################################### # 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 20110 _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' . . . 20110 1 2 '2D 1H-15N HSQC' . . . 20110 1 3 '2D 1H-13C HSQC' . . . 20110 1 4 '2D 1H-1H NOESY' . . . 20110 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 2 2 ALA H H 1 8.350 0.02 . 1 . . . . 2 ALA HN . 20110 1 2 . 1 1 2 2 ALA HA H 1 3.967 0.02 . 1 . . . . 2 ALA HA . 20110 1 3 . 1 1 2 2 ALA HB1 H 1 1.143 0.02 . 1 . . . . 2 ALA QB . 20110 1 4 . 1 1 2 2 ALA HB2 H 1 1.143 0.02 . 1 . . . . 2 ALA QB . 20110 1 5 . 1 1 2 2 ALA HB3 H 1 1.143 0.02 . 1 . . . . 2 ALA QB . 20110 1 6 . 1 1 3 3 TYU H1' H 1 5.912 0.02 . 1 . . . . 3 TYU H1' . 20110 1 7 . 1 1 3 3 TYU H2' H 1 4.291 0.02 . 1 . . . . 3 TYU H2' . 20110 1 8 . 1 1 3 3 TYU H3' H 1 4.279 0.02 . 1 . . . . 3 TYU H3' . 20110 1 9 . 1 1 3 3 TYU H4' H 1 4.269 0.02 . 1 . . . . 3 TYU H4' . 20110 1 10 . 1 1 3 3 TYU H5 H 1 5.610 0.02 . 1 . . . . 3 TYU H5 . 20110 1 11 . 1 1 3 3 TYU H5' H 1 3.634 0.02 . 1 . . . . 3 TYU H5' . 20110 1 12 . 1 1 3 3 TYU H5'' H 1 3.624 0.02 . 1 . . . . 3 TYU H5'' . 20110 1 13 . 1 1 3 3 TYU H6 H 1 7.669 0.02 . 1 . . . . 3 TYU H6 . 20110 1 14 . 1 1 3 3 TYU HA H 1 4.652 0.02 . 1 . . . . 3 TYU HA . 20110 1 15 . 1 1 3 3 TYU HB2 H 1 3.066 0.02 . 1 . . . . 3 TYU HB2 . 20110 1 16 . 1 1 3 3 TYU HB3 H 1 2.972 0.02 . 1 . . . . 3 TYU HB3 . 20110 1 17 . 1 1 3 3 TYU HD1 H 1 7.139 0.02 . 1 . . . . 3 TYU HD1 . 20110 1 18 . 1 1 3 3 TYU HD2 H 1 7.134 0.02 . 1 . . . . 3 TYU HD2 . 20110 1 19 . 1 1 3 3 TYU HE1 H 1 7.064 0.02 . 1 . . . . 3 TYU HE1 . 20110 1 20 . 1 1 3 3 TYU HE2 H 1 7.014 0.02 . 1 . . . . 3 TYU HE2 . 20110 1 21 . 1 1 3 3 TYU HN H 1 8.533 0.02 . 1 . . . . 3 TYU HN . 20110 1 22 . 1 1 3 3 TYU HO2' H 1 6.680 0.02 . 1 . . . . 3 TYU HO2' . 20110 1 23 . 1 1 4 4 THR H H 1 8.214 0.02 . 1 . . . . 4 THR HN . 20110 1 24 . 1 1 4 4 THR HA H 1 4.246 0.02 . 1 . . . . 4 THR HA . 20110 1 25 . 1 1 4 4 THR HB H 1 4.150 0.02 . 1 . . . . 4 THR HB . 20110 1 26 . 1 1 4 4 THR HG21 H 1 1.153 0.02 . 1 . . . . 4 THR HG21 . 20110 1 27 . 1 1 4 4 THR HG22 H 1 1.153 0.02 . 1 . . . . 4 THR HG21 . 20110 1 28 . 1 1 4 4 THR HG23 H 1 1.153 0.02 . 1 . . . . 4 THR HG21 . 20110 1 29 . 1 1 5 5 GLY H H 1 8.030 0.02 . 1 . . . . 5 GLY HN . 20110 1 30 . 1 1 5 5 GLY HA2 H 1 3.881 0.02 . 1 . . . . 5 GLY HA1 . 20110 1 31 . 1 1 6 6 LEU H H 1 8.224 0.02 . 