################################### # 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 30434 _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 $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-1H COSY' . . . 30434 1 2 '2D 1H-1H TOCSY' . . . 30434 1 3 '2D 1H-1H NOESY' . . . 30434 1 4 '2D 1H-15N HSQC' . . . 30434 1 5 '2D 1H-13C HSQC' . . . 30434 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.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 2 2 MET HA H 1 4.475 0.00 . . . . . . A 2 MET HA . 30434 1 2 . 1 1 2 2 MET HB2 H 1 2.030 0.00 . . . . . . A 2 MET HB2 . 30434 1 3 . 1 1 2 2 MET HG2 H 1 2.565 0.00 . . . . . . A 2 MET HG2 . 30434 1 4 . 1 1 2 2 MET HG3 H 1 2.480 0.00 . . . . . . A 2 MET HG3 . 30434 1 5 . 1 1 2 2 MET CA C 13 53.088 0.00 . . . . . . A 2 MET CA . 30434 1 6 . 1 1 3 3 ARG H H 1 8.628 0.00 . . . . . . A 3 ARG H . 30434 1 7 . 1 1 3 3 ARG HA H 1 4.411 0.00 . . . . . . A 3 ARG HA . 30434 1 8 . 1 1 3 3 ARG HB2 H 1 1.938 0.00 . . . . . . A 3 ARG HB2 . 30434 1 9 . 1 1 3 3 ARG HB3 H 1 1.788 0.00 . . . . . . A 3 ARG HB3 . 30434 1 10 . 1 1 3 3 ARG HG2 H 1 1.658 0.00 . . . . . . A 3 ARG HG2 . 30434 1 11 . 1 1 3 3 ARG HG3 H 1 1.563 0.00 . . . . . . A 3 ARG HG3 . 30434 1 12 . 1 1 3 3 ARG HD2 H 1 3.181 0.00 . . . . . . A 3 ARG HD2 . 30434 1 13 . 1 1 3 3 ARG HE H 1 7.435 0.00 . . . . . . A 3 ARG HE . 30434 1 14 . 1 1 3 3 ARG CA C 13 53.863 0.00 . . . . . . A 3 ARG CA . 30434 1 15 . 1 1 3 3 ARG CB C 13 27.938 0.00 . . . . . . A 3 ARG CB . 30434 1 16 . 1 1 3 3 ARG N N 15 124.309 0.00 . . . . . . A 3 ARG N . 30434 1 17 . 1 1 4 4 ILE H H 1 8.946 0.00 . . . . . . A 4 ILE H . 30434 1 18 . 1 1 4 4 ILE HA H 1 3.784 0.00 . . . . . . A 4 ILE HA . 30434 1 19 . 1 1 4 4 ILE HB H 1 1.943 0.00 . . . . . . A 4 ILE HB . 30434 1 20 . 1 1 4 4 ILE HG12 H 1 1.243 0.00 . . . . . . A 4 ILE HG12 . 30434 1 21 . 1 1 4 4 ILE HG21 H 1 0.880 0.00 . . . . . . A 4 ILE HG21 . 30434 1 22 . 1 1 4 4 ILE HG22 H 1 0.880 0.00 . . . . . . A 4 ILE HG22 . 30434 1 23 . 1 1 4 4 ILE HG23 H 1 0.880 0.00 . . . . . . A 4 ILE HG23 . 30434 1 24 . 1 1 4 4 ILE HD11 H 1 0.826 0.00 . . . . . . A 4 ILE HD11 . 30434 1 25 . 1 1 4 4 ILE HD12 H 1 0.826 0.00 . . . . . . A 4 ILE HD12 . 30434 1 26 . 1 1 4 4 ILE HD13 H 1 0.826 0.00 . . . . . . A 4 ILE HD13 . 30434 1 27 . 1 1 4 4 ILE CA C 13 61.128 0.00 . . . . . . A 4 ILE CA . 