################################### # 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51432 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Bcl-xl UV exposed-chemical shifts' _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 $chem_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-15N HSQC' . . . 51432 1 2 '3D HNCA' . . . 51432 1 3 '3D HNCO' . . . 51432 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51432 1 2 $software_2 . . 51432 1 3 $software_3 . . 51432 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 9 9 VAL H H 1 7.891 0.020 . 1 . . . . . 9 VAL H . 51432 1 2 . 1 . 1 9 9 VAL CA C 13 55.937 0.3 . 1 . . . . . 9 VAL CA . 51432 1 3 . 1 . 1 9 9 VAL N N 15 117.731 0.3 . 1 . . . . . 9 VAL N . 51432 1 4 . 1 . 1 10 10 VAL H H 1 8.251 0.020 . 1 . . . . . 10 VAL H . 51432 1 5 . 1 . 1 10 10 VAL CA C 13 54.984 0.3 . 1 . . . . . 10 VAL CA . 51432 1 6 . 1 . 1 10 10 VAL N N 15 116.563 0.3 . 1 . . . . . 10 VAL N . 51432 1 7 . 1 . 1 13 13 LEU H H 1 8.751 0.020 . 1 . . . . . 13 LEU H . 51432 1 8 . 1 . 1 13 13 LEU N N 15 116.675 0.3 . 1 . . . . . 13 LEU N . 51432 1 9 . 1 . 1 15 15 TYR H H 1 8.301 0.020 . 1 . . . . . 15 TYR H . 51432 1 10 . 1 . 1 15 15 TYR N N 15 125.770 0.3 . 1 . . . . . 15 TYR N . 51432 1 11 . 1 . 1 21 21 GLY H H 1 7.521 0.020 . 1 . . . . . 21 GLY H . 51432 1 12 . 1 . 1 21 21 GLY CA C 13 41.638 0.3 . 1 . . . . . 21 GLY CA . 51432 1 13 . 1 . 1 21 21 GLY N N 15 105.576 0.3 . 1 . . . . . 21 GLY N . 51432 1 14 . 1 . 1 24 24 TRP H H 1 8.820 0.020 . 1 . . . . . 24 TRP H . 51432 1 15 . 1 . 1 24 24 TRP CA C 13 55.938 0.3 . 1 . . . . . 24 TRP CA . 51432 1 16 . 1 . 1 24 24 TRP N N 15 127.000 0.3 . 1 . . . . . 24 TRP N . 51432 1 17 . 1 . 1 30 30 VAL H H 1 7.995 0.020 . 1 . . . . . 30 VAL H . 51432 1 18 . 1 . 1 30 30 VAL N N 15 119.167 0.3 . 1 . . . . . 30 VAL N . 51432 1 19 . 1 . 1 32 32 GLU H H 1 8.342 0.020 . 1 . . . . . 32 GLU H . 51432 1 20 . 1 . 1 32 32 GLU CA C 13 53.190 0.3 . 1 . . . . . 32 GLU CA . 51432 1 21 . 1 . 1 32 32 GLU N N 15 121.811 0.3 . 1 . . . . . 32 GLU N . 51432 1 22 . 1 . 1 34 34 ARG H H 1 8.291 0.020 . 1 . . . . . 34 ARG H . 51432 1 23 . 1 . 1 34 34 ARG CA C 13 52.932 0.3 . 1 . . . . . 34 ARG CA . 51432 1 24 . 1 . 1 34 34 ARG N N 15 121.968 0.3 . 1 . . . . . 34 ARG N . 51432 1 25 . 1 . 1 37 37 ALA H H 1 8.287 0.020 . 1 . . . . . 37 ALA H . 51432 1 26 . 1 . 1 37 37 ALA CA C 13 46.787 0.3 . 1 . . . . . 37 ALA CA . 51432 1 27 . 1 . 1 37 37 ALA N N 15 126.497 0.3 . 1 . . . . . 37 ALA N . 51432 1 28 . 1 . 1 39 39 GLU H H 1 8.548 0.020 . 1 . . . . . 