1 . . . . 6 LEU HN . 20110 1 32 . 1 1 6 6 LEU HA H 1 4.594 0.02 . 1 . . . . 6 LEU HA . 20110 1 33 . 1 1 6 6 LEU HB2 H 1 1.726 0.02 . 1 . . . . 6 LEU HB2 . 20110 1 34 . 1 1 6 6 LEU HB3 H 1 1.581 0.02 . 1 . . . . 6 LEU HB3 . 20110 1 35 . 1 1 6 6 LEU HD11 H 1 0.912 0.02 . 1 . . . . 6 LEU QD1 . 20110 1 36 . 1 1 6 6 LEU HD12 H 1 0.912 0.02 . 1 . . . . 6 LEU QD1 . 20110 1 37 . 1 1 6 6 LEU HD13 H 1 0.912 0.02 . 1 . . . . 6 LEU QD1 . 20110 1 38 . 1 1 6 6 LEU HD21 H 1 0.930 0.02 . 1 . . . . 6 LEU QD2 . 20110 1 39 . 1 1 6 6 LEU HD22 H 1 0.930 0.02 . 1 . . . . 6 LEU QD2 . 20110 1 40 . 1 1 6 6 LEU HD23 H 1 0.930 0.02 . 1 . . . . 6 LEU QD2 . 20110 1 41 . 1 1 6 6 LEU HG H 1 1.521 0.02 . 1 . . . . 6 LEU HG . 20110 1 42 . 1 1 7 7 PRO HA H 1 4.378 0.02 . 1 . . . . 7 PRO HA . 20110 1 43 . 1 1 7 7 PRO HB2 H 1 2.244 0.02 . 1 . . . . 7 PRO QB . 20110 1 44 . 1 1 7 7 PRO HB3 H 1 2.244 0.02 . 1 . . . . 7 PRO QB . 20110 1 45 . 1 1 7 7 PRO HD2 H 1 3.829 0.02 . 1 . . . . 7 PRO HD2 . 20110 1 46 . 1 1 7 7 PRO HD3 H 1 3.613 0.02 . 1 . . . . 7 PRO HD3 . 20110 1 47 . 1 1 7 7 PRO HG2 H 1 1.984 0.02 . 1 . . . . 7 PRO HG2 . 20110 1 48 . 1 1 8 8 ASN H H 1 8.565 0.02 . 1 . . . . 8 ASN HN . 20110 1 49 . 1 1 8 8 ASN HA H 1 4.596 0.02 . 1 . . . . 8 ASN HA . 20110 1 50 . 1 1 8 8 ASN HB2 H 1 2.748 0.02 . 1 . . . . 8 ASN QB . 20110 1 51 . 1 1 8 8 ASN HB3 H 1 2.748 0.02 . 1 . . . . 8 ASN QB . 20110 1 52 . 1 1 8 8 ASN HD21 H 1 7.681 0.02 . 1 . . . . 8 ASN HD21 . 20110 1 53 . 1 1 8 8 ASN HD22 H 1 6.982 0.02 . 1 . . . . 8 ASN HD22 . 20110 1 54 . 1 1 9 9 LYS H H 1 8.329 0.02 . 1 . . . . 9 LYS HN . 20110 1 55 . 1 1 9 9 LYS HA H 1 4.337 0.02 . 1 . . . . 9 LYS HA . 20110 1 56 . 1 1 9 9 LYS HB2 H 1 1.645 0.02 . 1 . . . . 9 LYS HB2 . 20110 1 57 . 1 1 9 9 LYS HD2 H 1 1.696 0.02 . 1 . . . . 9 LYS QD . 20110 1 58 . 1 1 9 9 LYS HD3 H 1 1.696 0.02 . 1 . . . . 9 LYS QD . 20110 1 59 . 1 1 9 9 LYS HE2 H 1 2.953 0.02 . 1 . . . . 9 LYS QE . 20110 1 60 . 1 1 9 9 LYS HE3 H 1 2.953 0.02 . 1 . . . . 9 LYS QE . 20110 1 61 . 1 1 9 9 LYS HG2 H 1 1.353 0.02 . 1 . . . . 9 LYS QG . 20110 1 62 . 1 1 9 9 LYS HG3 H 1 1.353 0.02 . 1 . . . . 9 LYS QG . 20110 1 63 . 1 1 10 10 LYS H H 1 8.488 0.02 . 1 . . . . 10 LYS HN . 20110 1 64 . 1 1 10 10 LYS HA H 1 4.544 0.02 . 1 . . . . 10 LYS HA . 20110 1 65 . 1 1 10 10 LYS HB2 H 1 1.804 0.02 . 1 . . . . 10 LYS QB . 20110 1 66 . 1 1 10 10 LYS HB3 H 1 1.804 0.02 . 