################################### # 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 16551 _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' . . . 16551 1 2 '2D 1H-1H NOESY' . . . 16551 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 VAL HB H 1 2.268 0.001 . 1 . . . . 1 V HB . 16551 1 2 . 1 1 1 1 VAL HG11 H 1 1.081 0.000 . 2 . . . . 1 V HG1 . 16551 1 3 . 1 1 1 1 VAL HG12 H 1 1.081 0.000 . 2 . . . . 1 V HG1 . 16551 1 4 . 1 1 1 1 VAL HG13 H 1 1.081 0.000 . 2 . . . . 1 V HG1 . 16551 1 5 . 1 1 1 1 VAL HG21 H 1 0.976 0.000 . 2 . . . . 1 V HG2 . 16551 1 6 . 1 1 1 1 VAL HG22 H 1 0.976 0.000 . 2 . . . . 1 V HG2 . 16551 1 7 . 1 1 1 1 VAL HG23 H 1 0.976 0.000 . 2 . . . . 1 V HG2 . 16551 1 8 . 1 1 2 2 SER H H 1 8.538 0.006 . 1 . . . . 2 S H . 16551 1 9 . 1 1 2 2 SER HA H 1 4.707 0.002 . 1 . . . . 2 S HA . 16551 1 10 . 1 1 2 2 SER HB2 H 1 3.883 0.002 . 2 . . . . 2 S HB2 . 16551 1 11 . 1 1 2 2 SER HB3 H 1 3.883 0.009 . 2 . . . . 2 S HB3 . 16551 1 12 . 1 1 3 3 VAL H H 1 8.131 0.010 . 1 . . . . 3 V H . 16551 1 13 . 1 1 3 3 VAL HA H 1 4.261 0.011 . 1 . . . . 3 V HA . 16551 1 14 . 1 1 3 3 VAL HB H 1 2.130 0.003 . 1 . . . . 3 V HB . 16551 1 15 . 1 1 3 3 VAL HG11 H 1 0.979 0.002 . 2 . . . . 3 V HG1 . 16551 1 16 . 1 1 3 3 VAL HG12 H 1 0.979 0.002 . 2 . . . . 3 V HG1 . 16551 1 17 . 1 1 3 3 VAL HG13 H 1 0.979 0.002 . 2 . . . . 3 V HG1 . 16551 1 18 . 1 1 4 4 ASP H H 1 8.287 0.004 . 1 . . . . 4 D H . 16551 1 19 . 1 1 4 4 ASP HA H 1 5.048 0.011 . 1 . . . . 4 D HA . 16551 1 20 . 1 1 4 4 ASP HB2 H 1 2.966 0.074 . 2 . . . . 4 D HB2 . 16551 1 21 . 1 1 4 4 ASP HB3 H 1 2.965 0.066 . 2 . . . . 4 D HB3 . 16551 1 22 . 1 1 5 5 PRO HB2 H 1 2.343 0.003 . 2 . . . . 5 P HB2 . 16551 1 23 . 1 1 5 5 PRO HB3 H 1 2.218 0.008 . 2 . . . . 5 P HB3 . 16551 1 24 . 1 1 5 5 PRO HD2 H 1 3.919 0.061 . 2 . . . . 5 P HD2 . 16551 1 25 . 1 1 5 5 PRO HD3 H 1 3.840 0.050 . 2 . . . . 5 P HD3 . 16551 1 26 . 1 1 5 5 PRO HG2 H 1 1.978 0.006 . 2 . . . . 5 P HG2 . 16551 1 27 . 1 1 5 5 PRO HG3 H 1 1.861 0.005 . 2 . . . . 5 P HG3 . 16551 1 28 . 1 1 6 6 PHE H H 1 7.773 0.019 . 1 . . . . 6 F H . 16551 1 29 . 1 1 6 6 PHE HA H 1 4.363 0.016 . 1 . . . . 6 F HA . 16551 1 30 . 1 1 6 6 PHE HB2 H 1 3.176 0.010 . 2 . . . . 6 F HB2 . 16551 1 31 . 1 1 6 6 PHE HB3 H 1 3.049 0.014 . 2 . . . . 6 F HB3 . 16551 1 32 . 1 1 6 6 PHE HD1 H 1 7.169 0.099 . 1 . . . . 6 F HD1 . 16551 1 33 . 1 1 6 6 PHE HE1 H 1 7.194 0.049 . 1 . . . . 6 F HE1 . 