39 GLU H . 51432 1 29 . 1 . 1 39 39 GLU CA C 13 53.335 0.3 . 1 . . . . . 39 GLU CA . 51432 1 30 . 1 . 1 39 39 GLU N N 15 121.449 0.3 . 1 . . . . . 39 GLU N . 51432 1 31 . 1 . 1 41 41 THR H H 1 8.206 0.020 . 1 . . . . . 41 THR H . 51432 1 32 . 1 . 1 41 41 THR N N 15 113.835 0.3 . 1 . . . . . 41 THR N . 51432 1 33 . 1 . 1 43 43 SER H H 1 8.440 0.020 . 1 . . . . . 43 SER H . 51432 1 34 . 1 . 1 43 43 SER CA C 13 52.967 0.3 . 1 . . . . . 43 SER CA . 51432 1 35 . 1 . 1 43 43 SER N N 15 115.826 0.3 . 1 . . . . . 43 SER N . 51432 1 36 . 1 . 1 47 47 LYS H H 1 7.326 0.020 . 1 . . . . . 47 LYS H . 51432 1 37 . 1 . 1 47 47 LYS N N 15 117.357 0.3 . 1 . . . . . 47 LYS N . 51432 1 38 . 1 . 1 51 51 ARG H H 1 8.120 0.020 . 1 . . . . . 51 ARG H . 51432 1 39 . 1 . 1 51 51 ARG CA C 13 50.625 0.3 . 1 . . . . . 51 ARG CA . 51432 1 40 . 1 . 1 51 51 ARG N N 15 118.863 0.3 . 1 . . . . . 51 ARG N . 51432 1 41 . 1 . 1 53 53 ALA H H 1 8.870 0.020 . 1 . . . . . 53 ALA H . 51432 1 42 . 1 . 1 53 53 ALA N N 15 123.255 0.3 . 1 . . . . . 53 ALA N . 51432 1 43 . 1 . 1 54 54 GLY H H 1 9.130 0.020 . 1 . . . . . 54 GLY H . 51432 1 44 . 1 . 1 54 54 GLY CA C 13 43.548 0.3 . 1 . . . . . 54 GLY CA . 51432 1 45 . 1 . 1 54 54 GLY N N 15 108.842 0.3 . 1 . . . . . 54 GLY N . 51432 1 46 . 1 . 1 59 59 LEU H H 1 7.398 0.020 . 1 . . . . . 59 LEU H . 51432 1 47 . 1 . 1 59 59 LEU N N 15 117.191 0.3 . 1 . . . . . 59 LEU N . 51432 1 48 . 1 . 1 61 61 TYR H H 1 8.015 0.020 . 1 . . . . . 61 TYR H . 51432 1 49 . 1 . 1 61 61 TYR CA C 13 58.549 0.3 . 1 . . . . . 61 TYR CA . 51432 1 50 . 1 . 1 61 61 TYR N N 15 119.139 0.3 . 1 . . . . . 61 TYR N . 51432 1 51 . 1 . 1 62 62 ARG H H 1 7.342 0.020 . 1 . . . . . 62 ARG H . 51432 1 52 . 1 . 1 62 62 ARG CA C 13 53.221 0.3 . 1 . . . . . 62 ARG CA . 51432 1 53 . 1 . 1 62 62 ARG N N 15 119.715 0.3 . 1 . . . . . 62 ARG N . 51432 1 54 . 1 . 1 69 69 THR H H 1 8.432 0.020 . 1 . . . . . 69 THR H . 51432 1 55 . 1 . 1 69 69 THR N N 15 110.314 0.3 . 1 . . . . . 69 THR N . 51432 1 56 . 1 . 1 70 70 SER H H 1 7.775 0.020 . 1 . . . . . 70 SER H . 51432 1 57 . 1 . 1 70 70 SER CA C 13 55.852 0.3 . 1 . . . . . 70 SER CA . 51432 1 58 . 1 . 1 70 70 SER N N 15 116.267 0.3 . 1 . . . . . 70 SER N . 51432 1 59 . 1 . 1 81 81 GLN H H 1 8.417 0.020 . 1 . . . . . 81 GLN H . 51432 1 60 . 1 . 1 81 81 GLN CA C 13 60.222 0.3 . 1 . . . . . 81 GLN CA . 51432 1 61 . 1 . 1 81 81 GLN N N 15 114.876 0.3 . 1 . . . . . 81 GLN N . 51432 1 62 . 1 . 1 89 89 GLU H H 1 7.267 0.020 . 1 . . . . . 89 GLU H . 51432 1 63 . 1 . 