################################### # 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 20053 _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' . . . 20053 1 2 '2D DQF-COSY' . . . 20053 1 3 '2D 1H-1H NOESY' . . . 20053 1 4 '2D 1H-1H ROESY' . . . 20053 1 5 '2D 1H-13C HSQC' . . . 20053 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 LYS HA H 1 3.728 0.020 . 1 . . . . 1 LYS HA . 20053 1 2 . 1 1 1 1 LYS HB2 H 1 1.663 0.020 . 2 . . . . 1 LYS HB2 . 20053 1 3 . 1 1 1 1 LYS HB3 H 1 1.663 0.020 . 2 . . . . 1 LYS HB3 . 20053 1 4 . 1 1 1 1 LYS HD2 H 1 1.489 0.020 . 2 . . . . 1 LYS HD2 . 20053 1 5 . 1 1 1 1 LYS HD3 H 1 1.489 0.020 . 2 . . . . 1 LYS HD3 . 20053 1 6 . 1 1 1 1 LYS HE2 H 1 2.730 0.020 . 2 . . . . 1 LYS HE2 . 20053 1 7 . 1 1 1 1 LYS HE3 H 1 2.730 0.020 . 2 . . . . 1 LYS HE3 . 20053 1 8 . 1 1 1 1 LYS HG2 H 1 1.280 0.020 . 2 . . . . 1 LYS HG2 . 20053 1 9 . 1 1 1 1 LYS HG3 H 1 1.280 0.020 . 2 . . . . 1 LYS HG3 . 20053 1 10 . 1 1 1 1 LYS CA C 13 55.840 0.400 . 1 . . . . 1 LYS CA . 20053 1 11 . 1 1 1 1 LYS CB C 13 34.270 0.400 . 1 . . . . 1 LYS CB . 20053 1 12 . 1 1 1 1 LYS CD C 13 30.250 0.400 . 1 . . . . 1 LYS CD . 20053 1 13 . 1 1 1 1 LYS CE C 13 42.420 0.400 . 1 . . . . 1 LYS CE . 20053 1 14 . 1 1 1 1 LYS CG C 13 24.850 0.400 . 1 . . . . 1 LYS CG . 20053 1 15 . 1 1 2 2 ARG H H 1 8.624 0.020 . 1 . . . . 2 ARG H . 20053 1 16 . 1 1 2 2 ARG HA H 1 4.250 0.020 . 1 . . . . 2 ARG HA . 20053 1 17 . 1 1 2 2 ARG HB2 H 1 1.668 0.020 . 2 . . . . 2 ARG HB2 . 20053 1 18 . 1 1 2 2 ARG HB3 H 1 1.668 0.020 . 2 . . . . 2 ARG HB3 . 20053 1 19 . 1 1 2 2 ARG HD2 H 1 3.046 0.020 . 2 . . . . 2 ARG HD2 . 20053 1 20 . 1 1 2 2 ARG HD3 H 1 3.046 0.020 . 2 . . . . 2 ARG HD3 . 20053 1 21 . 1 1 2 2 ARG HG2 H 1 1.497 0.020 . 2 . . . . 2 ARG HG2 . 20053 1 22 . 1 1 2 2 ARG HG3 H 1 1.497 0.020 . 2 . . . . 2 ARG HG3 . 20053 1 23 . 1 1 2 2 ARG HE H 1 7.461 0.400 . 1 . . . . 2 ARG HE . 20053 1 24 . 1 1 2 2 ARG CA C 13 56.390 0.400 . 1 . . . . 2 ARG CA . 20053 1 25 . 1 1 2 2 ARG CB C 13 32.620 0.400 . 1 . . . . 2 ARG CB . 20053 1 26 . 1 1 2 2 ARG CD C 13 44.220 0.400 . 1 . . . . 2 ARG CD . 20053 1 27 . 1 1 2 2 ARG CG C 13 28.480 0.400 . 1 . . . . 2 ARG CG . 20053 1 28 . 1 1 3 3 GLY H H 1 8.333 0.020 . 1 . . . . 3 GLY H . 20053 1 29 . 1 1 3 3 GLY HA2 H 1 3.789 0.020 . 2 . . . . 3 GLY HA2 . 20053 1 30 . 1 1 3 3 GLY HA3 H 1 3.702 0.020 . 2 . . . . 3 GLY HA3 . 20053 1 31 . 