################################### # 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Entry_ID 325 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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 $sample_one . 325 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 8 8 LYS H H 1 8.27 . . 1 . . . . . . . . 325 1 2 . 1 1 8 8 LYS HA H 1 3.94 . . 1 . . . . . . . . 325 1 3 . 1 1 12 12 GLU H H 1 8.55 . . 1 . . . . . . . . 325 1 4 . 1 1 12 12 GLU HA H 1 3.75 . . 1 . . . . . . . . 325 1 5 . 1 1 13 13 LYS H H 1 7.7 . . 1 . . . . . . . . 325 1 6 . 1 1 13 13 LYS HA H 1 3.84 . . 1 . . . . . . . . 325 1 7 . 1 1 14 14 TYR H H 1 7.26 . . 1 . . . . . . . . 325 1 8 . 1 1 14 14 TYR HA H 1 4 . . 1 . . . . . . . . 325 1 9 . 1 1 14 14 TYR HB2 H 1 2.43 . . 2 . . . . . . . . 325 1 10 . 1 1 14 14 TYR HB3 H 1 2.82 . . 2 . . . . . . . . 325 1 11 . 1 1 14 14 TYR HD1 H 1 7.42 . . 1 . . . . . . . . 325 1 12 . 1 1 14 14 TYR HD2 H 1 7.42 . . 1 . . . . . . . . 325 1 13 . 1 1 14 14 TYR HE1 H 1 6.74 . . 1 . . . . . . . . 325 1 14 . 1 1 14 14 TYR HE2 H 1 6.74 . . 1 . . . . . . . . 325 1 15 . 1 1 15 15 ALA H H 1 8.32 . . 1 . . . . . . . . 325 1 16 . 1 1 15 15 ALA HA H 1 3.8 . . 1 . . . . . . . . 325 1 17 . 1 1 22 22 ASN H H 1 9.01 . . 1 . . . . . . . . 325 1 18 . 1 1 22 22 ASN HA H 1 4.96 . . 1 . . . . . . . . 325 1 19 . 1 1 24 24 LEU H H 1 9.56 . . 1 . . . . . . . . 325 1 20 . 1 1 24 24 LEU HA H 1 5.48 . . 1 . . . . . . . . 325 1 21 . 1 1 24 24 LEU HB2 H 1 2.03 . . 1 . . . . . . . . 325 1 22 . 1 1 24 24 LEU HB3 H 1 2.03 . . 1 . . . . . . . . 325 1 23 . 1 1 25 25 SER H H 1 10.06 . . 1 . . . . . . . . 325 1 24 . 1 1 25 25 SER HA H 1 4.83 . . 1 . . . . . . . . 325 1 25 . 1 1 26 26 LYS H H 1 8.7 . . 1 . . . . . . . . 325 1 26 . 1 1 26 26 LYS HA H 1 3.45 . . 1 . . . . . . . . 325 1 27 . 1 1 30 30 LYS H H 1 8.4 . . 1 . . . . . . . . 325 1 28 . 1 1 30 30 LYS HA H 1 3.63 . . 1 . . . . . . . . 325 1 29 . 1 1 32 32 LEU H H 1 8.15 . . 1 . . . . . . . . 325 1 30 . 1 1 32 32 LEU HA H 1 2.32 . . 1 . . . . . . . . 325 1 31 . 1 1 33 33 LEU H H 1 8.85 . . 1 . . . . . . . . 325 1 32 . 1 1 33 33 LEU HA H 1 3.84 . . 1 . . . . . . . . 325 1 33 . 1 1 34 34 GLN H H 1 8.68 . . 1 . . . . . . . . 325 1 34 . 1 1 34 34 GLN HA H 1 3.77 . . 1 . . . . . . . . 325 1 35 . 1 1 35 35 THR H H 1 7.53 . . 1 . . . . . . . . 325 1 36 . 1 1 35 35 THR HA H 1 4.05 . . 1 . . . . . . . . 325 1 37 . 1 1 35 35 THR HB H 1 4.14 . . 1 . . . . . . . . 325 1 38 . 1 1 35 35 THR HG21 H 1 1.24 . . 