################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 6289 _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_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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_1 . 6289 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 GLY HA2 H 1 3.96 0.05 . 2 . . . . . . . . 6289 1 2 . 1 1 1 1 GLY HA3 H 1 3.90 0.05 . 2 . . . . . . . . 6289 1 3 . 1 1 1 1 GLY CA C 13 43.54 0.10 . 1 . . . . . . . . 6289 1 4 . 1 1 2 2 ARG HA H 1 4.14 0.05 . 1 . . . . . . . . 6289 1 5 . 1 1 2 2 ARG HB2 H 1 2.09 0.05 . 2 . . . . . . . . 6289 1 6 . 1 1 2 2 ARG HB3 H 1 1.93 0.05 . 2 . . . . . . . . 6289 1 7 . 1 1 2 2 ARG HG2 H 1 2.27 0.05 . 2 . . . . . . . . 6289 1 8 . 1 1 2 2 ARG CA C 13 56.88 0.10 . 1 . . . . . . . . 6289 1 9 . 1 1 2 2 ARG CB C 13 30.32 0.10 . 1 . . . . . . . . 6289 1 10 . 1 1 2 2 ARG N N 15 125.19 0.10 . 1 . . . . . . . . 6289 1 11 . 1 1 2 2 ARG H H 1 7.91 0.10 . 2 . . . . . . . . 6289 1 12 . 1 1 3 3 ASN HA H 1 4.87 0.05 . 1 . . . . . . . . 6289 1 13 . 1 1 3 3 ASN HB2 H 1 2.52 0.05 . 1 . . . . . . . . 6289 1 14 . 1 1 3 3 ASN HB3 H 1 2.79 0.05 . 1 . . . . . . . . 6289 1 15 . 1 1 3 3 ASN CA C 13 53.65 0.10 . 1 . . . . . . . . 6289 1 16 . 1 1 3 3 ASN CB C 13 40.29 0.10 . 1 . . . . . . . . 6289 1 17 . 1 1 3 3 ASN N N 15 120.13 0.10 . 1 . . . . . . . . 6289 1 18 . 1 1 3 3 ASN H H 1 7.69 0.10 . 1 . . . . . . . . 6289 1 19 . 1 1 4 4 ASP HA H 1 4.97 0.05 . 1 . . . . . . . . 6289 1 20 . 1 1 4 4 ASP HB2 H 1 2.69 0.05 . 1 . . . . . . . . 6289 1 21 . 1 1 4 4 ASP HB3 H 1 2.97 0.05 . 1 . . . . . . . . 6289 1 22 . 1 1 4 4 ASP CA C 13 52.93 0.10 . 1 . . . . . . . . 6289 1 23 . 1 1 4 4 ASP CB C 13 39.30 0.10 . 1 . . . . . . . . 6289 1 24 . 1 1 4 4 ASP N N 15 115.64 0.10 . 1 . . . . . . . . 6289 1 25 . 1 1 4 4 ASP H H 1 7.63 0.10 . 1 . . . . . . . . 6289 1 26 . 1 1 5 5 PRO HA H 1 4.35 0.05 . 1 . . . . . . . . 6289 1 27 . 1 1 5 5 PRO HB2 H 1 2.25 0.05 . 2 . . . . . . . . 6289 1 28 . 1 1 5 5 PRO HB3 H 1 1.76 0.05 . 2 . . . . . . . . 6289 1 29 . 1 1 5 5 PRO HG2 H 1 2.11 0.05 . 2 . . . . . . . . 6289 1 30 . 1 1 5 5 PRO HG3 H 1 1.97 0.05 . 2 . . . . . . . . 6289 1 31 . 1 1 5 5 PRO HD2 H 1 3.91 0.05 . 2 . . . . . . . . 6289 1 32 . 1 1 5 5 PRO HD3 H 1 3.60 0.05 . 2 . . . . . . . . 6289 1 33 . 1 1 5 5 PRO CA C 13 63.30 0.10 . 1 . . . . . . . . 6289 1 34 . 1 1 5 5 PRO CB C 13 32.05 0.10 . 1 . . . . . . . . 6289 1 35 . 1 1 5 5 PRO CG C 13 28.11 0.10 . 