1 0.876 0.001 . 2 . . . A 14 LEU HD22 . 26036 1 105 . 1 1 14 14 LEU HD23 H 1 0.876 0.001 . 2 . . . A 14 LEU HD23 . 26036 1 106 . 1 1 15 15 THR H H 1 8.110 0.001 . 1 . . . A 15 THR H . 26036 1 107 . 1 1 15 15 THR HA H 1 4.296 0.002 . 1 . . . A 15 THR HA . 26036 1 108 . 1 1 15 15 THR HB H 1 4.146 0.002 . 1 . . . A 15 THR HB . 26036 1 109 . 1 1 15 15 THR HG21 H 1 1.152 0.001 . 1 . . . A 15 THR HG21 . 26036 1 110 . 1 1 15 15 THR HG22 H 1 1.152 0.001 . 1 . . . A 15 THR HG22 . 26036 1 111 . 1 1 15 15 THR HG23 H 1 1.152 0.001 . 1 . . . A 15 THR HG23 . 26036 1 112 . 1 1 16 16 HIS H H 1 8.488 0.003 . 1 . . . A 16 HIS H . 26036 1 113 . 1 1 16 16 HIS HA H 1 4.722 0.001 . 1 . . . A 16 HIS HA . 26036 1 114 . 1 1 16 16 HIS HB2 H 1 3.269 0.001 . 1 . . . A 16 HIS HB2 . 26036 1 115 . 1 1 16 16 HIS HB3 H 1 3.148 0.002 . 1 . . . A 16 HIS HB3 . 26036 1 116 . 1 1 17 17 ARG H H 1 8.430 0.003 . 1 . . . A 17 ARG H . 26036 1 117 . 1 1 17 17 ARG HA H 1 4.263 0.002 . 1 . . . A 17 ARG HA . 26036 1 118 . 1 1 17 17 ARG HB2 H 1 1.713 0.003 . 2 . . . A 17 ARG HB2 . 26036 1 119 . 1 1 17 17 ARG HB3 H 1 1.713 0.003 . 2 . . . A 17 ARG HB3 . 26036 1 120 . 1 1 17 17 ARG HG2 H 1 1.546 0.003 . 2 . . . A 17 ARG HG2 . 26036 1 121 . 1 1 17 17 ARG HG3 H 1 1.546 0.003 . 2 . . . A 17 ARG HG3 . 26036 1 122 . 1 1 17 17 ARG HD2 H 1 3.151 0.003 . 2 . . . A 17 ARG HD2 . 26036 1 123 . 1 1 17 17 ARG HD3 H 1 3.151 0.003 . 2 . . . A 17 ARG HD3 . 26036 1 124 . 1 1 18 18 LEU H H 1 8.261 0.002 . 1 . . . A 18 LEU H . 26036 1 125 . 1 1 18 18 LEU HA H 1 4.337 0.003 . 1 . . . A 18 LEU HA . 26036 1 126 . 1 1 18 18 LEU HB2 H 1 1.456 0.002 . 2 . . . A 18 LEU HB2 . 26036 1 127 . 1 1 18 18 LEU HB3 H 1 1.456 0.002 . 2 . . . A 18 LEU HB3 . 26036 1 128 . 1 1 18 18 LEU HG H 1 1.405 0.003 . 1 . . . A 18 LEU HG . 26036 1 129 . 1 1 18 18 LEU HD11 H 1 0.878 0.001 . 2 . . . A 18 LEU HD11 . 26036 1 130 . 1 1 18 18 LEU HD12 H 1 0.878 0.001 . 2 . . . A 18 LEU HD12 . 26036 1 131 . 1 1 18 18 LEU HD13 H 1 0.878 0.001 . 2 . . . A 18 LEU HD13 . 26036 1 132 . 1 1 18 18 LEU HD21 H 1 0.878 0.001 . 2 . . . A 18 LEU HD21 . 26036 1 133 . 1 1 18 18 LEU HD22 H 1 0.878 0.001 . 2 . . . A 18 LEU HD22 . 26036 1 134 . 1 1 18 18 LEU HD23 H 1 0.878 0.001 . 2 . . . A 18 LEU HD23 . 26036 1 135 . 1 1 19 19 PHE H H 1 8.314 0.003 . 1 . . . A 19 PHE H . 26036 1 136 . 1 1 19 19 PHE HA H 1 4.624 0.004 . 1 . . . A 19 PHE HA . 26036 1 137 . 1 1 19 19 PHE HB2 H 1 3.095 0.002 . 1 . . . A 19 PHE HB2 . 26036 1 138 . 1 1 19 19 PHE HB3 H 1 3.011 0.002 . 1 . . . A 19 PHE HB3 . 26036 1 139 . 1 1 19 19 PHE HD1 H 1 7.228 0.002 . 3 . . . A 19 PHE HD1 . 26036 1 140 . 1 1 19 19 PHE HD2 H 1 7.228 0.002 . 3 . . . A 19 PHE HD2 . 26036 1 141 . 1 1 19 19 PHE HE1 H 1 7.320 0.002 . 3 . . . A 19 PHE HE1 . 26036 1 142 . 1 1 19 19 PHE HE2 H 1 7.320 0.002 . 3 . . . A 19 PHE HE2 . 26036 1 143 . 1 1 20 20 ARG H H 1 8.222 0.003 . 1 . . . A 20 ARG H . 26036 1 144 . 1 1 20 20 ARG HA H 1 4.300 0.002 . 1 . . . A 20 ARG HA . 26036 1 145 . 1 1 20 20 ARG HB2 H 1 1.819 0.003 . 1 . . . A 20 ARG HB2 . 26036 1 146 . 1 1 20 20 ARG HB3 H 1 1.708 0.002 . 1 . . . A 20 ARG HB3 . 26036 1 147 . 1 1 20 20 ARG HG2 H 1 1.570 0.003 . 2 . . . A 20 ARG HG2 . 26036 1 148 . 1 1 20 20 ARG HG3 H 1 1.570 0.003 . 2 . . . A 20 ARG HG3 . 26036 1 149 . 1 1 20 20 ARG HD2 H 1 3.168 0.003 . 2 . . . A 20 ARG HD2 . 26036 1 150 . 1 1 20 20 ARG HD3 H 1 3.168 0.003 . 2 . . . A 20 ARG HD3 . 26036 1 151 . 1 1 21 21 ARG HA H 1 4.132 0.002 . 1 . . . A 21 ARG HA . 26036 1 152 . 1 1 21 21 ARG HB2 H 1 1.828 0.003 . 1 . . . A 21 ARG HB2 . 26036 1 153 . 1 1 21 21 ARG HB3 H 1 1.710 0.002 . 1 . . . A 21 ARG HB3 . 26036 1 154 . 1 1 21 21 ARG HG2 H 1 1.606 0.003 . 2 . . . A 21 ARG HG2 . 26036 1 155 . 1 1 21 21 ARG HG3 H 1 1.606 0.003 . 2 . . . A 21 ARG HG3 . 26036 1 156 . 1 1 21 21 ARG HD2 H 1 3.172 0.003 . 2 . . . A 21 ARG HD2 . 26036 1 157 . 1 1 21 21 ARG HD3 H 1 3.172 0.003 . 2 . . . A 21 ARG HD3 . 26036 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 21 26036 1 1 22 26036 1 1 23 26036 1 1 24 26036 1 1 25 26036 1 1 26 26036 1 2 44 26036 1 2 45 26036 1 2 46 26036 1 2 47 26036 1 2 48 26036 1 2 49 26036 1 stop_ save_