16551 1 34 . 1 1 6 6 PHE HZ H 1 6.944 0.002 . 1 . . . . 6 F HZ . 16551 1 35 . 1 1 7 7 TYR H H 1 7.544 0.025 . 1 . . . . 7 Y H . 16551 1 36 . 1 1 7 7 TYR HA H 1 4.191 0.013 . 1 . . . . 7 Y HA . 16551 1 37 . 1 1 7 7 TYR HB2 H 1 3.189 0.007 . 2 . . . . 7 Y HB2 . 16551 1 38 . 1 1 7 7 TYR HB3 H 1 3.133 0.006 . 2 . . . . 7 Y HB3 . 16551 1 39 . 1 1 7 7 TYR HD1 H 1 7.061 0.146 . 1 . . . . 7 Y HD1 . 16551 1 40 . 1 1 7 7 TYR HE1 H 1 7.091 0.099 . 1 . . . . 7 Y HE1 . 16551 1 41 . 1 1 8 8 GLU H H 1 7.951 0.029 . 1 . . . . 8 E H . 16551 1 42 . 1 1 8 8 GLU HA H 1 4.071 0.017 . 1 . . . . 8 E HA . 16551 1 43 . 1 1 8 8 GLU HB2 H 1 2.216 0.008 . 2 . . . . 8 E HB2 . 16551 1 44 . 1 1 8 8 GLU HG2 H 1 2.547 0.006 . 2 . . . . 8 E HG2 . 16551 1 45 . 1 1 9 9 MET H H 1 8.057 0.036 . 1 . . . . 9 M H . 16551 1 46 . 1 1 9 9 MET HA H 1 4.170 0.020 . 1 . . . . 9 M HA . 16551 1 47 . 1 1 9 9 MET HB2 H 1 2.239 0.013 . 2 . . . . 9 M HB2 . 16551 1 48 . 1 1 9 9 MET HB3 H 1 2.170 0.014 . 2 . . . . 9 M HB3 . 16551 1 49 . 1 1 9 9 MET HG2 H 1 2.736 0.007 . 2 . . . . 9 M HG2 . 16551 1 50 . 1 1 9 9 MET HG3 H 1 2.556 0.006 . 2 . . . . 9 M HG3 . 16551 1 51 . 1 1 10 10 LEU H H 1 8.006 0.032 . 1 . . . . 10 L H . 16551 1 52 . 1 1 10 10 LEU HA H 1 4.020 0.008 . 1 . . . . 10 L HA . 16551 1 53 . 1 1 10 10 LEU HB2 H 1 1.704 0.011 . 2 . . . . 10 L HB2 . 16551 1 54 . 1 1 10 10 LEU HB3 H 1 1.553 0.011 . 2 . . . . 10 L HB3 . 16551 1 55 . 1 1 10 10 LEU HD11 H 1 0.857 0.012 . 1 . . . . 10 L HD1 . 16551 1 56 . 1 1 10 10 LEU HD12 H 1 0.857 0.012 . 1 . . . . 10 L HD1 . 16551 1 57 . 1 1 10 10 LEU HD13 H 1 0.857 0.012 . 1 . . . . 10 L HD1 . 16551 1 58 . 1 1 10 10 LEU HG H 1 1.505 0.079 . 1 . . . . 10 L HG . 16551 1 59 . 1 1 11 11 ALA H H 1 8.284 0.052 . 1 . . . . 11 A H . 16551 1 60 . 1 1 11 11 ALA HA H 1 4.174 0.167 . 1 . . . . 11 A HA . 16551 1 61 . 1 1 11 11 ALA HB1 H 1 1.431 0.006 . 1 . . . . 11 A HB . 16551 1 62 . 1 1 11 11 ALA HB2 H 1 1.431 0.006 . 1 . . . . 11 A HB . 16551 1 63 . 1 1 11 11 ALA HB3 H 1 1.431 0.006 . 1 . . . . 11 A HB . 16551 1 64 . 1 1 12 12 ALA H H 1 8.097 0.044 . 1 . . . . 12 A H . 16551 1 65 . 1 1 12 12 ALA HA H 1 4.140 0.013 . 1 . . . . 12 A HA . 16551 1 66 . 1 1 12 12 ALA HB1 H 1 1.587 0.008 . 1 . . . . 12 A HB . 16551 1 67 . 1 1 12 12 ALA HB2 H 1 1.587 0.008 . 1 . . . . 12 A HB . 16551 1 68 . 1 1 12 12 ALA HB3 H 1 1.587 0.008 . 1 . . . . 12 A HB . 16551 1 69 . 1 1 13 13 ARG H H 1 8.108 0.037 . 1 . . . . 13 R H . 