30434 1 28 . 1 1 4 4 ILE CB C 13 34.873 0.00 . . . . . . A 4 ILE CB . 30434 1 29 . 1 1 4 4 ILE N N 15 122.418 0.00 . . . . . . A 4 ILE N . 30434 1 30 . 1 1 5 5 SER H H 1 8.467 0.00 . . . . . . A 5 SER H . 30434 1 31 . 1 1 5 5 SER HA H 1 3.865 0.00 . . . . . . A 5 SER HA . 30434 1 32 . 1 1 5 5 SER HB2 H 1 3.814 0.00 . . . . . . A 5 SER HB2 . 30434 1 33 . 1 1 5 5 SER HB3 H 1 3.786 0.00 . . . . . . A 5 SER HB3 . 30434 1 34 . 1 1 5 5 SER CA C 13 59.152 0.00 . . . . . . A 5 SER CA . 30434 1 35 . 1 1 5 5 SER CB C 13 59.594 0.00 . . . . . . A 5 SER CB . 30434 1 36 . 1 1 5 5 SER N N 15 115.260 0.00 . . . . . . A 5 SER N . 30434 1 37 . 1 1 6 6 ARG H H 1 7.185 0.01 . . . . . . A 6 ARG H . 30434 1 38 . 1 1 6 6 ARG HA H 1 3.973 0.00 . . . . . . A 6 ARG HA . 30434 1 39 . 1 1 6 6 ARG HB2 H 1 1.999 0.00 . . . . . . A 6 ARG HB2 . 30434 1 40 . 1 1 6 6 ARG HB3 H 1 1.867 0.00 . . . . . . A 6 ARG HB3 . 30434 1 41 . 1 1 6 6 ARG HG2 H 1 1.693 0.00 . . . . . . A 6 ARG HG2 . 30434 1 42 . 1 1 6 6 ARG HG3 H 1 1.635 0.00 . . . . . . A 6 ARG HG3 . 30434 1 43 . 1 1 6 6 ARG HD2 H 1 3.180 0.00 . . . . . . A 6 ARG HD2 . 30434 1 44 . 1 1 6 6 ARG HE H 1 7.500 0.00 . . . . . . A 6 ARG HE . 30434 1 45 . 1 1 6 6 ARG CA C 13 55.765 0.00 . . . . . . A 6 ARG CA . 30434 1 46 . 1 1 6 6 ARG CB C 13 27.427 0.00 . . . . . . A 6 ARG CB . 30434 1 47 . 1 1 6 6 ARG N N 15 121.196 0.00 . . . . . . A 6 ARG N . 30434 1 48 . 1 1 7 7 ILE H H 1 7.650 0.00 . . . . . . A 7 ILE H . 30434 1 49 . 1 1 7 7 ILE HA H 1 3.822 0.00 . . . . . . A 7 ILE HA . 30434 1 50 . 1 1 7 7 ILE HB H 1 1.959 0.00 . . . . . . A 7 ILE HB . 30434 1 51 . 1 1 7 7 ILE HG12 H 1 1.695 0.00 . . . . . . A 7 ILE HG12 . 30434 1 52 . 1 1 7 7 ILE HG13 H 1 1.174 0.00 . . . . . . A 7 ILE HG13 . 30434 1 53 . 1 1 7 7 ILE HG21 H 1 0.884 0.00 . . . . . . A 7 ILE HG21 . 30434 1 54 . 1 1 7 7 ILE HG22 H 1 0.884 0.00 . . . . . . A 7 ILE HG22 . 30434 1 55 . 1 1 7 7 ILE HG23 H 1 0.884 0.00 . . . . . . A 7 ILE HG23 . 30434 1 56 . 1 1 7 7 ILE HD11 H 1 0.827 0.00 . . . . . . A 7 ILE HD11 . 30434 1 57 . 1 1 7 7 ILE HD12 H 1 0.827 0.00 . . . . . . A 7 ILE HD12 . 30434 1 58 . 1 1 7 7 ILE HD13 H 1 0.827 0.00 . . . . . . A 7 ILE HD13 . 30434 1 59 . 1 1 7 7 ILE CA C 13 61.996 0.00 . . . . . . A 7 ILE CA . 30434 1 60 . 1 1 7 7 ILE CB C 13 35.549 0.00 . . . . . . A 7 ILE CB . 30434 1 61 . 