################################### # 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 36057 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.01 _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-15N HSQC' 1 $sample_1 isotropic 36057 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36057 1 3 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36057 1 4 '2D 1H-1H COSY' 1 $sample_1 isotropic 36057 1 5 '2D 1H-1H COSY' 1 $sample_1 isotropic 36057 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 GLY H H 1 9.422 0.01 . . . . . . A 1 GLY H1 . 36057 1 2 . 1 . 1 1 1 GLY HA2 H 1 4.187 0.01 . . . . . . A 1 GLY HA2 . 36057 1 3 . 1 . 1 1 1 GLY HA3 H 1 4.187 0.01 . . . . . . A 1 GLY HA3 . 36057 1 4 . 1 . 1 2 2 LEU H H 1 9.078 0.01 . . . . . . A 2 LEU H . 36057 1 5 . 1 . 1 2 2 LEU HA H 1 4.101 0.01 . . . . . . A 2 LEU HA . 36057 1 6 . 1 . 1 2 2 LEU HB2 H 1 1.808 0.01 . . . . . . A 2 LEU HB2 . 36057 1 7 . 1 . 1 2 2 LEU HB3 H 1 1.645 0.01 . . . . . . A 2 LEU HB3 . 36057 1 8 . 1 . 1 3 3 GLY H H 1 9.076 0.01 . . . . . . A 3 GLY H . 36057 1 9 . 1 . 1 3 3 GLY HA2 H 1 3.864 0.01 . . . . . . A 3 GLY HA2 . 36057 1 10 . 1 . 1 3 3 GLY HA3 H 1 3.864 0.01 . . . . . . A 3 GLY HA3 . 36057 1 11 . 1 . 1 3 3 GLY N N 15 107.291 0.01 . . . . . . A 3 GLY N . 36057 1 12 . 1 . 1 4 4 SER H H 1 8.258 0.01 . . . . . . A 4 SER H . 36057 1 13 . 1 . 1 4 4 SER HA H 1 4.453 0.01 . . . . . . A 4 SER HA . 36057 1 14 . 1 . 1 4 4 SER HB2 H 1 4.082 0.01 . . . . . . A 4 SER HB2 . 36057 1 15 . 1 . 1 4 4 SER HB3 H 1 4.082 0.01 . . . . . . A 4 SER HB3 . 36057 1 16 . 1 . 1 4 4 SER N N 15 116.772 0.01 . . . . . . A 4 SER N . 36057 1 17 . 1 . 1 5 5 VAL H H 1 8.010 0.01 . . . . . . A 5 VAL H . 36057 1 18 . 1 . 1 5 5 VAL HA H 1 3.831 0.01 . . . . . . A 5 VAL HA . 36057 1 19 . 1 . 1 5 5 VAL HB H 1 2.202 0.01 . . . . . . A 5 VAL HB . 36057 1 20 . 1 . 1 5 5 VAL HG11 H 1 1.057 0.01 . . . . . . A 5 VAL HG11 . 36057 1 21 . 1 . 1 5 5 VAL HG12 H 1 1.057 0.01 . . . . . . A 5 VAL HG12 . 36057 1 22 . 1 . 1 5 5 VAL HG13 H 1 1.057 0.01 . . . . . . A 5 VAL HG13 . 36057 1 23 . 1 . 1 5 5 VAL HG21 H 1 0.833 0.01 . . . . . . A 5 VAL HG21 . 36057 1 24 . 1 . 1 5 5 VAL HG22 H 1 0.833 0.01 . . . . . . A 5 VAL HG22 . 36057 1 25 . 1 . 1 5 5 VAL HG23 H 1 0.833 0.01 . . . . . . A 5 VAL HG23 . 36057 1 26 . 1 . 1 5 5 VAL N N 15 122.406 0.01 . . . . . . A 5 VAL N . 36057 1 27 . 1 . 