16551 1 70 . 1 1 13 13 ARG HA H 1 4.028 0.010 . 1 . . . . 13 R HA . 16551 1 71 . 1 1 13 13 ARG HB2 H 1 2.027 0.011 . 2 . . . . 13 R HB2 . 16551 1 72 . 1 1 13 13 ARG HB3 H 1 1.884 0.011 . 2 . . . . 13 R HB3 . 16551 1 73 . 1 1 13 13 ARG HD2 H 1 3.187 0.001 . 2 . . . . 13 R HD2 . 16551 1 74 . 1 1 13 13 ARG HD3 H 1 3.183 0.002 . 2 . . . . 13 R HD3 . 16551 1 75 . 1 1 13 13 ARG HG2 H 1 1.699 0.001 . 2 . . . . 13 R HG2 . 16551 1 76 . 1 1 13 13 ARG HG3 H 1 1.695 0.001 . 2 . . . . 13 R HG3 . 16551 1 77 . 1 1 13 13 ARG HH11 H 1 7.173 0.012 . 2 . . . . 13 R HH11 . 16551 1 78 . 1 1 14 14 LYS H H 1 8.219 0.185 . 1 . . . . 14 K H . 16551 1 79 . 1 1 14 14 LYS HA H 1 4.150 0.120 . 1 . . . . 14 K HA . 16551 1 80 . 1 1 14 14 LYS HB2 H 1 1.783 0.006 . 2 . . . . 14 K HB2 . 16551 1 81 . 1 1 14 14 LYS HB3 H 1 1.700 0.000 . 2 . . . . 14 K HB3 . 16551 1 82 . 1 1 14 14 LYS HD2 H 1 1.618 0.000 . 2 . . . . 14 K HD2 . 16551 1 83 . 1 1 14 14 LYS HD3 H 1 1.569 0.002 . 2 . . . . 14 K HD3 . 16551 1 84 . 1 1 14 14 LYS HE2 H 1 3.037 0.101 . 2 . . . . 14 K HE2 . 16551 1 85 . 1 1 14 14 LYS HG2 H 1 1.434 0.000 . 2 . . . . 14 K HG2 . 16551 1 86 . 1 1 14 14 LYS HG3 H 1 1.426 0.001 . 2 . . . . 14 K HG3 . 16551 1 87 . 1 1 15 15 LYS H H 1 8.254 0.011 . 1 . . . . 15 K H . 16551 1 88 . 1 1 15 15 LYS HA H 1 4.070 0.036 . 1 . . . . 15 K HA . 16551 1 89 . 1 1 15 15 LYS HB2 H 1 2.027 0.009 . 2 . . . . 15 K HB2 . 16551 1 90 . 1 1 15 15 LYS HB3 H 1 1.889 0.000 . 2 . . . . 15 K HB3 . 16551 1 91 . 1 1 15 15 LYS HD2 H 1 1.719 0.015 . 2 . . . . 15 K HD2 . 16551 1 92 . 1 1 15 15 LYS HD3 H 1 1.585 0.011 . 2 . . . . 15 K HD3 . 16551 1 93 . 1 1 15 15 LYS HE2 H 1 3.188 0.000 . 2 . . . . 15 K HE2 . 16551 1 94 . 1 1 15 15 LYS HE3 H 1 2.960 0.003 . 2 . . . . 15 K HE3 . 16551 1 95 . 1 1 15 15 LYS HG2 H 1 1.488 0.000 . 2 . . . . 15 K HG2 . 16551 1 96 . 1 1 15 15 LYS HG3 H 1 1.432 0.000 . 2 . . . . 15 K HG3 . 16551 1 97 . 1 1 16 16 ARG H H 1 8.054 0.061 . 1 . . . . 16 R H . 16551 1 98 . 1 1 16 16 ARG HA H 1 4.087 0.033 . 1 . . . . 16 R HA . 16551 1 99 . 1 1 16 16 ARG HB2 H 1 2.024 0.010 . 2 . . . . 16 R HB2 . 16551 1 100 . 1 1 16 16 ARG HB3 H 1 1.879 0.011 . 2 . . . . 16 R HB3 . 16551 1 101 . 1 1 16 16 ARG HD2 H 1 3.229 0.002 . 2 . . . . 16 R HD2 . 16551 1 102 . 1 1 16 16 ARG HD3 H 1 3.222 0.006 . 2 . . . . 16 R HD3 . 16551 1 103 . 1 1 16 16 ARG HG2 H 1 1.794 0.005 . 2 . . . . 16 R HG2 . 16551 1 104 . 1 1 16 16 ARG HG3 H 1 1.716 0.000 . 