1 1 3 3 GLY CA C 13 45.510 0.400 . 1 . . . . 3 GLY CA . 20053 1 32 . 1 1 4 4 ILE H H 1 7.909 0.020 . 1 . . . . 4 ILE H . 20053 1 33 . 1 1 4 4 ILE HA H 1 4.149 0.020 . 1 . . . . 4 ILE HA . 20053 1 34 . 1 1 4 4 ILE HB H 1 1.668 0.020 . 1 . . . . 4 ILE HB . 20053 1 35 . 1 1 4 4 ILE HD11 H 1 0.749 0.020 . 1 . . . . 4 ILE HD1 . 20053 1 36 . 1 1 4 4 ILE HD12 H 1 0.749 0.020 . 1 . . . . 4 ILE HD1 . 20053 1 37 . 1 1 4 4 ILE HD13 H 1 0.749 0.020 . 1 . . . . 4 ILE HD1 . 20053 1 38 . 1 1 4 4 ILE HG12 H 1 1.323 0.020 . 2 . . . . 4 ILE HG12 . 20053 1 39 . 1 1 4 4 ILE HG13 H 1 1.009 0.020 . 2 . . . . 4 ILE HG13 . 20053 1 40 . 1 1 4 4 ILE HG21 H 1 0.749 0.020 . 1 . . . . 4 ILE HG2 . 20053 1 41 . 1 1 4 4 ILE HG22 H 1 0.749 0.020 . 1 . . . . 4 ILE HG2 . 20053 1 42 . 1 1 4 4 ILE HG23 H 1 0.749 0.020 . 1 . . . . 4 ILE HG2 . 20053 1 43 . 1 1 4 4 ILE CB C 13 40.360 0.400 . 1 . . . . 4 ILE CB . 20053 1 44 . 1 1 4 4 ILE CD1 C 13 14.680 0.400 . 1 . . . . 4 ILE CD1 . 20053 1 45 . 1 1 4 4 ILE CG1 C 13 27.980 0.400 . 1 . . . . 4 ILE CG1 . 20053 1 46 . 1 1 4 4 ILE CG2 C 13 19.030 0.400 . 1 . . . . 4 ILE CG2 . 20053 1 47 . 1 1 5 5 VAL H H 1 8.028 0.020 . 1 . . . . 5 VAL H . 20053 1 48 . 1 1 5 5 VAL HA H 1 4.018 0.020 . 1 . . . . 5 VAL HA . 20053 1 49 . 1 1 5 5 VAL HB H 1 1.899 0.020 . 1 . . . . 5 VAL HB . 20053 1 50 . 1 1 5 5 VAL HG11 H 1 0.782 0.020 . 2 . . . . 5 VAL HG1 . 20053 1 51 . 1 1 5 5 VAL HG12 H 1 0.782 0.020 . 2 . . . . 5 VAL HG1 . 20053 1 52 . 1 1 5 5 VAL HG13 H 1 0.782 0.020 . 2 . . . . 5 VAL HG1 . 20053 1 53 . 1 1 5 5 VAL HG21 H 1 0.782 0.020 . 2 . . . . 5 VAL HG2 . 20053 1 54 . 1 1 5 5 VAL HG22 H 1 0.782 0.020 . 2 . . . . 5 VAL HG2 . 20053 1 55 . 1 1 5 5 VAL HG23 H 1 0.782 0.020 . 2 . . . . 5 VAL HG2 . 20053 1 56 . 1 1 5 5 VAL CB C 13 33.870 0.400 . 1 . . . . 5 VAL CB . 20053 1 57 . 1 1 5 5 VAL CG1 C 13 22.870 0.400 . 1 . . . . 5 VAL CG1 . 20053 1 58 . 1 1 5 5 VAL CG2 C 13 22.160 0.400 . 1 . . . . 5 VAL CG2 . 20053 1 59 . 1 1 6 6 GLU H H 1 8.129 0.020 . 1 . . . . 6 GLU H . 20053 1 60 . 1 1 6 6 GLU HA H 1 4.192 0.020 . 1 . . . . 6 GLU HA . 20053 1 61 . 1 1 6 6 GLU HB2 H 1 1.852 0.020 . 2 . . . . 6 GLU HB2 . 20053 1 62 . 1 1 6 6 GLU HB3 H 1 1.708 0.020 . 2 . . . . 6 GLU HB3 . 20053 1 63 . 1 1 6 6 GLU HG2 H 1 2.199 0.020 . 2 . . . . 6 GLU HG2 . 20053 1 64 . 1 1 6 6 GLU HG3 H 1 2.199 0.020 . 2 . . . . 6 GLU HG3 . 20053 1 65 . 1 1 6 6 GLU CA C 13 57.000 0.400 . 1 . . . . 6 GLU CA . 