################################### # 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 17661 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_25C _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 COSY' . . . 17661 1 2 '2D 1H-1H TOCSY' . . . 17661 1 3 '2D 1H-1H NOESY' . . . 17661 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 CYS HA H 1 4.183 . . 1 . . . A 1 CYS HA . 17661 1 2 . 1 1 1 1 CYS HB2 H 1 3.321 . . 2 . . . A 1 CYS HB2 . 17661 1 3 . 1 1 1 1 CYS HB3 H 1 3.073 . . 2 . . . A 1 CYS HB3 . 17661 1 4 . 1 1 2 2 SER H H 1 8.942 . . 1 . . . A 2 SER H . 17661 1 5 . 1 1 2 2 SER HA H 1 4.734 . . 1 . . . A 2 SER HA . 17661 1 6 . 1 1 2 2 SER HB2 H 1 3.821 . . 2 . . . A 2 SER HB2 . 17661 1 7 . 1 1 2 2 SER HB3 H 1 3.821 . . 2 . . . A 2 SER HB3 . 17661 1 8 . 1 1 3 3 CYS H H 1 8.728 . . 1 . . . A 3 CYS H . 17661 1 9 . 1 1 3 3 CYS HA H 1 4.897 . . 1 . . . A 3 CYS HA . 17661 1 10 . 1 1 3 3 CYS HB2 H 1 3.370 . . 2 . . . A 3 CYS HB2 . 17661 1 11 . 1 1 3 3 CYS HB3 H 1 2.940 . . 2 . . . A 3 CYS HB3 . 17661 1 12 . 1 1 4 4 THR H H 1 8.058 . . 1 . . . A 4 THR H . 17661 1 13 . 1 1 4 4 THR HA H 1 4.104 . . 1 . . . A 4 THR HA . 17661 1 14 . 1 1 4 4 THR HB H 1 3.958 . . 1 . . . A 4 THR HB . 17661 1 15 . 1 1 4 4 THR HG21 H 1 1.135 . . 1 . . . A 4 THR HG21 . 17661 1 16 . 1 1 4 4 THR HG22 H 1 1.135 . . 1 . . . A 4 THR HG22 . 17661 1 17 . 1 1 4 4 THR HG23 H 1 1.135 . . 1 . . . A 4 THR HG23 . 17661 1 18 . 1 1 5 5 ASP H H 1 8.871 . . 1 . . . A 5 ASP H . 17661 1 19 . 1 1 5 5 ASP HA H 1 4.494 . . 1 . . . A 5 ASP HA . 17661 1 20 . 1 1 5 5 ASP HB2 H 1 3.073 . . 2 . . . A 5 ASP HB2 . 17661 1 21 . 1 1 5 5 ASP HB3 H 1 2.805 . . 2 . . . A 5 ASP HB3 . 17661 1 22 . 1 1 6 6 MET H H 1 7.903 . . 1 . . . A 6 MET H . 17661 1 23 . 1 1 6 6 MET HA H 1 4.630 . . 1 . . . A 6 MET HA . 17661 1 24 . 1 1 6 6 MET HB2 H 1 2.066 . . 2 . . . A 6 MET HB2 . 17661 1 25 . 1 1 6 6 MET HB3 H 1 1.765 . . 2 . . . A 6 MET HB3 . 17661 1 26 . 1 1 6 6 MET HG2 H 1 2.438 . . 2 . . . A 6 MET HG2 . 17661 1 27 . 1 1 6 6 MET HG3 H 1 2.322 . . 2 . . . A 6 MET HG3 . 17661 1 28 . 1 1 6 6 MET HE1 H 1 1.690 . . 1 . . . A 6 MET HE1 . 17661 1 29 . 1 1 6 6 MET HE2 H 1 1.690 . . 1 . . . A 6 MET HE1 . 17661 1 30 . 1 1 6 6 MET HE3 H 1 1.690 . . 1 . . . A 6 MET HE1 . 17661 1 31 . 1 1 7 7 SER H H 1 8.179 . . 1 . . . A 7 SER H . 17661 1 32 . 1 1 7 7 SER HA H 1 4.471 . . 