1 1 7 7 ILE N N 15 118.886 0.00 . . . . . . A 7 ILE N . 30434 1 62 . 1 1 8 8 ILE H H 1 7.870 0.00 . . . . . . A 8 ILE H . 30434 1 63 . 1 1 8 8 ILE HA H 1 3.655 0.00 . . . . . . A 8 ILE HA . 30434 1 64 . 1 1 8 8 ILE HB H 1 1.876 0.00 . . . . . . A 8 ILE HB . 30434 1 65 . 1 1 8 8 ILE HG12 H 1 1.802 0.00 . . . . . . A 8 ILE HG12 . 30434 1 66 . 1 1 8 8 ILE HG13 H 1 0.997 0.00 . . . . . . A 8 ILE HG13 . 30434 1 67 . 1 1 8 8 ILE HG21 H 1 0.861 0.00 . . . . . . A 8 ILE HG21 . 30434 1 68 . 1 1 8 8 ILE HG22 H 1 0.861 0.00 . . . . . . A 8 ILE HG22 . 30434 1 69 . 1 1 8 8 ILE HG23 H 1 0.861 0.00 . . . . . . A 8 ILE HG23 . 30434 1 70 . 1 1 8 8 ILE HD11 H 1 0.767 0.00 . . . . . . A 8 ILE HD11 . 30434 1 71 . 1 1 8 8 ILE HD12 H 1 0.767 0.00 . . . . . . A 8 ILE HD12 . 30434 1 72 . 1 1 8 8 ILE HD13 H 1 0.767 0.00 . . . . . . A 8 ILE HD13 . 30434 1 73 . 1 1 8 8 ILE CA C 13 62.856 0.00 . . . . . . A 8 ILE CA . 30434 1 74 . 1 1 8 8 ILE CB C 13 35.312 0.00 . . . . . . A 8 ILE CB . 30434 1 75 . 1 1 8 8 ILE N N 15 118.351 0.00 . . . . . . A 8 ILE N . 30434 1 76 . 1 1 9 9 LEU H H 1 8.141 0.00 . . . . . . A 9 LEU H . 30434 1 77 . 1 1 9 9 LEU HA H 1 3.970 0.00 . . . . . . A 9 LEU HA . 30434 1 78 . 1 1 9 9 LEU HB2 H 1 1.878 0.00 . . . . . . A 9 LEU HB2 . 30434 1 79 . 1 1 9 9 LEU HB3 H 1 1.506 0.00 . . . . . . A 9 LEU HB3 . 30434 1 80 . 1 1 9 9 LEU HG H 1 1.835 0.00 . . . . . . A 9 LEU HG . 30434 1 81 . 1 1 9 9 LEU HD11 H 1 0.870 0.00 . . . . . . A 9 LEU HD11 . 30434 1 82 . 1 1 9 9 LEU HD12 H 1 0.870 0.00 . . . . . . A 9 LEU HD12 . 30434 1 83 . 1 1 9 9 LEU HD13 H 1 0.870 0.00 . . . . . . A 9 LEU HD13 . 30434 1 84 . 1 1 9 9 LEU HD21 H 1 0.770 0.00 . . . . . . A 9 LEU HD21 . 30434 1 85 . 1 1 9 9 LEU HD22 H 1 0.770 0.00 . . . . . . A 9 LEU HD22 . 30434 1 86 . 1 1 9 9 LEU HD23 H 1 0.770 0.00 . . . . . . A 9 LEU HD23 . 30434 1 87 . 1 1 9 9 LEU CB C 13 38.887 0.00 . . . . . . A 9 LEU CB . 30434 1 88 . 1 1 9 9 LEU N N 15 119.283 0.00 . . . . . . A 9 LEU N . 30434 1 89 . 1 1 10 10 ASP H H 1 8.550 0.00 . . . . . . A 10 ASP H . 30434 1 90 . 1 1 10 10 ASP HA H 1 4.352 0.00 . . . . . . A 10 ASP HA . 30434 1 91 . 1 1 10 10 ASP HB2 H 1 2.889 0.01 . . . . . . A 10 ASP HB2 . 30434 1 92 . 1 1 10 10 ASP HB3 H 1 2.567 0.00 . . . . . . A 10 ASP HB3 . 30434 1 93 . 1 1 10 10 ASP CA C 13 54.856 0.00 . . . . . . A 10 ASP CA . 30434 1 94 . 