1 . . . . . . . . 325 1 39 . 1 1 35 35 THR HG22 H 1 1.24 . . 1 . . . . . . . . 325 1 40 . 1 1 35 35 THR HG23 H 1 1.24 . . 1 . . . . . . . . 325 1 41 . 1 1 36 36 GLU H H 1 8.39 . . 1 . . . . . . . . 325 1 42 . 1 1 36 36 GLU HA H 1 4.22 . . 1 . . . . . . . . 325 1 43 . 1 1 37 37 PHE H H 1 7.88 . . 1 . . . . . . . . 325 1 44 . 1 1 37 37 PHE HA H 1 5.24 . . 1 . . . . . . . . 325 1 45 . 1 1 37 37 PHE HB2 H 1 2.75 . . 2 . . . . . . . . 325 1 46 . 1 1 37 37 PHE HB3 H 1 3.32 . . 2 . . . . . . . . 325 1 47 . 1 1 37 37 PHE HD1 H 1 7.14 . . 1 . . . . . . . . 325 1 48 . 1 1 37 37 PHE HD2 H 1 7.14 . . 1 . . . . . . . . 325 1 49 . 1 1 37 37 PHE HE1 H 1 7.01 . . 1 . . . . . . . . 325 1 50 . 1 1 37 37 PHE HE2 H 1 7.01 . . 1 . . . . . . . . 325 1 51 . 1 1 37 37 PHE HZ H 1 7.12 . . 1 . . . . . . . . 325 1 52 . 1 1 39 39 SER H H 1 8.52 . . 1 . . . . . . . . 325 1 53 . 1 1 39 39 SER HA H 1 4.17 . . 1 . . . . . . . . 325 1 54 . 1 1 39 39 SER HB2 H 1 3.92 . . 2 . . . . . . . . 325 1 55 . 1 1 39 39 SER HB3 H 1 3.98 . . 2 . . . . . . . . 325 1 56 . 1 1 40 40 LEU H H 1 8 . . 1 . . . . . . . . 325 1 57 . 1 1 41 41 LEU H H 1 7.58 . . 1 . . . . . . . . 325 1 58 . 1 1 41 41 LEU HA H 1 4.42 . . 1 . . . . . . . . 325 1 59 . 1 1 41 41 LEU HB2 H 1 1.85 . . 2 . . . . . . . . 325 1 60 . 1 1 41 41 LEU HB3 H 1 1.66 . . 2 . . . . . . . . 325 1 61 . 1 1 42 42 LYS H H 1 7.37 . . 1 . . . . . . . . 325 1 62 . 1 1 42 42 LYS HA H 1 4.26 . . 1 . . . . . . . . 325 1 63 . 1 1 42 42 LYS HB2 H 1 1.9 . . 2 . . . . . . . . 325 1 64 . 1 1 42 42 LYS HB3 H 1 1.99 . . 2 . . . . . . . . 325 1 65 . 1 1 42 42 LYS HE2 H 1 2.99 . . 1 . . . . . . . . 325 1 66 . 1 1 42 42 LYS HE3 H 1 2.99 . . 1 . . . . . . . . 325 1 67 . 1 1 43 43 GLY H H 1 7.88 . . 1 . . . . . . . . 325 1 68 . 1 1 43 43 GLY HA2 H 1 4.32 . . 2 . . . . . . . . 325 1 69 . 1 1 43 43 GLY HA3 H 1 3.81 . . 2 . . . . . . . . 325 1 70 . 1 1 44 44 PRO HA H 1 4.47 . . 1 . . . . . . . . 325 1 71 . 1 1 44 44 PRO HB2 H 1 2.18 . . 2 . . . . . . . . 325 1 72 . 1 1 44 44 PRO HB3 H 1 2.32 . . 2 . . . . . . . . 325 1 73 . 1 1 44 44 PRO HG2 H 1 1.85 . . 2 . . . . . . . . 325 1 74 . 1 1 44 44 PRO HG3 H 1 1.94 . . 2 . . . . . . . . 325 1 75 . 1 1 44 44 PRO HD2 H 1 3.67 . . 2 . . . . . . . . 325 1 76 . 1 1 44 44 PRO HD3 H 1 3.5 . . 2 . . . . . . . . 325 1 77 . 1 1 45 45 SER H H 1 8.2 . . 1 . . . . . . . . 325 1 78 . 1 1 45 45 SER HA H 1 4.64 . . 1 . . . . . . . . 325 1 79 . 1 1 45 45 SER HB2 H 1 3.75 . . 2 . . . . . . . . 325 1 80 . 