1 . . . A 7 SER HA . 17661 1 33 . 1 1 7 7 SER HB2 H 1 4.235 . . 2 . . . A 7 SER HB2 . 17661 1 34 . 1 1 7 7 SER HB3 H 1 3.973 . . 2 . . . A 7 SER HB3 . 17661 1 35 . 1 1 8 8 ASP H H 1 8.809 . . 1 . . . A 8 ASP H . 17661 1 36 . 1 1 8 8 ASP HA H 1 4.385 . . 1 . . . A 8 ASP HA . 17661 1 37 . 1 1 8 8 ASP HB2 H 1 2.884 . . 2 . . . A 8 ASP HB2 . 17661 1 38 . 1 1 8 8 ASP HB3 H 1 2.837 . . 2 . . . A 8 ASP HB3 . 17661 1 39 . 1 1 9 9 LEU H H 1 8.331 . . 1 . . . A 9 LEU H . 17661 1 40 . 1 1 9 9 LEU HA H 1 4.048 . . 1 . . . A 9 LEU HA . 17661 1 41 . 1 1 9 9 LEU HB2 H 1 1.625 . . 2 . . . A 9 LEU HB2 . 17661 1 42 . 1 1 9 9 LEU HB3 H 1 1.625 . . 2 . . . A 9 LEU HB3 . 17661 1 43 . 1 1 9 9 LEU HG H 1 1.537 . . 1 . . . A 9 LEU HG . 17661 1 44 . 1 1 9 9 LEU HD11 H 1 0.853 . . 4 . . . A 9 LEU HD11 . 17661 1 45 . 1 1 9 9 LEU HD12 H 1 0.853 . . 4 . . . A 9 LEU HD12 . 17661 1 46 . 1 1 9 9 LEU HD13 H 1 0.853 . . 4 . . . A 9 LEU HD13 . 17661 1 47 . 1 1 9 9 LEU HD21 H 1 0.904 . . 4 . . . A 9 LEU HD21 . 17661 1 48 . 1 1 9 9 LEU HD22 H 1 0.904 . . 4 . . . A 9 LEU HD22 . 17661 1 49 . 1 1 9 9 LEU HD23 H 1 0.904 . . 4 . . . A 9 LEU HD23 . 17661 1 50 . 1 1 10 10 GLU H H 1 7.757 . . 1 . . . A 10 GLU H . 17661 1 51 . 1 1 10 10 GLU HA H 1 4.069 . . 1 . . . A 10 GLU HA . 17661 1 52 . 1 1 10 10 GLU HB2 H 1 2.149 . . 2 . . . A 10 GLU HB2 . 17661 1 53 . 1 1 10 10 GLU HB3 H 1 2.071 . . 2 . . . A 10 GLU HB3 . 17661 1 54 . 1 1 10 10 GLU HG2 H 1 2.537 . . 2 . . . A 10 GLU HG2 . 17661 1 55 . 1 1 10 10 GLU HG3 H 1 2.537 . . 2 . . . A 10 GLU HG3 . 17661 1 56 . 1 1 11 11 CYS H H 1 8.510 . . 1 . . . A 11 CYS H . 17661 1 57 . 1 1 11 11 CYS HA H 1 4.585 . . 1 . . . A 11 CYS HA . 17661 1 58 . 1 1 11 11 CYS HB2 H 1 3.108 . . 2 . . . A 11 CYS HB2 . 17661 1 59 . 1 1 11 11 CYS HB3 H 1 3.108 . . 2 . . . A 11 CYS HB3 . 17661 1 60 . 1 1 12 12 MET H H 1 8.203 . . 1 . . . A 12 MET H . 17661 1 61 . 1 1 12 12 MET HA H 1 4.097 . . 1 . . . A 12 MET HA . 17661 1 62 . 1 1 12 12 MET HB2 H 1 2.150 . . 2 . . . A 12 MET HB2 . 17661 1 63 . 1 1 12 12 MET HB3 H 1 2.081 . . 2 . . . A 12 MET HB3 . 17661 1 64 . 1 1 12 12 MET HG2 H 1 2.615 . . 2 . . . A 12 MET HG2 . 17661 1 65 . 1 1 12 12 MET HG3 H 1 2.534 . . 2 . . . A 12 MET HG3 . 17661 1 66 . 1 1 12 12 MET HE1 H 1 2.002 . . 1 . . . A 12 MET HE1 . 17661 1 67 . 1 1 12 12 MET HE2 H 1 2.002 . . 1 . . . A 12 MET HE1 . 17661 1 68 . 