2 . . . . 16 R HG3 . 16551 1 105 . 1 1 16 16 ARG HH11 H 1 7.289 0.014 . 2 . . . . 16 R HH11 . 16551 1 106 . 1 1 17 17 ILE H H 1 8.231 0.136 . 1 . . . . 17 I H . 16551 1 107 . 1 1 17 17 ILE HA H 1 4.105 0.237 . 1 . . . . 17 I HA . 16551 1 108 . 1 1 17 17 ILE HB H 1 2.003 0.011 . 2 . . . . 17 I HB . 16551 1 109 . 1 1 17 17 ILE HD11 H 1 0.880 0.024 . 1 . . . . 17 I HD1 . 16551 1 110 . 1 1 17 17 ILE HD12 H 1 0.880 0.024 . 1 . . . . 17 I HD1 . 16551 1 111 . 1 1 17 17 ILE HD13 H 1 0.880 0.024 . 1 . . . . 17 I HD1 . 16551 1 112 . 1 1 17 17 ILE HG12 H 1 1.164 0.056 . 2 . . . . 17 I HG12 . 16551 1 113 . 1 1 17 17 ILE HG13 H 1 0.984 0.004 . 2 . . . . 17 I HG13 . 16551 1 114 . 1 1 17 17 ILE HG21 H 1 1.129 0.102 . 1 . . . . 17 I HG2 . 16551 1 115 . 1 1 17 17 ILE HG22 H 1 1.129 0.102 . 1 . . . . 17 I HG2 . 16551 1 116 . 1 1 17 17 ILE HG23 H 1 1.129 0.102 . 1 . . . . 17 I HG2 . 16551 1 117 . 1 1 18 18 SEP H H 1 8.141 0.103 . 1 . . . . 18 S H . 16551 1 118 . 1 1 18 18 SEP HA H 1 4.419 0.018 . 1 . . . . 18 S HA . 16551 1 119 . 1 1 18 18 SEP HB2 H 1 3.879 0.010 . 2 . . . . 18 S HB2 . 16551 1 120 . 1 1 18 18 SEP HB3 H 1 3.858 0.002 . 2 . . . . 18 S HB3 . 16551 1 121 . 1 1 19 19 VAL H H 1 8.115 0.131 . 1 . . . . 19 V H . 16551 1 122 . 1 1 19 19 VAL HA H 1 3.841 0.020 . 1 . . . . 19 V HA . 16551 1 123 . 1 1 19 19 VAL HB H 1 2.227 0.008 . 1 . . . . 19 V HB . 16551 1 124 . 1 1 19 19 VAL HG11 H 1 1.110 0.004 . 2 . . . . 19 V HG1 . 16551 1 125 . 1 1 19 19 VAL HG12 H 1 1.110 0.004 . 2 . . . . 19 V HG1 . 16551 1 126 . 1 1 19 19 VAL HG13 H 1 1.110 0.004 . 2 . . . . 19 V HG1 . 16551 1 127 . 1 1 19 19 VAL HG21 H 1 0.992 0.003 . 2 . . . . 19 V HG2 . 16551 1 128 . 1 1 19 19 VAL HG22 H 1 0.992 0.003 . 2 . . . . 19 V HG2 . 16551 1 129 . 1 1 19 19 VAL HG23 H 1 0.992 0.003 . 2 . . . . 19 V HG2 . 16551 1 130 . 1 1 20 20 LYS H H 1 8.273 0.123 . 1 . . . . 20 K H . 16551 1 131 . 1 1 20 20 LYS HA H 1 4.196 0.018 . 1 . . . . 20 K HA . 16551 1 132 . 1 1 20 20 LYS HB2 H 1 1.880 0.095 . 2 . . . . 20 K HB2 . 16551 1 133 . 1 1 20 20 LYS HB3 H 1 1.856 0.121 . 2 . . . . 20 K HB3 . 16551 1 134 . 1 1 20 20 LYS HD2 H 1 1.621 0.000 . 2 . . . . 20 K HD2 . 16551 1 135 . 1 1 20 20 LYS HE2 H 1 3.011 0.004 . 2 . . . . 20 K HE2 . 16551 1 136 . 1 1 20 20 LYS HG2 H 1 1.547 0.000 . 2 . . . . 20 K HG2 . 16551 1 137 . 1 1 20 20 LYS HG3 H 1 1.537 0.003 . 2 . . . . 20 K HG3 . 16551 1 138 . 1 1 21 21 LYS H H 1 8.225 0.156 . 1 . . . . 