20053 1 66 . 1 1 6 6 GLU CB C 13 30.820 0.400 . 1 . . . . 6 GLU CB . 20053 1 67 . 1 1 6 6 GLU CG C 13 33.780 0.400 . 1 . . . . 6 GLU CG . 20053 1 68 . 1 1 7 7 GLN H H 1 8.179 0.020 . 1 . . . . 7 GLN H . 20053 1 69 . 1 1 7 7 GLN HA H 1 4.173 0.020 . 1 . . . . 7 GLN HA . 20053 1 70 . 1 1 7 7 GLN HB2 H 1 1.847 0.020 . 2 . . . . 7 GLN HB2 . 20053 1 71 . 1 1 7 7 GLN HB3 H 1 1.730 0.020 . 2 . . . . 7 GLN HB3 . 20053 1 72 . 1 1 7 7 GLN HE21 H 1 6.836 0.020 . 2 . . . . 7 GLN HE21 . 20053 1 73 . 1 1 7 7 GLN HE22 H 1 7.398 0.020 . 2 . . . . 7 GLN HE22 . 20053 1 74 . 1 1 7 7 GLN HG2 H 1 2.099 0.020 . 2 . . . . 7 GLN HG2 . 20053 1 75 . 1 1 7 7 GLN HG3 H 1 2.099 0.020 . 2 . . . . 7 GLN HG3 . 20053 1 76 . 1 1 7 7 GLN CB C 13 31.330 0.400 . 1 . . . . 7 GLN CB . 20053 1 77 . 1 1 7 7 GLN CG C 13 35.010 0.400 . 1 . . . . 7 GLN CG . 20053 1 78 . 1 1 8 8 CYS H H 1 8.239 0.020 . 1 . . . . 8 CYS H . 20053 1 79 . 1 1 8 8 CYS HA H 1 4.362 0.020 . 1 . . . . 8 CYS HA . 20053 1 80 . 1 1 8 8 CYS HB2 H 1 2.754 0.020 . 2 . . . . 8 CYS HB2 . 20053 1 81 . 1 1 8 8 CYS HB3 H 1 2.694 0.020 . 2 . . . . 8 CYS HB3 . 20053 1 82 . 1 1 8 8 CYS CA C 13 59.060 0.400 . 1 . . . . 8 CYS CA . 20053 1 83 . 1 1 8 8 CYS CB C 13 29.540 0.400 . 1 . . . . 8 CYS CB . 20053 1 84 . 1 1 9 9 CYS H H 1 8.320 0.020 . 1 . . . . 9 CYS H . 20053 1 85 . 1 1 9 9 CYS HA H 1 4.427 0.020 . 1 . . . . 9 CYS HA . 20053 1 86 . 1 1 9 9 CYS HB2 H 1 2.780 0.020 . 2 . . . . 9 CYS HB2 . 20053 1 87 . 1 1 9 9 CYS HB3 H 1 2.721 0.020 . 2 . . . . 9 CYS HB3 . 20053 1 88 . 1 1 9 9 CYS CA C 13 59.160 0.400 . 1 . . . . 9 CYS CA . 20053 1 89 . 1 1 9 9 CYS CB C 13 29.570 0.400 . 1 . . . . 9 CYS CB . 20053 1 90 . 1 1 10 10 THR H H 1 7.939 0.020 . 1 . . . . 10 THR H . 20053 1 91 . 1 1 10 10 THR HA H 1 4.188 0.020 . 1 . . . . 10 THR HA . 20053 1 92 . 1 1 10 10 THR HB H 1 3.992 0.020 . 1 . . . . 10 THR HB . 20053 1 93 . 1 1 10 10 THR HG21 H 1 1.013 0.020 . 1 . . . . 10 THR HG2 . 20053 1 94 . 1 1 10 10 THR HG22 H 1 1.013 0.020 . 1 . . . . 10 THR HG2 . 20053 1 95 . 1 1 10 10 THR HG23 H 1 1.013 0.020 . 1 . . . . 10 THR HG2 . 20053 1 96 . 1 1 10 10 THR CA C 13 63.370 0.400 . 1 . . . . 10 THR CA . 20053 1 97 . 1 1 10 10 THR CB C 13 70.010 0.400 . 1 . . . . 10 THR CB . 20053 1 98 . 1 1 10 10 THR CG2 C 13 23.180 0.400 . 1 . . . . 10 THR CG2 . 20053 1 99 . 1 1 11 11 SER H H 1 7.935 0.020 . 1 . . . . 11 SER H . 20053 1 100 . 1 1 11 11 SER HA H 1 4.324 0.020 . 