1 89 89 GLU CA C 13 55.300 0.3 . 1 . . . . . 89 GLU CA . 51432 1 64 . 1 . 1 89 89 GLU N N 15 118.860 0.3 . 1 . . . . . 89 GLU N . 51432 1 65 . 1 . 1 90 90 LEU H H 1 7.507 0.020 . 1 . . . . . 90 LEU H . 51432 1 66 . 1 . 1 90 90 LEU CA C 13 55.809 0.3 . 1 . . . . . 90 LEU CA . 51432 1 67 . 1 . 1 90 90 LEU N N 15 120.457 0.3 . 1 . . . . . 90 LEU N . 51432 1 68 . 1 . 1 92 92 ARG H H 1 7.158 0.020 . 1 . . . . . 92 ARG H . 51432 1 69 . 1 . 1 92 92 ARG CA C 13 56.154 0.3 . 1 . . . . . 92 ARG CA . 51432 1 70 . 1 . 1 92 92 ARG N N 15 123.956 0.3 . 1 . . . . . 92 ARG N . 51432 1 71 . 1 . 1 93 93 ASP H H 1 8.640 0.020 . 1 . . . . . 93 ASP H . 51432 1 72 . 1 . 1 93 93 ASP CA C 13 50.463 0.3 . 1 . . . . . 93 ASP CA . 51432 1 73 . 1 . 1 93 93 ASP N N 15 116.814 0.3 . 1 . . . . . 93 ASP N . 51432 1 74 . 1 . 1 94 94 GLY H H 1 7.497 0.020 . 1 . . . . . 94 GLY H . 51432 1 75 . 1 . 1 94 94 GLY CA C 13 40.153 0.3 . 1 . . . . . 94 GLY CA . 51432 1 76 . 1 . 1 94 94 GLY N N 15 108.810 0.3 . 1 . . . . . 94 GLY N . 51432 1 77 . 1 . 1 96 96 ASN H H 1 6.305 0.020 . 1 . . . . . 96 ASN H . 51432 1 78 . 1 . 1 96 96 ASN CA C 13 48.220 0.3 . 1 . . . . . 96 ASN CA . 51432 1 79 . 1 . 1 96 96 ASN N N 15 115.942 0.3 . 1 . . . . . 96 ASN N . 51432 1 80 . 1 . 1 98 98 GLY H H 1 8.532 0.020 . 1 . . . . . 98 GLY H . 51432 1 81 . 1 . 1 98 98 GLY CA C 13 43.717 0.3 . 1 . . . . . 98 GLY CA . 51432 1 82 . 1 . 1 98 98 GLY N N 15 106.412 0.3 . 1 . . . . . 98 GLY N . 51432 1 83 . 1 . 1 101 101 VAL H H 1 8.294 0.020 . 1 . . . . . 101 VAL H . 51432 1 84 . 1 . 1 101 101 VAL CA C 13 52.833 0.3 . 1 . . . . . 101 VAL CA . 51432 1 85 . 1 . 1 101 101 VAL N N 15 121.646 0.3 . 1 . . . . . 101 VAL N . 51432 1 86 . 1 . 1 106 106 PHE H H 1 9.081 0.020 . 1 . . . . . 106 PHE H . 51432 1 87 . 1 . 1 106 106 PHE N N 15 124.515 0.3 . 1 . . . . . 106 PHE N . 51432 1 88 . 1 . 1 107 107 GLY H H 1 7.957 0.020 . 1 . . . . . 107 GLY H . 51432 1 89 . 1 . 1 107 107 GLY CA C 13 44.396 0.3 . 1 . . . . . 107 GLY CA . 51432 1 90 . 1 . 1 107 107 GLY N N 15 106.338 0.3 . 1 . . . . . 107 GLY N . 51432 1 91 . 1 . 1 108 108 GLY H H 1 8.806 0.020 . 1 . . . . . 108 GLY H . 51432 1 92 . 1 . 1 108 108 GLY CA C 13 44.284 0.3 . 1 . . . . . 108 GLY CA . 51432 1 93 . 1 . 1 108 108 GLY N N 15 107.659 0.3 . 1 . . . . . 108 GLY N . 51432 1 94 . 1 . 1 109 109 ALA H H 1 8.358 0.020 . 1 . . . . . 109 ALA H . 51432 1 95 . 1 . 1 109 109 ALA N N 15 126.330 0.3 . 1 . . . . . 109 ALA N . 51432 1 96 . 1 . 1 110 110 LEU H H 1 8.232 0.020 . 1 . . . . . 110 LEU H . 51432 1 97 . 1 . 1 110 110 LEU CA C 13 53.942 0.3 . 