1 . . . . 10 LYS QB . 20110 1 67 . 1 1 10 10 LYS HD2 H 1 1.694 0.02 . 1 . . . . 10 LYS QD . 20110 1 68 . 1 1 10 10 LYS HD3 H 1 1.694 0.02 . 1 . . . . 10 LYS QD . 20110 1 69 . 1 1 10 10 LYS HE2 H 1 2.975 0.02 . 1 . . . . 10 LYS QE . 20110 1 70 . 1 1 10 10 LYS HE3 H 1 2.975 0.02 . 1 . . . . 10 LYS QE . 20110 1 71 . 1 1 10 10 LYS HG2 H 1 1.473 0.02 . 1 . . . . 10 LYS QG . 20110 1 72 . 1 1 10 10 LYS HG3 H 1 1.473 0.02 . 1 . . . . 10 LYS QG . 20110 1 73 . 1 1 11 11 PRO HA H 1 4.125 0.02 . 1 . . . . 11 PRO HA . 20110 1 74 . 1 1 11 11 PRO HB2 H 1 2.261 0.02 . 1 . . . . 11 PRO HB2 . 20110 1 75 . 1 1 11 11 PRO HB3 H 1 2.048 0.02 . 1 . . . . 11 PRO HB3 . 20110 1 76 . 1 1 11 11 PRO HD2 H 1 3.791 0.02 . 1 . . . . 11 PRO QD . 20110 1 77 . 1 1 11 11 PRO HD3 H 1 3.791 0.02 . 1 . . . . 11 PRO QD . 20110 1 78 . 1 1 11 11 PRO HG2 H 1 1.903 0.02 . 1 . . . . 11 PRO QG . 20110 1 79 . 1 1 11 11 PRO HG3 H 1 1.903 0.02 . 1 . . . . 11 PRO QG . 20110 1 80 . 1 1 12 12 ASN H H 1 8.686 0.02 . 1 . . . . 12 ASN HN . 20110 1 81 . 1 1 12 12 ASN HA H 1 4.624 0.02 . 1 . . . . 12 ASN HA . 20110 1 82 . 1 1 12 12 ASN HB2 H 1 2.740 0.02 . 1 . . . . 12 ASN HB2 . 20110 1 83 . 1 1 12 12 ASN HB3 H 1 2.694 0.02 . 1 . . . . 12 ASN HB3 . 20110 1 84 . 1 1 12 12 ASN HD21 H 1 7.700 0.02 . 1 . . . . 12 ASN HD21 . 20110 1 85 . 1 1 12 12 ASN HD22 H 1 6.992 0.02 . 1 . . . . 12 ASN HD22 . 20110 1 86 . 1 1 13 13 VAL H H 1 8.212 0.02 . 1 . . . . 13 VAL HN . 20110 1 87 . 1 1 13 13 VAL HA H 1 4.424 0.02 . 1 . . . . 13 VAL HA . 20110 1 88 . 1 1 13 13 VAL HB H 1 2.057 0.02 . 1 . . . . 13 VAL HB . 20110 1 89 . 1 1 13 13 VAL HG11 H 1 0.944 0.02 . 1 . . . . 13 VAL QG1 . 20110 1 90 . 1 1 13 13 VAL HG12 H 1 0.944 0.02 . 1 . . . . 13 VAL QG1 . 20110 1 91 . 1 1 13 13 VAL HG13 H 1 0.944 0.02 . 1 . . . . 13 VAL QG1 . 20110 1 92 . 1 1 13 13 VAL HG21 H 1 0.893 0.02 . 1 . . . . 13 VAL QG2 . 20110 1 93 . 1 1 13 13 VAL HG22 H 1 0.893 0.02 . 1 . . . . 13 VAL QG2 . 20110 1 94 . 1 1 13 13 VAL HG23 H 1 0.893 0.02 . 1 . . . . 13 VAL QG2 . 20110 1 95 . 1 1 14 14 PRO HA H 1 4.443 0.02 . 1 . . . . 14 PRO HA . 20110 1 96 . 1 1 14 14 PRO HB2 H 1 2.281 0.02 . 1 . . . . 14 PRO HB2 . 20110 1 97 . 1 1 14 14 PRO HB3 H 1 2.015 0.02 . 1 . . . . 14 PRO HB3 . 20110 1 98 . 1 1 14 14 PRO HD2 H 1 3.835 0.02 . 1 . . . . 14 PRO HD2 . 20110 1 99 . 1 1 14 14 PRO HD3 H 1 3.674 0.02 . 1 . . . . 14 PRO HD3 . 