1 1 12 12 MET HE3 H 1 2.002 . . 1 . . . A 12 MET HE1 . 17661 1 69 . 1 1 13 13 ASN H H 1 7.819 . . 1 . . . A 13 ASN H . 17661 1 70 . 1 1 13 13 ASN HA H 1 4.469 . . 1 . . . A 13 ASN HA . 17661 1 71 . 1 1 13 13 ASN HB2 H 1 2.752 . . 2 . . . A 13 ASN HB2 . 17661 1 72 . 1 1 13 13 ASN HB3 H 1 2.752 . . 2 . . . A 13 ASN HB3 . 17661 1 73 . 1 1 13 13 ASN HD21 H 1 6.857 . . 2 . . . A 13 ASN HD21 . 17661 1 74 . 1 1 13 13 ASN HD22 H 1 7.428 . . 2 . . . A 13 ASN HD22 . 17661 1 75 . 1 1 14 14 PHE H H 1 8.408 . . 1 . . . A 14 PHE H . 17661 1 76 . 1 1 14 14 PHE HA H 1 4.375 . . 1 . . . A 14 PHE HA . 17661 1 77 . 1 1 14 14 PHE HB2 H 1 3.210 . . 2 . . . A 14 PHE HB2 . 17661 1 78 . 1 1 14 14 PHE HB3 H 1 3.158 . . 2 . . . A 14 PHE HB3 . 17661 1 79 . 1 1 14 14 PHE HD1 H 1 7.277 . . 2 . . . A 14 PHE HD1 . 17661 1 80 . 1 1 14 14 PHE HD2 H 1 7.277 . . 2 . . . A 14 PHE HD2 . 17661 1 81 . 1 1 14 14 PHE HE1 H 1 7.308 . . 2 . . . A 14 PHE HE1 . 17661 1 82 . 1 1 14 14 PHE HE2 H 1 7.308 . . 2 . . . A 14 PHE HE2 . 17661 1 83 . 1 1 14 14 PHE HZ H 1 7.384 . . 1 . . . A 14 PHE HZ . 17661 1 84 . 1 1 15 15 CYS H H 1 8.416 . . 1 . . . A 15 CYS H . 17661 1 85 . 1 1 15 15 CYS HA H 1 4.631 . . 1 . . . A 15 CYS HA . 17661 1 86 . 1 1 15 15 CYS HB2 H 1 3.125 . . 2 . . . A 15 CYS HB2 . 17661 1 87 . 1 1 15 15 CYS HB3 H 1 2.807 . . 2 . . . A 15 CYS HB3 . 17661 1 88 . 1 1 16 16 HIS H H 1 7.847 . . 1 . . . A 16 HIS H . 17661 1 89 . 1 1 16 16 HIS HA H 1 4.628 . . 1 . . . A 16 HIS HA . 17661 1 90 . 1 1 16 16 HIS HB2 H 1 3.305 . . 2 . . . A 16 HIS HB2 . 17661 1 91 . 1 1 16 16 HIS HB3 H 1 3.305 . . 2 . . . A 16 HIS HB3 . 17661 1 92 . 1 1 16 16 HIS HD2 H 1 7.198 . . 2 . . . A 16 HIS HD2 . 17661 1 93 . 1 1 16 16 HIS HE1 H 1 8.536 . . 2 . . . A 16 HIS HE1 . 17661 1 94 . 1 1 17 17 LYS H H 1 7.969 . . 1 . . . A 17 LYS H . 17661 1 95 . 1 1 17 17 LYS HA H 1 4.268 . . 1 . . . A 17 LYS HA . 17661 1 96 . 1 1 17 17 LYS HB2 H 1 1.788 . . 2 . . . A 17 LYS HB2 . 17661 1 97 . 1 1 17 17 LYS HB3 H 1 1.726 . . 2 . . . A 17 LYS HB3 . 17661 1 98 . 1 1 17 17 LYS HG2 H 1 1.341 . . 2 . . . A 17 LYS HG2 . 17661 1 99 . 1 1 17 17 LYS HG3 H 1 1.341 . . 2 . . . A 17 LYS HG3 . 17661 1 100 . 1 1 17 17 LYS HD2 H 1 1.618 . . 2 . . . A 17 LYS HD2 . 17661 1 101 . 1 1 17 17 LYS HD3 H 1 1.618 . . 2 . . . A 17 LYS HD3 . 17661 1 102 . 1 1 17 17 LYS HE2 H 1 2.922 . . 2 . . . A 17 LYS HE2 . 17661 1 103 . 