1 . . . . . 110 LEU CA . 51432 1 98 . 1 . 1 110 110 LEU N N 15 118.811 0.3 . 1 . . . . . 110 LEU N . 51432 1 99 . 1 . 1 114 114 SER H H 1 7.664 0.020 . 1 . . . . . 114 SER H . 51432 1 100 . 1 . 1 114 114 SER CA C 13 59.670 0.3 . 1 . . . . . 114 SER CA . 51432 1 101 . 1 . 1 114 114 SER N N 15 113.698 0.3 . 1 . . . . . 114 SER N . 51432 1 102 . 1 . 1 115 115 VAL H H 1 7.358 0.020 . 1 . . . . . 115 VAL H . 51432 1 103 . 1 . 1 115 115 VAL N N 15 121.069 0.3 . 1 . . . . . 115 VAL N . 51432 1 104 . 1 . 1 117 117 LYS H H 1 7.657 0.020 . 1 . . . . . 117 LYS H . 51432 1 105 . 1 . 1 117 117 LYS CA C 13 56.955 0.3 . 1 . . . . . 117 LYS CA . 51432 1 106 . 1 . 1 117 117 LYS N N 15 116.240 0.3 . 1 . . . . . 117 LYS N . 51432 1 107 . 1 . 1 118 118 GLU H H 1 7.874 0.020 . 1 . . . . . 118 GLU H . 51432 1 108 . 1 . 1 118 118 GLU N N 15 114.180 0.3 . 1 . . . . . 118 GLU N . 51432 1 109 . 1 . 1 120 120 GLN H H 1 8.682 0.020 . 1 . . . . . 120 GLN H . 51432 1 110 . 1 . 1 120 120 GLN CA C 13 56.531 0.3 . 1 . . . . . 120 GLN CA . 51432 1 111 . 1 . 1 120 120 GLN N N 15 119.642 0.3 . 1 . . . . . 120 GLN N . 51432 1 112 . 1 . 1 124 124 SER H H 1 8.194 0.020 . 1 . . . . . 124 SER H . 51432 1 113 . 1 . 1 124 124 SER N N 15 111.040 0.3 . 1 . . . . . 124 SER N . 51432 1 114 . 1 . 1 125 125 ARG H H 1 6.600 0.020 . 1 . . . . . 125 ARG H . 51432 1 115 . 1 . 1 125 125 ARG N N 15 123.149 0.3 . 1 . . . . . 125 ARG N . 51432 1 116 . 1 . 1 134 134 LEU H H 1 8.746 0.020 . 1 . . . . . 134 LEU H . 51432 1 117 . 1 . 1 134 134 LEU N N 15 119.600 0.3 . 1 . . . . . 134 LEU N . 51432 1 118 . 1 . 1 142 142 ILE H H 1 8.422 0.020 . 1 . . . . . 142 ILE H . 51432 1 119 . 1 . 1 142 142 ILE CA C 13 53.370 0.3 . 1 . . . . . 142 ILE CA . 51432 1 120 . 1 . 1 142 142 ILE N N 15 122.391 0.3 . 1 . . . . . 142 ILE N . 51432 1 121 . 1 . 1 143 143 GLN H H 1 8.506 0.020 . 1 . . . . . 143 GLN H . 51432 1 122 . 1 . 1 143 143 GLN N N 15 116.058 0.3 . 1 . . . . . 143 GLN N . 51432 1 123 . 1 . 1 146 146 GLY H H 1 7.373 0.020 . 1 . . . . . 146 GLY H . 51432 1 124 . 1 . 1 146 146 GLY CA C 13 42.063 0.3 . 1 . . . . . 146 GLY CA . 51432 1 125 . 1 . 1 146 146 GLY N N 15 105.123 0.3 . 1 . . . . . 146 GLY N . 51432 1 126 . 1 . 1 147 147 GLY H H 1 8.466 0.020 . 1 . . . . . 147 GLY H . 51432 1 127 . 1 . 1 147 147 GLY CA C 13 40.960 0.3 . 1 . . . . . 147 GLY CA . 51432 1 128 . 1 . 1 147 147 GLY N N 15 108.459 0.3 . 1 . . . . . 147 GLY N . 51432 1 129 . 1 . 1 149 149 ASP H H 1 8.858 0.020 . 1 . . . . . 149 ASP H . 51432 1 130 . 1 . 