1 6 6 PHE H H 1 8.309 0.01 . . . . . . A 6 PHE H . 36057 1 28 . 1 . 1 6 6 PHE HA H 1 4.305 0.01 . . . . . . A 6 PHE HA . 36057 1 29 . 1 . 1 6 6 PHE HB2 H 1 3.214 0.01 . . . . . . A 6 PHE HB2 . 36057 1 30 . 1 . 1 6 6 PHE HB3 H 1 3.214 0.01 . . . . . . A 6 PHE HB3 . 36057 1 31 . 1 . 1 6 6 PHE HD1 H 1 7.301 0.01 . . . . . . A 6 PHE HD1 . 36057 1 32 . 1 . 1 6 6 PHE HD2 H 1 7.301 0.01 . . . . . . A 6 PHE HD2 . 36057 1 33 . 1 . 1 6 6 PHE HE1 H 1 7.168 0.01 . . . . . . A 6 PHE HE1 . 36057 1 34 . 1 . 1 6 6 PHE HE2 H 1 7.168 0.01 . . . . . . A 6 PHE HE2 . 36057 1 35 . 1 . 1 6 6 PHE HZ H 1 7.246 0.01 . . . . . . A 6 PHE HZ . 36057 1 36 . 1 . 1 6 6 PHE N N 15 118.469 0.01 . . . . . . A 6 PHE N . 36057 1 37 . 1 . 1 7 7 GLY H H 1 8.495 0.01 . . . . . . A 7 GLY H . 36057 1 38 . 1 . 1 7 7 GLY HA2 H 1 4.100 0.01 . . . . . . A 7 GLY HA2 . 36057 1 39 . 1 . 1 7 7 GLY HA3 H 1 3.860 0.01 . . . . . . A 7 GLY HA3 . 36057 1 40 . 1 . 1 7 7 GLY N N 15 106.523 0.01 . . . . . . A 7 GLY N . 36057 1 41 . 1 . 1 8 8 ARG H H 1 7.825 0.01 . . . . . . A 8 ARG H . 36057 1 42 . 1 . 1 8 8 ARG HA H 1 4.192 0.01 . . . . . . A 8 ARG HA . 36057 1 43 . 1 . 1 8 8 ARG HB2 H 1 2.041 0.01 . . . . . . A 8 ARG HB2 . 36057 1 44 . 1 . 1 8 8 ARG HB3 H 1 2.041 0.01 . . . . . . A 8 ARG HB3 . 36057 1 45 . 1 . 1 8 8 ARG HG2 H 1 1.884 0.01 . . . . . . A 8 ARG HG2 . 36057 1 46 . 1 . 1 8 8 ARG HG3 H 1 1.772 0.01 . . . . . . A 8 ARG HG3 . 36057 1 47 . 1 . 1 8 8 ARG HD2 H 1 3.255 0.01 . . . . . . A 8 ARG HD2 . 36057 1 48 . 1 . 1 8 8 ARG HD3 H 1 3.255 0.01 . . . . . . A 8 ARG HD3 . 36057 1 49 . 1 . 1 8 8 ARG HE H 1 7.578 0.01 . . . . . . A 8 ARG HE . 36057 1 50 . 1 . 1 8 8 ARG N N 15 121.356 0.01 . . . . . . A 8 ARG N . 36057 1 51 . 1 . 1 9 9 LEU H H 1 8.175 0.01 . . . . . . A 9 LEU H . 36057 1 52 . 1 . 1 9 9 LEU HA H 1 4.115 0.01 . . . . . . A 9 LEU HA . 36057 1 53 . 1 . 1 9 9 LEU HB2 H 1 1.830 0.01 . . . . . . A 9 LEU HB2 . 36057 1 54 . 1 . 1 9 9 LEU HB3 H 1 1.830 0.01 . . . . . . A 9 LEU HB3 . 36057 1 55 . 1 . 1 9 9 LEU HG H 1 1.684 0.01 . . . . . . A 9 LEU HG . 36057 1 56 . 1 . 1 9 9 LEU HD11 H 1 1.021 0.01 . . . . . . A 9 LEU HD11 . 36057 1 57 . 1 . 1 9 9 LEU HD12 H 1 1.021 0.01 . . . . . . A 9 LEU HD12 . 36057 1 58 . 1 . 1 9 9 LEU HD13 H 1 1.021 0.01 . . . . . . A 9 LEU HD13 . 36057 1 59 . 1 . 1 9 9 LEU HD21 H 1 0.918 0.01 . . . . . . A 9 LEU HD21 . 36057 1 60 . 1 . 1 9 9 LEU HD22 H 1 0.918 0.01 . . . . . . A 9 LEU HD22 . 