1 1 45 45 SER HB3 H 1 3.91 . . 2 . . . . . . . . 325 1 81 . 1 1 46 46 THR H H 1 8.61 . . 1 . . . . . . . . 325 1 82 . 1 1 46 46 THR HA H 1 4.5 . . 1 . . . . . . . . 325 1 83 . 1 1 46 46 THR HB H 1 4.7 . . 1 . . . . . . . . 325 1 84 . 1 1 46 46 THR HG21 H 1 1.32 . . 1 . . . . . . . . 325 1 85 . 1 1 46 46 THR HG22 H 1 1.32 . . 1 . . . . . . . . 325 1 86 . 1 1 46 46 THR HG23 H 1 1.32 . . 1 . . . . . . . . 325 1 87 . 1 1 47 47 LEU H H 1 8.9 . . 1 . . . . . . . . 325 1 88 . 1 1 47 47 LEU HA H 1 4 . . 1 . . . . . . . . 325 1 89 . 1 1 48 48 ASP H H 1 8.1 . . 1 . . . . . . . . 325 1 90 . 1 1 48 48 ASP HA H 1 4.17 . . 1 . . . . . . . . 325 1 91 . 1 1 48 48 ASP HB2 H 1 2.49 . . 2 . . . . . . . . 325 1 92 . 1 1 48 48 ASP HB3 H 1 2.69 . . 2 . . . . . . . . 325 1 93 . 1 1 49 49 GLU H H 1 7.64 . . 1 . . . . . . . . 325 1 94 . 1 1 49 49 GLU HA H 1 4 . . 1 . . . . . . . . 325 1 95 . 1 1 50 50 LEU H H 1 8.42 . . 1 . . . . . . . . 325 1 96 . 1 1 50 50 LEU HA H 1 4.17 . . 1 . . . . . . . . 325 1 97 . 1 1 50 50 LEU HB2 H 1 1.75 . . 2 . . . . . . . . 325 1 98 . 1 1 50 50 LEU HB3 H 1 1.6 . . 2 . . . . . . . . 325 1 99 . 1 1 51 51 PHE HD1 H 1 7.11 . . 1 . . . . . . . . 325 1 100 . 1 1 51 51 PHE HD2 H 1 7.11 . . 1 . . . . . . . . 325 1 101 . 1 1 51 51 PHE HE1 H 1 7.12 . . 1 . . . . . . . . 325 1 102 . 1 1 51 51 PHE HE2 H 1 7.12 . . 1 . . . . . . . . 325 1 103 . 1 1 51 51 PHE HZ H 1 7.15 . . 1 . . . . . . . . 325 1 104 . 1 1 52 52 GLU H H 1 7.86 . . 1 . . . . . . . . 325 1 105 . 1 1 52 52 GLU HA H 1 3.96 . . 1 . . . . . . . . 325 1 106 . 1 1 52 52 GLU HB2 H 1 2.08 . . 2 . . . . . . . . 325 1 107 . 1 1 52 52 GLU HB3 H 1 2.11 . . 2 . . . . . . . . 325 1 108 . 1 1 52 52 GLU HG2 H 1 2.35 . . 2 . . . . . . . . 325 1 109 . 1 1 52 52 GLU HG3 H 1 2.46 . . 2 . . . . . . . . 325 1 110 . 1 1 53 53 GLU H H 1 7.76 . . 1 . . . . . . . . 325 1 111 . 1 1 53 53 GLU HA H 1 3.89 . . 1 . . . . . . . . 325 1 112 . 1 1 54 54 LEU H H 1 7.83 . . 1 . . . . . . . . 325 1 113 . 1 1 54 54 LEU HA H 1 4.15 . . 1 . . . . . . . . 325 1 114 . 1 1 54 54 LEU HB2 H 1 1.66 . . 2 . . . . . . . . 325 1 115 . 1 1 54 54 LEU HB3 H 1 1.11 . . 2 . . . . . . . . 325 1 116 . 1 1 55 55 ASP H H 1 8 . . 1 . . . . . . . . 325 1 117 . 1 1 55 55 ASP HA H 1 4.54 . . 1 . . . . . . . . 325 1 118 . 1 1 55 55 ASP HB2 H 1 1.61 . . 2 . . . . . . . . 325 1 119 . 1 1 55 55 ASP HB3 H 1 2.53 . . 2 . . . . . . . . 325 1 120 . 1 1 56 56 LYS H H 1 8.04 . . 1 . . . . . . . . 325 1 121 . 1 1 56 56 LYS HA H 1 4.06 . . 