20110 1 100 . 1 1 14 14 PRO HG2 H 1 1.958 0.02 . 1 . . . . 14 PRO QG . 20110 1 101 . 1 1 14 14 PRO HG3 H 1 1.958 0.02 . 1 . . . . 14 PRO QG . 20110 1 102 . 1 1 15 15 THR H H 1 8.431 0.02 . 1 . . . . 15 THR HN . 20110 1 103 . 1 1 15 15 THR HA H 1 4.238 0.02 . 1 . . . . 15 THR HA . 20110 1 104 . 1 1 15 15 THR HB H 1 4.095 0.02 . 1 . . . . 15 THR HB . 20110 1 105 . 1 1 15 15 THR HG21 H 1 1.185 0.02 . 1 . . . . 15 THR QG2 . 20110 1 106 . 1 1 15 15 THR HG22 H 1 1.185 0.02 . 1 . . . . 15 THR QG2 . 20110 1 107 . 1 1 15 15 THR HG23 H 1 1.185 0.02 . 1 . . . . 15 THR QG2 . 20110 1 108 . 1 1 16 16 ILE H H 1 8.347 0.02 . 1 . . . . 16 ILE HN . 20110 1 109 . 1 1 16 16 ILE HA H 1 4.149 0.02 . 1 . . . . 16 ILE HA . 20110 1 110 . 1 1 16 16 ILE HB H 1 1.816 0.02 . 1 . . . . 16 ILE HB . 20110 1 111 . 1 1 16 16 ILE HD11 H 1 0.819 0.02 . 1 . . . . 16 ILE QD1 . 20110 1 112 . 1 1 16 16 ILE HD12 H 1 0.819 0.02 . 1 . . . . 16 ILE QD1 . 20110 1 113 . 1 1 16 16 ILE HD13 H 1 0.819 0.02 . 1 . . . . 16 ILE QD1 . 20110 1 114 . 1 1 16 16 ILE HG12 H 1 1.156 0.02 . 1 . . . . 16 ILE QG1 . 20110 1 115 . 1 1 16 16 ILE HG13 H 1 1.156 0.02 . 1 . . . . 16 ILE QG1 . 20110 1 116 . 1 1 16 16 ILE HG21 H 1 0.864 0.02 . 1 . . . . 16 ILE QG2 . 20110 1 117 . 1 1 16 16 ILE HG22 H 1 0.864 0.02 . 1 . . . . 16 ILE QG2 . 20110 1 118 . 1 1 16 16 ILE HG23 H 1 0.864 0.02 . 1 . . . . 16 ILE QG2 . 20110 1 119 . 1 1 17 17 ARG H H 1 8.627 0.02 . 1 . . . . 17 ARG HN . 20110 1 120 . 1 1 17 17 ARG HA H 1 4.401 0.02 . 1 . . . . 17 ARG HA . 20110 1 121 . 1 1 17 17 ARG HB2 H 1 1.824 0.02 . 1 . . . . 17 ARG HB2 . 20110 1 122 . 1 1 17 17 ARG HB3 H 1 1.734 0.02 . 1 . . . . 17 ARG HB3 . 20110 1 123 . 1 1 17 17 ARG HD2 H 1 3.168 0.02 . 1 . . . . 17 ARG QD . 20110 1 124 . 1 1 17 17 ARG HD3 H 1 3.168 0.02 . 1 . . . . 17 ARG QD . 20110 1 125 . 1 1 17 17 ARG HE H 1 6.896 0.02 . 1 . . . . 17 ARG HE . 20110 1 126 . 1 1 17 17 ARG HG2 H 1 1.620 0.02 . 1 . . . . 17 ARG HG2 . 20110 1 127 . 1 1 17 17 ARG HG3 H 1 1.569 0.02 . 1 . . . . 17 ARG HG3 . 20110 1 128 . 1 1 17 17 ARG HH21 H 1 6.896 0.02 . 1 . . . . 17 ARG QH2 . 20110 1 129 . 1 1 17 17 ARG HH22 H 1 6.896 0.02 . 1 . . . . 17 ARG QH2 . 20110 1 130 . 1 1 18 18 THR H H 1 8.294 0.02 . 1 . . . . 18 THR HN . 20110 1 131 . 1 1 18 18 THR HA H 1 4.268 0.02 . 1 . . . . 18 THR HA . 20110 1 132 . 1 1 18 18 THR HB H 1 4.159 0.02 . 1 . . . . 18 THR HB . 20110 1 133 . 