36057 1 61 . 1 . 1 9 9 LEU HD23 H 1 0.918 0.01 . . . . . . A 9 LEU HD23 . 36057 1 62 . 1 . 1 9 9 LEU N N 15 119.041 0.01 . . . . . . A 9 LEU N . 36057 1 63 . 1 . 1 10 10 ALA H H 1 8.560 0.01 . . . . . . A 10 ALA H . 36057 1 64 . 1 . 1 10 10 ALA HA H 1 3.917 0.01 . . . . . . A 10 ALA HA . 36057 1 65 . 1 . 1 10 10 ALA HB1 H 1 1.509 0.01 . . . . . . A 10 ALA HB1 . 36057 1 66 . 1 . 1 10 10 ALA HB2 H 1 1.509 0.01 . . . . . . A 10 ALA HB2 . 36057 1 67 . 1 . 1 10 10 ALA HB3 H 1 1.509 0.01 . . . . . . A 10 ALA HB3 . 36057 1 68 . 1 . 1 10 10 ALA N N 15 120.624 0.01 . . . . . . A 10 ALA N . 36057 1 69 . 1 . 1 11 11 ARG H H 1 7.656 0.01 . . . . . . A 11 ARG H . 36057 1 70 . 1 . 1 11 11 ARG HA H 1 4.156 0.01 . . . . . . A 11 ARG HA . 36057 1 71 . 1 . 1 11 11 ARG HB2 H 1 2.031 0.01 . . . . . . A 11 ARG HB2 . 36057 1 72 . 1 . 1 11 11 ARG HB3 H 1 2.031 0.01 . . . . . . A 11 ARG HB3 . 36057 1 73 . 1 . 1 11 11 ARG HG2 H 1 1.905 0.01 . . . . . . A 11 ARG HG2 . 36057 1 74 . 1 . 1 11 11 ARG HG3 H 1 1.736 0.01 . . . . . . A 11 ARG HG3 . 36057 1 75 . 1 . 1 11 11 ARG HD2 H 1 3.297 0.01 . . . . . . A 11 ARG HD2 . 36057 1 76 . 1 . 1 11 11 ARG HD3 H 1 3.297 0.01 . . . . . . A 11 ARG HD3 . 36057 1 77 . 1 . 1 11 11 ARG HE H 1 7.466 0.01 . . . . . . A 11 ARG HE . 36057 1 78 . 1 . 1 11 11 ARG N N 15 116.264 0.01 . . . . . . A 11 ARG N . 36057 1 79 . 1 . 1 12 12 ILE H H 1 7.785 0.01 . . . . . . A 12 ILE H . 36057 1 80 . 1 . 1 12 12 ILE HA H 1 3.920 0.01 . . . . . . A 12 ILE HA . 36057 1 81 . 1 . 1 12 12 ILE HB H 1 2.273 0.01 . . . . . . A 12 ILE HB . 36057 1 82 . 1 . 1 12 12 ILE HG12 H 1 1.295 0.01 . . . . . . A 12 ILE HG12 . 36057 1 83 . 1 . 1 12 12 ILE HG13 H 1 1.295 0.01 . . . . . . A 12 ILE HG13 . 36057 1 84 . 1 . 1 12 12 ILE HD11 H 1 1.294 0.01 . . . . . . A 12 ILE HD11 . 36057 1 85 . 1 . 1 12 12 ILE HD12 H 1 1.294 0.01 . . . . . . A 12 ILE HD12 . 36057 1 86 . 1 . 1 12 12 ILE HD13 H 1 1.294 0.01 . . . . . . A 12 ILE HD13 . 36057 1 87 . 1 . 1 12 12 ILE N N 15 114.433 0.01 . . . . . . A 12 ILE N . 36057 1 88 . 1 . 1 13 13 LEU H H 1 8.397 0.01 . . . . . . A 13 LEU H . 36057 1 89 . 1 . 1 13 13 LEU HA H 1 4.128 0.01 . . . . . . A 13 LEU HA . 36057 1 90 . 1 . 1 13 13 LEU HB2 H 1 1.894 0.01 . . . . . . A 13 LEU HB2 . 36057 1 91 . 1 . 1 13 13 LEU HB3 H 1 1.894 0.01 . . . . . . A 13 LEU HB3 . 36057 1 92 . 1 . 1 13 13 LEU HG H 1 1.532 0.01 . . . . . . A 13 LEU HG . 36057 1 93 . 