1 . . . . . . . . 6289 1 36 . 1 1 5 5 PRO CD C 13 50.70 0.10 . 1 . . . . . . . . 6289 1 37 . 1 1 6 6 CYS HA H 1 4.45 0.05 . 1 . . . . . . . . 6289 1 38 . 1 1 6 6 CYS HB2 H 1 2.43 0.05 . 1 . . . . . . . . 6289 1 39 . 1 1 6 6 CYS HB3 H 1 3.29 0.05 . 1 . . . . . . . . 6289 1 40 . 1 1 6 6 CYS CA C 13 59.78 0.10 . 1 . . . . . . . . 6289 1 41 . 1 1 6 6 CYS CB C 13 30.03 0.10 . 1 . . . . . . . . 6289 1 42 . 1 1 6 6 CYS N N 15 115.64 0.10 . 1 . . . . . . . . 6289 1 43 . 1 1 6 6 CYS H H 1 7.61 0.10 . 1 . . . . . . . . 6289 1 44 . 1 1 7 7 PRO HA H 1 4.45 0.05 . 1 . . . . . . . . 6289 1 45 . 1 1 7 7 PRO HB2 H 1 1.92 0.05 . 2 . . . . . . . . 6289 1 46 . 1 1 7 7 PRO HB3 H 1 2.33 0.05 . 2 . . . . . . . . 6289 1 47 . 1 1 7 7 PRO HG2 H 1 2.42 0.05 . 2 . . . . . . . . 6289 1 48 . 1 1 7 7 PRO HD2 H 1 4.47 0.05 . 2 . . . . . . . . 6289 1 49 . 1 1 7 7 PRO HD3 H 1 4.07 0.05 . 2 . . . . . . . . 6289 1 50 . 1 1 7 7 PRO CA C 13 64.80 0.10 . 1 . . . . . . . . 6289 1 51 . 1 1 7 7 PRO CB C 13 32.47 0.10 . 1 . . . . . . . . 6289 1 52 . 1 1 7 7 PRO CG C 13 29.86 0.10 . 1 . . . . . . . . 6289 1 53 . 1 1 7 7 PRO CD C 13 53.59 0.10 . 1 . . . . . . . . 6289 1 54 . 1 1 8 8 CYS HA H 1 4.60 0.05 . 1 . . . . . . . . 6289 1 55 . 1 1 8 8 CYS HB2 H 1 3.24 0.05 . 1 . . . . . . . . 6289 1 56 . 1 1 8 8 CYS HB3 H 1 2.86 0.05 . 1 . . . . . . . . 6289 1 57 . 1 1 8 8 CYS CA C 13 59.61 0.10 . 1 . . . . . . . . 6289 1 58 . 1 1 8 8 CYS CB C 13 31.25 0.10 . 1 . . . . . . . . 6289 1 59 . 1 1 8 8 CYS N N 15 127.40 0.10 . 1 . . . . . . . . 6289 1 60 . 1 1 8 8 CYS H H 1 9.37 0.10 . 1 . . . . . . . . 6289 1 61 . 1 1 9 9 GLY HA2 H 1 3.92 0.05 . 2 . . . . . . . . 6289 1 62 . 1 1 9 9 GLY HA3 H 1 4.34 0.05 . 2 . . . . . . . . 6289 1 63 . 1 1 9 9 GLY CA C 13 46.20 0.10 . 1 . . . . . . . . 6289 1 64 . 1 1 9 9 GLY N N 15 108.74 0.10 . 1 . . . . . . . . 6289 1 65 . 1 1 9 9 GLY H H 1 7.88 0.10 . 1 . . . . . . . . 6289 1 66 . 1 1 10 10 SER HA H 1 4.18 0.05 . 1 . . . . . . . . 6289 1 67 . 1 1 10 10 SER HB2 H 1 3.94 0.05 . 1 . . . . . . . . 6289 1 68 . 1 1 10 10 SER HB3 H 1 4.22 0.05 . 1 . . . . . . . . 6289 1 69 . 1 1 10 10 SER CA C 13 61.92 0.10 . 1 . . . . . . . . 6289 1 70 . 1 1 10 10 SER CB C 13 63.57 0.10 . 1 . . . . . . . . 6289 1 71 . 1 1 10 10 SER N N 15 118.96 0.10 . 1 . . . . . . . . 6289 1 72 . 1 1 10 10 SER H H 1 8.90 0.10 . 1 . . . . . . . . 6289 1 73 . 1 1 11 11 GLY HA2 H 1 4.36 0.05 . 2 . . . . . . . . 6289 1 74 . 1 1 11 11 GLY HA3 H 1 3.62 0.05 . 