1 1 18 18 THR HG21 H 1 1.161 0.02 . 1 . . . . 18 THR QG2 . 20110 1 134 . 1 1 18 18 THR HG22 H 1 1.161 0.02 . 1 . . . . 18 THR QG2 . 20110 1 135 . 1 1 18 18 THR HG23 H 1 1.161 0.02 . 1 . . . . 18 THR QG2 . 20110 1 136 . 1 1 18 18 THR N N 15 116.578 0.02 . 1 . . . . 18 THR N . 20110 1 137 . 1 1 19 19 ALA H H 1 8.553 0.02 . 1 . . . . 19 ALA HN . 20110 1 138 . 1 1 19 19 ALA HA H 1 4.175 0.02 . 1 . . . . 19 ALA HA . 20110 1 139 . 1 1 19 19 ALA HB1 H 1 1.216 0.02 . 1 . . . . 19 ALA QB . 20110 1 140 . 1 1 19 19 ALA HB2 H 1 1.216 0.02 . 1 . . . . 19 ALA QB . 20110 1 141 . 1 1 19 19 ALA HB3 H 1 1.216 0.02 . 1 . . . . 19 ALA QB . 20110 1 142 . 1 1 20 20 LYS H H 1 8.429 0.02 . 1 . . . . 20 LYS HN . 20110 1 143 . 1 1 20 20 LYS HA H 1 4.270 0.02 . 1 . . . . 20 LYS HA . 20110 1 144 . 1 1 20 20 LYS HB2 H 1 1.829 0.02 . 1 . . . . 20 LYS HB2 . 20110 1 145 . 1 1 20 20 LYS HB3 H 1 1.769 0.02 . 1 . . . . 20 LYS HB3 . 20110 1 146 . 1 1 20 20 LYS HD2 H 1 1.722 0.02 . 1 . . . . 20 LYS QD . 20110 1 147 . 1 1 20 20 LYS HD3 H 1 1.722 0.02 . 1 . . . . 20 LYS QD . 20110 1 148 . 1 1 20 20 LYS HE2 H 1 2.955 0.02 . 1 . . . . 20 LYS QE . 20110 1 149 . 1 1 20 20 LYS HE3 H 1 2.955 0.02 . 1 . . . . 20 LYS QE . 20110 1 150 . 1 1 20 20 LYS HG2 H 1 1.410 0.02 . 1 . . . . 20 LYS QG . 20110 1 151 . 1 1 20 20 LYS HG3 H 1 1.410 0.02 . 1 . . . . 20 LYS QG . 20110 1 152 . 1 1 21 21 VAL H H 1 8.379 0.02 . 1 . . . . 21 VAL HN . 20110 1 153 . 1 1 21 21 VAL HA H 1 4.075 0.02 . 1 . . . . 21 VAL HA . 20110 1 154 . 1 1 21 21 VAL HB H 1 2.047 0.02 . 1 . . . . 21 VAL HB . 20110 1 155 . 1 1 21 21 VAL HG11 H 1 0.924 0.02 . 1 . . . . 21 VAL QG1 . 20110 1 156 . 1 1 21 21 VAL HG12 H 1 0.924 0.02 . 1 . . . . 21 VAL QG1 . 20110 1 157 . 1 1 21 21 VAL HG13 H 1 0.924 0.02 . 1 . . . . 21 VAL QG1 . 20110 1 158 . 1 1 22 22 GLN H H 1 8.135 0.02 . 1 . . . . 22 GLN HN . 20110 1 159 . 1 1 22 22 GLN HA H 1 4.129 0.02 . 1 . . . . 22 GLN HA . 20110 1 160 . 1 1 22 22 GLN HB2 H 1 2.059 0.02 . 1 . . . . 22 GLN HB2 . 20110 1 161 . 1 1 22 22 GLN HB3 H 1 1.909 0.02 . 1 . . . . 22 GLN HB3 . 20110 1 162 . 1 1 22 22 GLN HE21 H 1 7.633 0.02 . 1 . . . . 22 GLN HE21 . 20110 1 163 . 1 1 22 22 GLN HE22 H 1 6.896 0.02 . 1 . . . . 22 GLN HE22 . 20110 1 164 . 1 1 22 22 GLN HG2 H 1 2.265 0.02 . 1 . . . . 22 GLN QG . 20110 1 165 . 1 1 22 22 GLN HG3 H 1 2.265 0.02 . 1 . . . . 22 GLN QG . 20110 1 stop_ save_