1 . 1 13 13 LEU N N 15 118.915 0.01 . . . . . . A 13 LEU N . 36057 1 94 . 1 . 1 14 14 GLY H H 1 8.281 0.01 . . . . . . A 14 GLY H . 36057 1 95 . 1 . 1 14 14 GLY HA2 H 1 3.923 0.01 . . . . . . A 14 GLY HA2 . 36057 1 96 . 1 . 1 14 14 GLY HA3 H 1 3.923 0.01 . . . . . . A 14 GLY HA3 . 36057 1 97 . 1 . 1 14 14 GLY N N 15 104.803 0.01 . . . . . . A 14 GLY N . 36057 1 98 . 1 . 1 15 15 ARG H H 1 7.562 0.01 . . . . . . A 15 ARG H . 36057 1 99 . 1 . 1 15 15 ARG HA H 1 4.394 0.01 . . . . . . A 15 ARG HA . 36057 1 100 . 1 . 1 15 15 ARG HB2 H 1 2.045 0.01 . . . . . . A 15 ARG HB2 . 36057 1 101 . 1 . 1 15 15 ARG HB3 H 1 2.045 0.01 . . . . . . A 15 ARG HB3 . 36057 1 102 . 1 . 1 15 15 ARG HG2 H 1 1.880 0.01 . . . . . . A 15 ARG HG2 . 36057 1 103 . 1 . 1 15 15 ARG HG3 H 1 1.788 0.01 . . . . . . A 15 ARG HG3 . 36057 1 104 . 1 . 1 15 15 ARG HD2 H 1 3.289 0.01 . . . . . . A 15 ARG HD2 . 36057 1 105 . 1 . 1 15 15 ARG HD3 H 1 3.289 0.01 . . . . . . A 15 ARG HD3 . 36057 1 106 . 1 . 1 15 15 ARG HE H 1 7.541 0.01 . . . . . . A 15 ARG HE . 36057 1 107 . 1 . 1 15 15 ARG N N 15 117.001 0.01 . . . . . . A 15 ARG N . 36057 1 108 . 1 . 1 16 16 VAL H H 1 7.782 0.01 . . . . . . A 16 VAL H . 36057 1 109 . 1 . 1 16 16 VAL HA H 1 4.220 0.01 . . . . . . A 16 VAL HA . 36057 1 110 . 1 . 1 16 16 VAL HB H 1 2.045 0.01 . . . . . . A 16 VAL HB . 36057 1 111 . 1 . 1 16 16 VAL HG11 H 1 1.105 0.01 . . . . . . A 16 VAL HG11 . 36057 1 112 . 1 . 1 16 16 VAL HG12 H 1 1.105 0.01 . . . . . . A 16 VAL HG12 . 36057 1 113 . 1 . 1 16 16 VAL HG13 H 1 1.105 0.01 . . . . . . A 16 VAL HG13 . 36057 1 114 . 1 . 1 16 16 VAL HG21 H 1 1.004 0.01 . . . . . . A 16 VAL HG21 . 36057 1 115 . 1 . 1 16 16 VAL HG22 H 1 1.004 0.01 . . . . . . A 16 VAL HG22 . 36057 1 116 . 1 . 1 16 16 VAL HG23 H 1 1.004 0.01 . . . . . . A 16 VAL HG23 . 36057 1 117 . 1 . 1 16 16 VAL N N 15 119.190 0.01 . . . . . . A 16 VAL N . 36057 1 118 . 1 . 1 17 17 ILE H H 1 7.930 0.01 . . . . . . A 17 ILE H . 36057 1 119 . 1 . 1 17 17 ILE HA H 1 4.195 0.01 . . . . . . A 17 ILE HA . 36057 1 120 . 1 . 1 17 17 ILE HB H 1 2.041 0.01 . . . . . . A 17 ILE HB . 36057 1 121 . 1 . 1 17 17 ILE HG12 H 1 1.298 0.01 . . . . . . A 17 ILE HG12 . 36057 1 122 . 1 . 1 17 17 ILE HG13 H 1 1.298 0.01 . . . . . . A 17 ILE HG13 . 36057 1 123 . 1 . 1 17 17 ILE HG21 H 1 1.028 0.01 . . . . . . A 17 ILE HG21 . 36057 1 124 . 1 . 1 17 17 ILE HG22 H 1 1.028 0.01 . . . . . . A 17 ILE HG22 . 