1 . . . . 11 SER HA . 20053 1 101 . 1 1 11 11 SER HB2 H 1 3.616 0.020 . 2 . . . . 11 SER HB2 . 20053 1 102 . 1 1 11 11 SER HB3 H 1 3.574 0.020 . 2 . . . . 11 SER HB3 . 20053 1 103 . 1 1 11 11 SER CA C 13 59.300 0.400 . 1 . . . . 11 SER CA . 20053 1 104 . 1 1 11 11 SER CB C 13 65.140 0.400 . 1 . . . . 11 SER CB . 20053 1 105 . 1 1 12 12 ILE H H 1 7.965 0.020 . 1 . . . . 12 ILE H . 20053 1 106 . 1 1 12 12 ILE HA H 1 4.094 0.020 . 1 . . . . 12 ILE HA . 20053 1 107 . 1 1 12 12 ILE HB H 1 1.743 0.020 . 1 . . . . 12 ILE HB . 20053 1 108 . 1 1 12 12 ILE HD11 H 1 0.772 0.020 . 1 . . . . 12 ILE HD1 . 20053 1 109 . 1 1 12 12 ILE HD12 H 1 0.772 0.020 . 1 . . . . 12 ILE HD1 . 20053 1 110 . 1 1 12 12 ILE HD13 H 1 0.772 0.020 . 1 . . . . 12 ILE HD1 . 20053 1 111 . 1 1 12 12 ILE HG12 H 1 1.367 0.020 . 2 . . . . 12 ILE HG12 . 20053 1 112 . 1 1 12 12 ILE HG13 H 1 1.066 0.020 . 2 . . . . 12 ILE HG13 . 20053 1 113 . 1 1 12 12 ILE HG21 H 1 0.772 0.020 . 1 . . . . 12 ILE HG2 . 20053 1 114 . 1 1 12 12 ILE HG22 H 1 0.772 0.020 . 1 . . . . 12 ILE HG2 . 20053 1 115 . 1 1 12 12 ILE HG23 H 1 0.772 0.020 . 1 . . . . 12 ILE HG2 . 20053 1 116 . 1 1 12 12 ILE CB C 13 39.800 0.400 . 1 . . . . 12 ILE CB . 20053 1 117 . 1 1 12 12 ILE CD1 C 13 14.830 0.400 . 1 . . . . 12 ILE CD1 . 20053 1 118 . 1 1 12 12 ILE CG1 C 13 28.090 0.400 . 1 . . . . 12 ILE CG1 . 20053 1 119 . 1 1 12 12 ILE CG2 C 13 19.100 0.400 . 1 . . . . 12 ILE CG2 . 20053 1 120 . 1 1 13 13 CYS H H 1 8.132 0.020 . 1 . . . . 13 CYS H . 20053 1 121 . 1 1 13 13 CYS HA H 1 4.324 0.020 . 1 . . . . 13 CYS HA . 20053 1 122 . 1 1 13 13 CYS HB2 H 1 2.758 0.020 . 2 . . . . 13 CYS HB2 . 20053 1 123 . 1 1 13 13 CYS HB3 H 1 2.675 0.020 . 2 . . . . 13 CYS HB3 . 20053 1 124 . 1 1 13 13 CYS CA C 13 58.830 0.400 . 1 . . . . 13 CYS CA . 20053 1 125 . 1 1 13 13 CYS CB C 13 29.500 0.400 . 1 . . . . 13 CYS CB . 20053 1 126 . 1 1 14 14 SER H H 1 8.001 0.020 . 1 . . . . 14 SER H . 20053 1 127 . 1 1 14 14 SER HA H 1 4.243 0.020 . 1 . . . . 14 SER HA . 20053 1 128 . 1 1 14 14 SER HB2 H 1 3.642 0.020 . 2 . . . . 14 SER HB2 . 20053 1 129 . 1 1 14 14 SER HB3 H 1 3.561 0.020 . 2 . . . . 14 SER HB3 . 20053 1 130 . 1 1 14 14 SER CA C 13 59.130 0.400 . 1 . . . . 14 SER CA . 20053 1 131 . 1 1 14 14 SER CB C 13 65.070 0.400 . 1 . . . . 14 SER CB . 20053 1 132 . 1 1 15 15 LEU H H 1 8.013 0.020 . 1 . . . . 15 LEU H . 20053 1 133 . 