2 . . . . . . . . 6289 1 75 . 1 1 11 11 GLY CA C 13 45.19 0.10 . 1 . . . . . . . . 6289 1 76 . 1 1 11 11 GLY N N 15 111.50 0.10 . 1 . . . . . . . . 6289 1 77 . 1 1 11 11 GLY H H 1 9.46 0.10 . 1 . . . . . . . . 6289 1 78 . 1 1 12 12 LYS HA H 1 4.46 0.05 . 1 . . . . . . . . 6289 1 79 . 1 1 12 12 LYS HB2 H 1 1.53 0.05 . 1 . . . . . . . . 6289 1 80 . 1 1 12 12 LYS HB3 H 1 1.84 0.05 . 1 . . . . . . . . 6289 1 81 . 1 1 12 12 LYS HG2 H 1 1.98 0.05 . 2 . . . . . . . . 6289 1 82 . 1 1 12 12 LYS HG3 H 1 1.94 0.05 . 2 . . . . . . . . 6289 1 83 . 1 1 12 12 LYS HD2 H 1 1.41 0.05 . 2 . . . . . . . . 6289 1 84 . 1 1 12 12 LYS HE2 H 1 3.02 0.05 . 2 . . . . . . . . 6289 1 85 . 1 1 12 12 LYS CA C 13 55.04 0.10 . 1 . . . . . . . . 6289 1 86 . 1 1 12 12 LYS CB C 13 35.02 0.10 . 1 . . . . . . . . 6289 1 87 . 1 1 12 12 LYS CG C 13 27.43 0.10 . 1 . . . . . . . . 6289 1 88 . 1 1 12 12 LYS CE C 13 42.22 0.10 . 1 . . . . . . . . 6289 1 89 . 1 1 12 12 LYS N N 15 119.61 0.10 . 1 . . . . . . . . 6289 1 90 . 1 1 12 12 LYS H H 1 7.87 0.10 . 1 . . . . . . . . 6289 1 91 . 1 1 13 13 LYS HA H 1 4.24 0.05 . 1 . . . . . . . . 6289 1 92 . 1 1 13 13 LYS HB2 H 1 1.58 0.05 . 2 . . . . . . . . 6289 1 93 . 1 1 13 13 LYS HB3 H 1 2.01 0.05 . 2 . . . . . . . . 6289 1 94 . 1 1 13 13 LYS HG2 H 1 1.69 0.05 . 2 . . . . . . . . 6289 1 95 . 1 1 13 13 LYS HG3 H 1 1.41 0.05 . 2 . . . . . . . . 6289 1 96 . 1 1 13 13 LYS CA C 13 59.34 0.10 . 1 . . . . . . . . 6289 1 97 . 1 1 13 13 LYS CB C 13 33.49 0.10 . 1 . . . . . . . . 6289 1 98 . 1 1 13 13 LYS CG C 13 25.91 0.10 . 1 . . . . . . . . 6289 1 99 . 1 1 13 13 LYS N N 15 119.07 0.10 . 1 . . . . . . . . 6289 1 100 . 1 1 13 13 LYS H H 1 8.59 0.10 . 1 . . . . . . . . 6289 1 101 . 1 1 14 14 TYR HA H 1 4.51 0.05 . 1 . . . . . . . . 6289 1 102 . 1 1 14 14 TYR HB2 H 1 3.25 0.05 . 1 . . . . . . . . 6289 1 103 . 1 1 14 14 TYR HB3 H 1 3.19 0.05 . 1 . . . . . . . . 6289 1 104 . 1 1 14 14 TYR HD1 H 1 7.55 0.05 . 3 . . . . . . . . 6289 1 105 . 1 1 14 14 TYR HE1 H 1 6.79 0.05 . 3 . . . . . . . . 6289 1 106 . 1 1 14 14 TYR CA C 13 62.49 0.10 . 1 . . . . . . . . 6289 1 107 . 1 1 14 14 TYR CB C 13 38.95 0.10 . 1 . . . . . . . . 6289 1 108 . 1 1 14 14 TYR N N 15 124.01 0.10 . 1 . . . . . . . . 6289 1 109 . 1 1 14 14 TYR H H 1 9.31 0.10 . 1 . . . . . . . . 6289 1 110 . 1 1 15 15 LYS HA H 1 3.75 0.05 . 1 . . . . . . . . 6289 1 111 . 1 1 15 15 LYS HB2 H 1 1.96 0.05 . 2 . . . . . . . . 6289 1 112 . 1 1 15 15 LYS HB3 H 1 1.80 0.05 . 