36057 1 125 . 1 . 1 17 17 ILE HG23 H 1 1.028 0.01 . . . . . . A 17 ILE HG23 . 36057 1 126 . 1 . 1 17 17 ILE N N 15 116.109 0.01 . . . . . . A 17 ILE N . 36057 1 127 . 1 . 1 18 18 PRO HA H 1 4.482 0.01 . . . . . . A 18 PRO HA . 36057 1 128 . 1 . 1 18 18 PRO HB2 H 1 2.434 0.01 . . . . . . A 18 PRO HB2 . 36057 1 129 . 1 . 1 18 18 PRO HB3 H 1 2.269 0.01 . . . . . . A 18 PRO HB3 . 36057 1 130 . 1 . 1 18 18 PRO HD2 H 1 3.804 0.01 . . . . . . A 18 PRO HD2 . 36057 1 131 . 1 . 1 18 18 PRO HD3 H 1 3.573 0.01 . . . . . . A 18 PRO HD3 . 36057 1 132 . 1 . 1 19 19 LYS H H 1 7.930 0.01 . . . . . . A 19 LYS H . 36057 1 133 . 1 . 1 19 19 LYS HA H 1 4.255 0.01 . . . . . . A 19 LYS HA . 36057 1 134 . 1 . 1 19 19 LYS HB2 H 1 1.971 0.01 . . . . . . A 19 LYS HB2 . 36057 1 135 . 1 . 1 19 19 LYS HB3 H 1 1.971 0.01 . . . . . . A 19 LYS HB3 . 36057 1 136 . 1 . 1 19 19 LYS HG2 H 1 1.546 0.01 . . . . . . A 19 LYS HG2 . 36057 1 137 . 1 . 1 19 19 LYS HG3 H 1 1.546 0.01 . . . . . . A 19 LYS HG3 . 36057 1 138 . 1 . 1 19 19 LYS HD2 H 1 1.763 0.01 . . . . . . A 19 LYS HD2 . 36057 1 139 . 1 . 1 19 19 LYS HD3 H 1 1.763 0.01 . . . . . . A 19 LYS HD3 . 36057 1 140 . 1 . 1 19 19 LYS HE2 H 1 3.052 0.01 . . . . . . A 19 LYS HE2 . 36057 1 141 . 1 . 1 19 19 LYS HE3 H 1 3.052 0.01 . . . . . . A 19 LYS HE3 . 36057 1 142 . 1 . 1 19 19 LYS HZ1 H 1 7.746 0.01 . . . . . . A 19 LYS HZ1 . 36057 1 143 . 1 . 1 19 19 LYS HZ2 H 1 7.746 0.01 . . . . . . A 19 LYS HZ2 . 36057 1 144 . 1 . 1 19 19 LYS HZ3 H 1 7.746 0.01 . . . . . . A 19 LYS HZ3 . 36057 1 145 . 1 . 1 19 19 LYS N N 15 119.964 0.01 . . . . . . A 19 LYS N . 36057 1 146 . 1 . 1 20 20 VAL H H 1 7.875 0.01 . . . . . . A 20 VAL H . 36057 1 147 . 1 . 1 20 20 VAL HA H 1 4.116 0.01 . . . . . . A 20 VAL HA . 36057 1 148 . 1 . 1 20 20 VAL HB H 1 2.206 0.01 . . . . . . A 20 VAL HB . 36057 1 149 . 1 . 1 20 20 VAL HG11 H 1 1.023 0.01 . . . . . . A 20 VAL HG11 . 36057 1 150 . 1 . 1 20 20 VAL HG12 H 1 1.023 0.01 . . . . . . A 20 VAL HG12 . 36057 1 151 . 1 . 1 20 20 VAL HG13 H 1 1.023 0.01 . . . . . . A 20 VAL HG13 . 36057 1 152 . 1 . 1 20 20 VAL HG21 H 1 1.023 0.01 . . . . . . A 20 VAL HG21 . 36057 1 153 . 1 . 1 20 20 VAL HG22 H 1 1.023 0.01 . . . . . . A 20 VAL HG22 . 36057 1 154 . 1 . 1 20 20 VAL HG23 H 1 1.023 0.01 . . . . . . A 20 VAL HG23 . 36057 1 155 . 1 . 1 20 20 VAL N N 15 117.528 0.01 . . . . . . A 20 VAL N . 36057 1 stop_ save_