1 149 149 ASP CA C 13 54.155 0.3 . 1 . . . . . 149 ASP CA . 51432 1 131 . 1 . 1 149 149 ASP N N 15 117.680 0.3 . 1 . . . . . 149 ASP N . 51432 1 132 . 1 . 1 150 150 THR H H 1 7.771 0.020 . 1 . . . . . 150 THR H . 51432 1 133 . 1 . 1 150 150 THR N N 15 117.357 0.3 . 1 . . . . . 150 THR N . 51432 1 134 . 1 . 1 151 151 PHE H H 1 6.552 0.020 . 1 . . . . . 151 PHE H . 51432 1 135 . 1 . 1 151 151 PHE CA C 13 62.683 0.3 . 1 . . . . . 151 PHE CA . 51432 1 136 . 1 . 1 151 151 PHE N N 15 122.086 0.3 . 1 . . . . . 151 PHE N . 51432 1 137 . 1 . 1 153 153 GLU H H 1 7.422 0.020 . 1 . . . . . 153 GLU H . 51432 1 138 . 1 . 1 153 153 GLU N N 15 120.114 0.3 . 1 . . . . . 153 GLU N . 51432 1 139 . 1 . 1 155 155 TYR H H 1 8.185 0.020 . 1 . . . . . 155 TYR H . 51432 1 140 . 1 . 1 155 155 TYR CA C 13 58.440 0.3 . 1 . . . . . 155 TYR CA . 51432 1 141 . 1 . 1 155 155 TYR N N 15 116.019 0.3 . 1 . . . . . 155 TYR N . 51432 1 142 . 1 . 1 156 156 GLY H H 1 8.072 0.020 . 1 . . . . . 156 GLY H . 51432 1 143 . 1 . 1 156 156 GLY CA C 13 41.935 0.3 . 1 . . . . . 156 GLY CA . 51432 1 144 . 1 . 1 156 156 GLY N N 15 108.651 0.3 . 1 . . . . . 156 GLY N . 51432 1 145 . 1 . 1 159 159 ALA H H 1 8.138 0.020 . 1 . . . . . 159 ALA H . 51432 1 146 . 1 . 1 159 159 ALA CA C 13 55.033 0.3 . 1 . . . . . 159 ALA CA . 51432 1 147 . 1 . 1 159 159 ALA N N 15 123.599 0.3 . 1 . . . . . 159 ALA N . 51432 1 148 . 1 . 1 160 160 ALA H H 1 8.075 0.020 . 1 . . . . . 160 ALA H . 51432 1 149 . 1 . 1 160 160 ALA CA C 13 49.342 0.3 . 1 . . . . . 160 ALA CA . 51432 1 150 . 1 . 1 160 160 ALA N N 15 121.897 0.3 . 1 . . . . . 160 ALA N . 51432 1 151 . 1 . 1 161 161 ALA H H 1 7.973 0.020 . 1 . . . . . 161 ALA H . 51432 1 152 . 1 . 1 161 161 ALA CA C 13 49.900 0.3 . 1 . . . . . 161 ALA CA . 51432 1 153 . 1 . 1 161 161 ALA N N 15 122.443 0.3 . 1 . . . . . 161 ALA N . 51432 1 154 . 1 . 1 164 164 ARG H H 1 7.987 0.020 . 1 . . . . . 164 ARG H . 51432 1 155 . 1 . 1 164 164 ARG CA C 13 56.224 0.3 . 1 . . . . . 164 ARG CA . 51432 1 156 . 1 . 1 164 164 ARG N N 15 122.074 0.3 . 1 . . . . . 164 ARG N . 51432 1 157 . 1 . 1 167 167 GLN H H 1 8.081 0.020 . 1 . . . . . 167 GLN H . 51432 1 158 . 1 . 1 167 167 GLN CA C 13 52.107 0.3 . 1 . . . . . 167 GLN CA . 51432 1 159 . 1 . 1 167 167 GLN N N 15 119.300 0.3 . 1 . . . . . 167 GLN N . 51432 1 160 . 1 . 1 168 168 GLU H H 1 8.400 0.020 . 1 . . . . . 168 GLU H . 51432 1 161 . 1 . 1 168 168 GLU CA C 13 52.793 0.3 . 1 . . . . . 168 GLU CA . 51432 1 162 . 1 . 1 168 168 GLU N N 15 121.732 0.3 . 1 . . . . . 168 GLU N . 51432 1 stop_ save_