2 . . . . . . . . 6289 1 113 . 1 1 15 15 LYS HG2 H 1 1.39 0.05 . 2 . . . . . . . . 6289 1 114 . 1 1 15 15 LYS HG3 H 1 1.29 0.05 . 2 . . . . . . . . 6289 1 115 . 1 1 15 15 LYS HE2 H 1 2.97 0.05 . 2 . . . . . . . . 6289 1 116 . 1 1 15 15 LYS CA C 13 58.34 0.10 . 1 . . . . . . . . 6289 1 117 . 1 1 15 15 LYS CB C 13 31.75 0.10 . 1 . . . . . . . . 6289 1 118 . 1 1 15 15 LYS CG C 13 24.94 0.10 . 1 . . . . . . . . 6289 1 119 . 1 1 15 15 LYS CE C 13 42.18 0.10 . 1 . . . . . . . . 6289 1 120 . 1 1 15 15 LYS N N 15 123.71 0.10 . 1 . . . . . . . . 6289 1 121 . 1 1 15 15 LYS H H 1 8.80 0.10 . 1 . . . . . . . . 6289 1 122 . 1 1 16 16 GLN HA H 1 4.42 0.05 . 1 . . . . . . . . 6289 1 123 . 1 1 16 16 GLN HB2 H 1 1.98 0.05 . 1 . . . . . . . . 6289 1 124 . 1 1 16 16 GLN HB3 H 1 2.34 0.05 . 1 . . . . . . . . 6289 1 125 . 1 1 16 16 GLN HG2 H 1 2.42 0.05 . 2 . . . . . . . . 6289 1 126 . 1 1 16 16 GLN HG3 H 1 2.22 0.05 . 2 . . . . . . . . 6289 1 127 . 1 1 16 16 GLN CA C 13 59.78 0.10 . 1 . . . . . . . . 6289 1 128 . 1 1 16 16 GLN CB C 13 30.35 0.10 . 1 . . . . . . . . 6289 1 129 . 1 1 16 16 GLN CG C 13 34.64 0.10 . 1 . . . . . . . . 6289 1 130 . 1 1 16 16 GLN N N 15 114.96 0.10 . 1 . . . . . . . . 6289 1 131 . 1 1 16 16 GLN H H 1 7.50 0.10 . 1 . . . . . . . . 6289 1 132 . 1 1 17 17 CYS HA H 1 4.50 0.05 . 1 . . . . . . . . 6289 1 133 . 1 1 17 17 CYS HB2 H 1 2.53 0.05 . 1 . . . . . . . . 6289 1 134 . 1 1 17 17 CYS HB3 H 1 3.01 0.05 . 1 . . . . . . . . 6289 1 135 . 1 1 17 17 CYS CA C 13 60.34 0.10 . 1 . . . . . . . . 6289 1 136 . 1 1 17 17 CYS CB C 13 29.88 0.10 . 1 . . . . . . . . 6289 1 137 . 1 1 17 17 CYS N N 15 126.14 0.10 . 1 . . . . . . . . 6289 1 138 . 1 1 17 17 CYS H H 1 7.78 0.10 . 1 . . . . . . . . 6289 1 139 . 1 1 18 18 HIS HA H 1 4.23 0.05 . 1 . . . . . . . . 6289 1 140 . 1 1 18 18 HIS HB2 H 1 3.10 0.05 . 1 . . . . . . . . 6289 1 141 . 1 1 18 18 HIS HB3 H 1 3.44 0.05 . 1 . . . . . . . . 6289 1 142 . 1 1 18 18 HIS HD1 H 1 7.34 0.05 . 1 . . . . . . . . 6289 1 143 . 1 1 18 18 HIS HE1 H 1 7.98 0.05 . 1 . . . . . . . . 6289 1 144 . 1 1 18 18 HIS CA C 13 56.66 0.10 . 1 . . . . . . . . 6289 1 145 . 1 1 18 18 HIS CB C 13 26.69 0.10 . 1 . . . . . . . . 6289 1 146 . 1 1 18 18 HIS H H 1 8.85 0.10 . 1 . . . . . . . . 6289 1 147 . 1 1 18 18 HIS N N 15 114.75 0.10 . 1 . . . . . . . . 6289 1 148 . 1 1 19 19 GLY HA2 H 1 3.88 0.05 . 2 . . . . . . . . 6289 1 149 . 1 1 19 19 GLY HA3 H 1 1.95 0.05 . 2 . . . . . . . . 