1 1 15 15 LEU HA H 1 4.039 0.020 . 1 . . . . 15 LEU HA . 20053 1 134 . 1 1 15 15 LEU HB2 H 1 1.254 0.020 . 2 . . . . 15 LEU HB2 . 20053 1 135 . 1 1 15 15 LEU HB3 H 1 1.254 0.020 . 2 . . . . 15 LEU HB3 . 20053 1 136 . 1 1 15 15 LEU HD11 H 1 0.770 0.020 . 2 . . . . 15 LEU HD1 . 20053 1 137 . 1 1 15 15 LEU HD12 H 1 0.770 0.020 . 2 . . . . 15 LEU HD1 . 20053 1 138 . 1 1 15 15 LEU HD13 H 1 0.770 0.020 . 2 . . . . 15 LEU HD1 . 20053 1 139 . 1 1 15 15 LEU HD21 H 1 0.705 0.020 . 2 . . . . 15 LEU HD2 . 20053 1 140 . 1 1 15 15 LEU HD22 H 1 0.705 0.020 . 2 . . . . 15 LEU HD2 . 20053 1 141 . 1 1 15 15 LEU HD23 H 1 0.705 0.020 . 2 . . . . 15 LEU HD2 . 20053 1 142 . 1 1 15 15 LEU HG H 1 1.466 0.020 . 1 . . . . 15 LEU HG . 20053 1 143 . 1 1 15 15 LEU CB C 13 43.620 0.400 . 1 . . . . 15 LEU CB . 20053 1 144 . 1 1 15 15 LEU CD1 C 13 26.660 0.400 . 1 . . . . 15 LEU CD1 . 20053 1 145 . 1 1 15 15 LEU CD2 C 13 24.940 0.400 . 1 . . . . 15 LEU CD2 . 20053 1 146 . 1 1 15 15 LEU CG C 13 28.490 0.400 . 1 . . . . 15 LEU CG . 20053 1 147 . 1 1 16 16 TYR H H 1 7.739 0.020 . 1 . . . . 16 TYR H . 20053 1 148 . 1 1 16 16 TYR HA H 1 4.328 0.020 . 1 . . . . 16 TYR HA . 20053 1 149 . 1 1 16 16 TYR HB2 H 1 2.948 0.020 . 2 . . . . 16 TYR HB2 . 20053 1 150 . 1 1 16 16 TYR HB3 H 1 2.585 0.020 . 2 . . . . 16 TYR HB3 . 20053 1 151 . 1 1 16 16 TYR HD1 H 1 6.984 0.020 . 1 . . . . 16 TYR HD1 . 20053 1 152 . 1 1 16 16 TYR HD2 H 1 6.984 0.020 . 1 . . . . 16 TYR HD2 . 20053 1 153 . 1 1 16 16 TYR HE1 H 1 6.608 0.020 . 1 . . . . 16 TYR HE1 . 20053 1 154 . 1 1 16 16 TYR HE2 H 1 6.608 0.020 . 1 . . . . 16 TYR HE2 . 20053 1 155 . 1 1 16 16 TYR CB C 13 40.030 0.400 . 1 . . . . 16 TYR CB . 20053 1 156 . 1 1 17 17 GLN H H 1 7.984 0.020 . 1 . . . . 17 GLN H . 20053 1 157 . 1 1 17 17 GLN HA H 1 4.109 0.020 . 1 . . . . 17 GLN HA . 20053 1 158 . 1 1 17 17 GLN HB2 H 1 1.948 0.020 . 2 . . . . 17 GLN HB2 . 20053 1 159 . 1 1 17 17 GLN HB3 H 1 1.781 0.020 . 2 . . . . 17 GLN HB3 . 20053 1 160 . 1 1 17 17 GLN HE21 H 1 6.840 0.020 . 2 . . . . 17 GLN HE21 . 20053 1 161 . 1 1 17 17 GLN HE22 H 1 7.432 0.020 . 2 . . . . 17 GLN HE22 . 20053 1 162 . 1 1 17 17 GLN HG2 H 1 2.120 0.020 . 2 . . . . 17 GLN HG2 . 20053 1 163 . 1 1 17 17 GLN HG3 H 1 2.120 0.020 . 2 . . . . 17 GLN HG3 . 20053 1 164 . 1 1 17 17 GLN CB C 13 30.560 0.400 . 1 . . . . 17 GLN CB . 20053 1 165 . 1 1 17 17 GLN CG C 13 35.010 0.400 . 1 . . . . 17 GLN CG . 20053 1 stop_ save_