1 1 17 17 LYS HE3 H 1 2.922 . . 2 . . . A 17 LYS HE3 . 17661 1 104 . 1 1 17 17 LYS HZ1 H 1 7.489 . . 1 . . . A 17 LYS HZ1 . 17661 1 105 . 1 1 17 17 LYS HZ2 H 1 7.489 . . 1 . . . A 17 LYS HZ2 . 17661 1 106 . 1 1 17 17 LYS HZ3 H 1 7.489 . . 1 . . . A 17 LYS HZ3 . 17661 1 107 . 1 1 18 18 ASP H H 1 8.353 . . 1 . . . A 18 ASP H . 17661 1 108 . 1 1 18 18 ASP HA H 1 4.650 . . 1 . . . A 18 ASP HA . 17661 1 109 . 1 1 18 18 ASP HB2 H 1 2.874 . . 2 . . . A 18 ASP HB2 . 17661 1 110 . 1 1 18 18 ASP HB3 H 1 2.743 . . 2 . . . A 18 ASP HB3 . 17661 1 111 . 1 1 19 19 VAL H H 1 7.901 . . 1 . . . A 19 VAL H . 17661 1 112 . 1 1 19 19 VAL HA H 1 4.029 . . 1 . . . A 19 VAL HA . 17661 1 113 . 1 1 19 19 VAL HB H 1 1.920 . . 1 . . . A 19 VAL HB . 17661 1 114 . 1 1 19 19 VAL HG11 H 1 0.710 . . 4 . . . A 19 VAL HG11 . 17661 1 115 . 1 1 19 19 VAL HG12 H 1 0.710 . . 4 . . . A 19 VAL HG12 . 17661 1 116 . 1 1 19 19 VAL HG13 H 1 0.710 . . 4 . . . A 19 VAL HG13 . 17661 1 117 . 1 1 19 19 VAL HG21 H 1 0.805 . . 4 . . . A 19 VAL HG21 . 17661 1 118 . 1 1 19 19 VAL HG22 H 1 0.805 . . 4 . . . A 19 VAL HG22 . 17661 1 119 . 1 1 19 19 VAL HG23 H 1 0.805 . . 4 . . . A 19 VAL HG23 . 17661 1 120 . 1 1 20 20 ILE H H 1 8.032 . . 1 . . . A 20 ILE H . 17661 1 121 . 1 1 20 20 ILE HA H 1 4.108 . . 1 . . . A 20 ILE HA . 17661 1 122 . 1 1 20 20 ILE HB H 1 1.754 . . 1 . . . A 20 ILE HB . 17661 1 123 . 1 1 20 20 ILE HG12 H 1 1.361 . . 9 . . . A 20 ILE HG12 . 17661 1 124 . 1 1 20 20 ILE HG13 H 1 1.089 . . 9 . . . A 20 ILE HG13 . 17661 1 125 . 1 1 20 20 ILE HG21 H 1 0.770 . . 4 . . . A 20 ILE HG21 . 17661 1 126 . 1 1 20 20 ILE HG22 H 1 0.770 . . 4 . . . A 20 ILE HG22 . 17661 1 127 . 1 1 20 20 ILE HG23 H 1 0.770 . . 4 . . . A 20 ILE HG23 . 17661 1 128 . 1 1 20 20 ILE HD11 H 1 0.770 . . 1 . . . A 20 ILE HD11 . 17661 1 129 . 1 1 20 20 ILE HD12 H 1 0.770 . . 1 . . . A 20 ILE HD12 . 17661 1 130 . 1 1 20 20 ILE HD13 H 1 0.770 . . 1 . . . A 20 ILE HD13 . 17661 1 131 . 1 1 21 21 TRP H H 1 8.230 . . 1 . . . A 21 TRP H . 17661 1 132 . 1 1 21 21 TRP HA H 1 4.657 . . 1 . . . A 21 TRP HA . 17661 1 133 . 1 1 21 21 TRP HB2 H 1 3.213 . . 2 . . . A 21 TRP HB2 . 17661 1 134 . 1 1 21 21 TRP HB3 H 1 3.136 . . 2 . . . A 21 TRP HB3 . 17661 1 135 . 1 1 21 21 TRP HD1 H 1 7.162 . . 1 . . . A 21 TRP HD1 . 17661 1 136 . 1 1 21 21 TRP HE1 H 1 10.033 . . 2 . . . A 21 TRP HE1 . 17661 1 137 . 