6289 1 150 . 1 1 19 19 GLY CA C 13 44.67 0.10 . 1 . . . . . . . . 6289 1 151 . 1 1 19 19 GLY N N 15 108.74 0.10 . 1 . . . . . . . . 6289 1 152 . 1 1 19 19 GLY H H 1 7.90 0.10 . 1 . . . . . . . . 6289 1 153 . 1 1 20 20 ARG HA H 1 4.16 0.05 . 1 . . . . . . . . 6289 1 154 . 1 1 20 20 ARG HB2 H 1 1.64 0.05 . 2 . . . . . . . . 6289 1 155 . 1 1 20 20 ARG HG2 H 1 1.55 0.05 . 2 . . . . . . . . 6289 1 156 . 1 1 20 20 ARG HG3 H 1 1.47 0.05 . 2 . . . . . . . . 6289 1 157 . 1 1 20 20 ARG HD2 H 1 3.10 0.05 . 2 . . . . . . . . 6289 1 158 . 1 1 20 20 ARG CA C 13 59.77 0.10 . 1 . . . . . . . . 6289 1 159 . 1 1 20 20 ARG CB C 13 30.98 0.10 . 1 . . . . . . . . 6289 1 160 . 1 1 20 20 ARG CG C 13 27.18 0.10 . 1 . . . . . . . . 6289 1 161 . 1 1 20 20 ARG CD C 13 43.62 0.10 . 1 . . . . . . . . 6289 1 162 . 1 1 20 20 ARG N N 15 119.06 0.10 . 1 . . . . . . . . 6289 1 163 . 1 1 20 20 ARG H H 1 6.82 0.10 . 2 . . . . . . . . 6289 1 164 . 1 1 21 21 LEU HA H 1 4.37 0.05 . 1 . . . . . . . . 6289 1 165 . 1 1 21 21 LEU HB2 H 1 1.63 0.05 . 2 . . . . . . . . 6289 1 166 . 1 1 21 21 LEU HG H 1 1.19 0.05 . 1 . . . . . . . . 6289 1 167 . 1 1 21 21 LEU HD11 H 1 0.92 0.05 . 2 . . . . . . . . 6289 1 168 . 1 1 21 21 LEU HD12 H 1 0.92 0.05 . 2 . . . . . . . . 6289 1 169 . 1 1 21 21 LEU HD13 H 1 0.92 0.05 . 2 . . . . . . . . 6289 1 170 . 1 1 21 21 LEU HD21 H 1 0.85 0.05 . 2 . . . . . . . . 6289 1 171 . 1 1 21 21 LEU HD22 H 1 0.85 0.05 . 2 . . . . . . . . 6289 1 172 . 1 1 21 21 LEU HD23 H 1 0.85 0.05 . 2 . . . . . . . . 6289 1 173 . 1 1 21 21 LEU CA C 13 55.19 0.10 . 1 . . . . . . . . 6289 1 174 . 1 1 21 21 LEU CB C 13 42.14 0.10 . 1 . . . . . . . . 6289 1 175 . 1 1 21 21 LEU CD1 C 13 25.16 0.10 . 2 . . . . . . . . 6289 1 176 . 1 1 21 21 LEU CD2 C 13 23.29 0.10 . 2 . . . . . . . . 6289 1 177 . 1 1 21 21 LEU H H 1 8.21 0.10 . 1 . . . . . . . . 6289 1 178 . 1 1 22 22 GLN HA H 1 4.14 0.05 . 1 . . . . . . . . 6289 1 179 . 1 1 22 22 GLN HB2 H 1 1.91 0.05 . 2 . . . . . . . . 6289 1 180 . 1 1 22 22 GLN HB3 H 1 2.12 0.05 . 2 . . . . . . . . 6289 1 181 . 1 1 22 22 GLN HG2 H 1 2.27 0.05 . 2 . . . . . . . . 6289 1 182 . 1 1 22 22 GLN CA C 13 57.14 0.10 . 1 . . . . . . . . 6289 1 183 . 1 1 22 22 GLN CB C 13 30.70 0.10 . 1 . . . . . . . . 6289 1 184 . 1 1 22 22 GLN CG C 13 34.36 0.10 . 1 . . . . . . . . 6289 1 185 . 1 1 22 22 GLN N N 15 125.01 0.10 . 1 . . . . . . . . 6289 1 186 . 1 1 22 22 GLN H H 1 7.76 0.10 . 1 . . . . . . . . 6289 1 stop_ save_