1 . . . . . . . . 325 1 122 . 1 1 58 58 GLY H H 1 7.59 . . 1 . . . . . . . . 325 1 123 . 1 1 58 58 GLY HA2 H 1 3.84 . . 1 . . . . . . . . 325 1 124 . 1 1 58 58 GLY HA3 H 1 3.84 . . 1 . . . . . . . . 325 1 125 . 1 1 60 60 GLY H H 1 10.51 . . 1 . . . . . . . . 325 1 126 . 1 1 60 60 GLY HA2 H 1 4.26 . . 2 . . . . . . . . 325 1 127 . 1 1 60 60 GLY HA3 H 1 3.7 . . 2 . . . . . . . . 325 1 128 . 1 1 61 61 GLU H H 1 7.77 . . 1 . . . . . . . . 325 1 129 . 1 1 61 61 GLU HA H 1 5.13 . . 1 . . . . . . . . 325 1 130 . 1 1 62 62 VAL H H 1 10.32 . . 1 . . . . . . . . 325 1 131 . 1 1 62 62 VAL HA H 1 5.1 . . 1 . . . . . . . . 325 1 132 . 1 1 62 62 VAL HB H 1 2.33 . . 1 . . . . . . . . 325 1 133 . 1 1 62 62 VAL HG11 H 1 .46 . . 2 . . . . . . . . 325 1 134 . 1 1 62 62 VAL HG12 H 1 .46 . . 2 . . . . . . . . 325 1 135 . 1 1 62 62 VAL HG13 H 1 .46 . . 2 . . . . . . . . 325 1 136 . 1 1 62 62 VAL HG21 H 1 1.24 . . 2 . . . . . . . . 325 1 137 . 1 1 62 62 VAL HG22 H 1 1.24 . . 2 . . . . . . . . 325 1 138 . 1 1 62 62 VAL HG23 H 1 1.24 . . 2 . . . . . . . . 325 1 139 . 1 1 63 63 SER H H 1 9.56 . . 1 . . . . . . . . 325 1 140 . 1 1 63 63 SER HA H 1 4.88 . . 1 . . . . . . . . 325 1 141 . 1 1 64 64 PHE H H 1 9.59 . . 1 . . . . . . . . 325 1 142 . 1 1 64 64 PHE HA H 1 3.28 . . 1 . . . . . . . . 325 1 143 . 1 1 64 64 PHE HB2 H 1 2.44 . . 2 . . . . . . . . 325 1 144 . 1 1 64 64 PHE HB3 H 1 2.66 . . 2 . . . . . . . . 325 1 145 . 1 1 64 64 PHE HD1 H 1 6.49 . . 1 . . . . . . . . 325 1 146 . 1 1 64 64 PHE HD2 H 1 6.49 . . 1 . . . . . . . . 325 1 147 . 1 1 64 64 PHE HE1 H 1 7.13 . . 1 . . . . . . . . 325 1 148 . 1 1 64 64 PHE HE2 H 1 7.13 . . 1 . . . . . . . . 325 1 149 . 1 1 64 64 PHE HZ H 1 7.35 . . 1 . . . . . . . . 325 1 150 . 1 1 66 66 GLU H H 1 7.97 . . 1 . . . . . . . . 325 1 151 . 1 1 67 67 PHE H H 1 8.9 . . 1 . . . . . . . . 325 1 152 . 1 1 67 67 PHE HA H 1 3.96 . . 1 . . . . . . . . 325 1 153 . 1 1 68 68 GLN H H 1 7.58 . . 1 . . . . . . . . 325 1 154 . 1 1 68 68 GLN HA H 1 3.46 . . 1 . . . . . . . . 325 1 155 . 1 1 69 69 VAL H H 1 7.06 . . 1 . . . . . . . . 325 1 156 . 1 1 69 69 VAL HA H 1 3.57 . . 1 . . . . . . . . 325 1 157 . 1 1 69 69 VAL HB H 1 1.95 . . 1 . . . . . . . . 325 1 158 . 1 1 69 69 VAL HG11 H 1 .84 . . 2 . . . . . . . . 325 1 159 . 1 1 69 69 VAL HG12 H 1 .84 . . 2 . . . . . . . . 325 1 160 . 1 1 69 69 VAL HG13 H 1 .84 . . 2 . . . . . . . . 325 1 161 . 1 1 69 69 VAL HG21 H 1 1.02 . . 2 . . . . . . . . 325 1 162 . 