1 1 21 21 TRP HE3 H 1 7.564 . . 2 . . . A 21 TRP HE3 . 17661 1 138 . 1 1 21 21 TRP HZ2 H 1 7.429 . . 2 . . . A 21 TRP HZ2 . 17661 1 139 . 1 1 21 21 TRP HZ3 H 1 7.090 . . 2 . . . A 21 TRP HZ3 . 17661 1 140 . 1 1 21 21 TRP HH2 H 1 7.174 . . 1 . . . A 21 TRP HH2 . 17661 1 141 . 1 1 22 22 VAL H H 1 7.795 . . 1 . . . A 22 VAL H . 17661 1 142 . 1 1 22 22 VAL HA H 1 3.958 . . 1 . . . A 22 VAL HA . 17661 1 143 . 1 1 22 22 VAL HB H 1 1.885 . . 1 . . . A 22 VAL HB . 17661 1 144 . 1 1 22 22 VAL HG11 H 1 0.801 . . 4 . . . A 22 VAL HG11 . 17661 1 145 . 1 1 22 22 VAL HG12 H 1 0.801 . . 4 . . . A 22 VAL HG12 . 17661 1 146 . 1 1 22 22 VAL HG13 H 1 0.801 . . 4 . . . A 22 VAL HG13 . 17661 1 147 . 1 1 22 22 VAL HG21 H 1 0.801 . . 2 . . . A 22 VAL HG21 . 17661 1 148 . 1 1 22 22 VAL HG22 H 1 0.801 . . 2 . . . A 22 VAL HG22 . 17661 1 149 . 1 1 22 22 VAL HG23 H 1 0.801 . . 2 . . . A 22 VAL HG23 . 17661 1 150 . 1 1 23 23 ASN H H 1 8.308 . . 1 . . . A 23 ASN H . 17661 1 151 . 1 1 23 23 ASN HA H 1 4.510 . . 1 . . . A 23 ASN HA . 17661 1 152 . 1 1 23 23 ASN HB2 H 1 2.768 . . 2 . . . A 23 ASN HB2 . 17661 1 153 . 1 1 23 23 ASN HB3 H 1 2.620 . . 2 . . . A 23 ASN HB3 . 17661 1 154 . 1 1 23 23 ASN HD21 H 1 6.891 . . 2 . . . A 23 ASN HD21 . 17661 1 155 . 1 1 23 23 ASN HD22 H 1 7.549 . . 2 . . . A 23 ASN HD22 . 17661 1 156 . 1 1 24 24 ARG H H 1 8.214 . . 1 . . . A 24 ARG H . 17661 1 157 . 1 1 24 24 ARG HA H 1 4.282 . . 1 . . . A 24 ARG HA . 17661 1 158 . 1 1 24 24 ARG HB2 H 1 1.821 . . 2 . . . A 24 ARG HB2 . 17661 1 159 . 1 1 24 24 ARG HB3 H 1 1.667 . . 2 . . . A 24 ARG HB3 . 17661 1 160 . 1 1 24 24 ARG HG2 H 1 1.533 . . 2 . . . A 24 ARG HG2 . 17661 1 161 . 1 1 24 24 ARG HG3 H 1 1.533 . . 2 . . . A 24 ARG HG3 . 17661 1 162 . 1 1 24 24 ARG HD2 H 1 3.068 . . 2 . . . A 24 ARG HD2 . 17661 1 163 . 1 1 24 24 ARG HD3 H 1 3.068 . . 2 . . . A 24 ARG HD3 . 17661 1 164 . 1 1 24 24 ARG HE H 1 7.069 . . 1 . . . A 24 ARG HE . 17661 1 165 . 1 1 25 25 ASN H H 1 8.279 . . 1 . . . A 25 ASN H . 17661 1 166 . 1 1 25 25 ASN HA H 1 4.649 . . 1 . . . A 25 ASN HA . 17661 1 167 . 1 1 25 25 ASN HB2 H 1 2.816 . . 2 . . . A 25 ASN HB2 . 17661 1 168 . 1 1 25 25 ASN HB3 H 1 2.750 . . 2 . . . A 25 ASN HB3 . 17661 1 169 . 1 1 25 25 ASN HD21 H 1 6.846 . . 2 . . . A 25 ASN HD21 . 17661 1 170 . 1 1 25 25 ASN HD22 H 1 7.537 . . 2 . . . A 25 ASN HD22 . 17661 1 stop_ save_