21 K H . 16551 1 139 . 1 1 21 21 LYS HA H 1 4.225 0.037 . 1 . . . . 21 K HA . 16551 1 140 . 1 1 21 21 LYS HB2 H 1 1.928 0.128 . 2 . . . . 21 K HB2 . 16551 1 141 . 1 1 21 21 LYS HB3 H 1 1.962 0.005 . 2 . . . . 21 K HB3 . 16551 1 142 . 1 1 21 21 LYS HD2 H 1 1.785 0.002 . 2 . . . . 21 K HD2 . 16551 1 143 . 1 1 21 21 LYS HD3 H 1 1.652 0.000 . 2 . . . . 21 K HD3 . 16551 1 144 . 1 1 21 21 LYS HE2 H 1 3.030 0.000 . 2 . . . . 21 K HE2 . 16551 1 145 . 1 1 21 21 LYS HG2 H 1 1.559 0.000 . 2 . . . . 21 K HG2 . 16551 1 146 . 1 1 21 21 LYS HG3 H 1 1.519 0.000 . 2 . . . . 21 K HG3 . 16551 1 147 . 1 1 22 22 LYS H H 1 7.943 0.039 . 1 . . . . 22 K H . 16551 1 148 . 1 1 22 22 LYS HA H 1 4.277 0.013 . 1 . . . . 22 K HA . 16551 1 149 . 1 1 22 22 LYS HB2 H 1 1.756 0.004 . 2 . . . . 22 K HB2 . 16551 1 150 . 1 1 22 22 LYS HB3 H 1 1.982 0.000 . 2 . . . . 22 K HB3 . 16551 1 151 . 1 1 22 22 LYS HD2 H 1 1.668 0.054 . 2 . . . . 22 K HD2 . 16551 1 152 . 1 1 22 22 LYS HE2 H 1 3.100 0.047 . 2 . . . . 22 K HE2 . 16551 1 153 . 1 1 22 22 LYS HG2 H 1 1.558 0.024 . 2 . . . . 22 K HG2 . 16551 1 154 . 1 1 23 23 GLN H H 1 8.163 0.048 . 1 . . . . 23 Q H . 16551 1 155 . 1 1 23 23 GLN HA H 1 4.295 0.013 . 1 . . . . 23 Q HA . 16551 1 156 . 1 1 23 23 GLN HB2 H 1 2.221 0.006 . 2 . . . . 23 Q HB2 . 16551 1 157 . 1 1 23 23 GLN HE21 H 1 7.343 0.007 . 2 . . . . 23 Q HE21 . 16551 1 158 . 1 1 23 23 GLN HE22 H 1 6.668 0.001 . 2 . . . . 23 Q HE22 . 16551 1 159 . 1 1 23 23 GLN HG2 H 1 2.537 0.076 . 2 . . . . 23 Q HG2 . 16551 1 160 . 1 1 23 23 GLN HG3 H 1 2.508 0.067 . 2 . . . . 23 Q HG3 . 16551 1 161 . 1 1 24 24 GLU H H 1 8.012 0.005 . 1 . . . . 24 E H . 16551 1 162 . 1 1 24 24 GLU HA H 1 4.592 0.155 . 1 . . . . 24 E HA . 16551 1 163 . 1 1 24 24 GLU HB2 H 1 2.219 0.017 . 2 . . . . 24 E HB2 . 16551 1 164 . 1 1 24 24 GLU HB3 H 1 2.102 0.024 . 2 . . . . 24 E HB3 . 16551 1 165 . 1 1 24 24 GLU HG2 H 1 2.485 0.002 . 2 . . . . 24 E HG2 . 16551 1 166 . 1 1 24 24 GLU HG3 H 1 2.563 0.000 . 2 . . . . 24 E HG3 . 16551 1 167 . 1 1 25 25 GLN H H 1 7.988 0.014 . 1 . . . . 25 Q H . 16551 1 168 . 1 1 25 25 GLN HA H 1 4.478 0.124 . 1 . . . . 25 Q HA . 16551 1 169 . 1 1 25 25 GLN HB2 H 1 2.212 0.009 . 2 . . . . 25 Q HB2 . 16551 1 170 . 1 1 25 25 GLN HB3 H 1 2.097 0.012 . 2 . . . . 25 Q HB3 . 16551 1 171 . 1 1 25 25 GLN HG2 H 1 2.497 0.000 . 2 . . . . 25 Q HG2 . 16551 1 172 . 1 1 25 25 GLN HG3 H 1 2.564 0.000 . 2 . . . . 25 Q HG3 . 16551 1 stop_ save_