1 1 69 69 VAL HG22 H 1 1.02 . . 2 . . . . . . . . 325 1 163 . 1 1 69 69 VAL HG23 H 1 1.02 . . 2 . . . . . . . . 325 1 164 . 1 1 70 70 LEU H H 1 7.13 . . 1 . . . . . . . . 325 1 165 . 1 1 70 70 LEU HA H 1 3.77 . . 1 . . . . . . . . 325 1 166 . 1 1 70 70 LEU HB2 H 1 1.31 . . 2 . . . . . . . . 325 1 167 . 1 1 70 70 LEU HB3 H 1 1.21 . . 2 . . . . . . . . 325 1 168 . 1 1 71 71 VAL H H 1 6.98 . . 1 . . . . . . . . 325 1 169 . 1 1 71 71 VAL HA H 1 3.1 . . 1 . . . . . . . . 325 1 170 . 1 1 73 73 LYS H H 1 7.44 . . 1 . . . . . . . . 325 1 171 . 1 1 73 73 LYS HA H 1 4.13 . . 1 . . . . . . . . 325 1 172 . 1 1 73 73 LYS HB2 H 1 1.84 . . 2 . . . . . . . . 325 1 173 . 1 1 73 73 LYS HB3 H 1 1.88 . . 2 . . . . . . . . 325 1 174 . 1 1 73 73 LYS HG2 H 1 1.48 . . 2 . . . . . . . . 325 1 175 . 1 1 73 73 LYS HG3 H 1 1.54 . . 2 . . . . . . . . 325 1 176 . 1 1 73 73 LYS HD2 H 1 1.42 . . 2 . . . . . . . . 325 1 177 . 1 1 73 73 LYS HD3 H 1 1.59 . . 2 . . . . . . . . 325 1 178 . 1 1 73 73 LYS HE2 H 1 2.7 . . 2 . . . . . . . . 325 1 179 . 1 1 73 73 LYS HE3 H 1 2.82 . . 2 . . . . . . . . 325 1 180 . 1 1 74 74 ILE H H 1 7.38 . . 1 . . . . . . . . 325 1 181 . 1 1 74 74 ILE HA H 1 4 . . 1 . . . . . . . . 325 1 182 . 1 1 74 74 ILE HB H 1 1.74 . . 1 . . . . . . . . 325 1 183 . 1 1 74 74 ILE HG12 H 1 1.2 . . 1 . . . . . . . . 325 1 184 . 1 1 74 74 ILE HG13 H 1 1.2 . . 1 . . . . . . . . 325 1 185 . 1 1 74 74 ILE HG21 H 1 .6 . . 1 . . . . . . . . 325 1 186 . 1 1 74 74 ILE HG22 H 1 .6 . . 1 . . . . . . . . 325 1 187 . 1 1 74 74 ILE HG23 H 1 .6 . . 1 . . . . . . . . 325 1 188 . 1 1 74 74 ILE HD11 H 1 .19 . . 1 . . . . . . . . 325 1 189 . 1 1 74 74 ILE HD12 H 1 .19 . . 1 . . . . . . . . 325 1 190 . 1 1 74 74 ILE HD13 H 1 .19 . . 1 . . . . . . . . 325 1 191 . 1 1 75 75 SER H H 1 7.78 . . 1 . . . . . . . . 325 1 192 . 1 1 75 75 SER HA H 1 4.5 . . 1 . . . . . . . . 325 1 193 . 1 1 75 75 SER HB2 H 1 3.86 . . 1 . . . . . . . . 325 1 194 . 1 1 75 75 SER HB3 H 1 3.86 . . 1 . . . . . . . . 325 1 195 . 1 1 76 76 GLN H H 1 7.66 . . 1 . . . . . . . . 325 1 196 . 1 1 76 76 GLN HA H 1 4.15 . . 1 . . . . . . . . 325 1 197 . 1 1 76 76 GLN HB2 H 1 1.96 . . 2 . . . . . . . . 325 1 198 . 1 1 76 76 GLN HB3 H 1 2.12 . . 2 . . . . . . . . 325 1 199 . 1 1 76 76 GLN HG2 H 1 2.32 . . 1 . . . . . . . . 325 1 200 . 1 1 76 76 GLN HG3 H 1 2.32 . . 1 . . . . . . . . 325 1 201 . 1 1 76 76 GLN HE21 H 1 6.8 . . 2 . . . . . . . . 325 1 202 . 1 1 76 76 GLN HE22 H 1 7.5 . . 2 . . . . . . . . 325 1 stop_ save_