1 1 10 10 ASP CB C 13 37.197 0.00 . . . . . . A 10 ASP CB . 30434 1 95 . 1 1 10 10 ASP N N 15 118.327 0.00 . . . . . . A 10 ASP N . 30434 1 96 . 1 1 11 11 PHE H H 1 7.727 0.00 . . . . . . A 11 PHE H . 30434 1 97 . 1 1 11 11 PHE HA H 1 4.361 0.00 . . . . . . A 11 PHE HA . 30434 1 98 . 1 1 11 11 PHE HB2 H 1 3.234 0.00 . . . . . . A 11 PHE HB2 . 30434 1 99 . 1 1 11 11 PHE HB3 H 1 3.174 0.00 . . . . . . A 11 PHE HB3 . 30434 1 100 . 1 1 11 11 PHE HE2 H 1 7.195 0.00 . . . . . . A 11 PHE HE2 . 30434 1 101 . 1 1 11 11 PHE CA C 13 58.315 0.00 . . . . . . A 11 PHE CA . 30434 1 102 . 1 1 11 11 PHE CB C 13 36.983 0.00 . . . . . . A 11 PHE CB . 30434 1 103 . 1 1 11 11 PHE N N 15 119.355 0.00 . . . . . . A 11 PHE N . 30434 1 104 . 1 1 12 12 LEU H H 1 8.193 0.00 . . . . . . A 12 LEU H . 30434 1 105 . 1 1 12 12 LEU HA H 1 3.773 0.00 . . . . . . A 12 LEU HA . 30434 1 106 . 1 1 12 12 LEU HB2 H 1 1.633 0.00 . . . . . . A 12 LEU HB2 . 30434 1 107 . 1 1 12 12 LEU HB3 H 1 1.078 0.00 . . . . . . A 12 LEU HB3 . 30434 1 108 . 1 1 12 12 LEU HG H 1 1.827 0.00 . . . . . . A 12 LEU HG . 30434 1 109 . 1 1 12 12 LEU HD11 H 1 0.869 0.00 . . . . . . A 12 LEU HD11 . 30434 1 110 . 1 1 12 12 LEU HD12 H 1 0.869 0.00 . . . . . . A 12 LEU HD12 . 30434 1 111 . 1 1 12 12 LEU HD13 H 1 0.869 0.00 . . . . . . A 12 LEU HD13 . 30434 1 112 . 1 1 12 12 LEU HD21 H 1 0.765 0.00 . . . . . . A 12 LEU HD21 . 30434 1 113 . 1 1 12 12 LEU HD22 H 1 0.765 0.00 . . . . . . A 12 LEU HD22 . 30434 1 114 . 1 1 12 12 LEU HD23 H 1 0.765 0.00 . . . . . . A 12 LEU HD23 . 30434 1 115 . 1 1 12 12 LEU CA C 13 54.529 0.00 . . . . . . A 12 LEU CA . 30434 1 116 . 1 1 12 12 LEU CB C 13 39.757 0.00 . . . . . . A 12 LEU CB . 30434 1 117 . 1 1 12 12 LEU N N 15 117.058 0.00 . . . . . . A 12 LEU N . 30434 1 118 . 1 1 13 13 PHE H H 1 7.829 0.00 . . . . . . A 13 PHE H . 30434 1 119 . 1 1 13 13 PHE HA H 1 4.536 0.00 . . . . . . A 13 PHE HA . 30434 1 120 . 1 1 13 13 PHE HB2 H 1 3.288 0.00 . . . . . . A 13 PHE HB2 . 30434 1 121 . 1 1 13 13 PHE HB3 H 1 2.905 0.00 . . . . . . A 13 PHE HB3 . 30434 1 122 . 1 1 13 13 PHE HD2 H 1 7.224 0.00 . . . . . . A 13 PHE HD2 . 30434 1 123 . 1 1 13 13 PHE HE2 H 1 7.368 0.00 . . . . . . A 13 PHE HE2 . 30434 1 124 . 1 1 13 13 PHE CA C 13 55.001 0.00 . . . . . . A 13 PHE CA . 30434 1 125 . 1 1 13 13 PHE CB C 13 36.544 0.00 . . . . . . A 13 PHE CB . 30434 1 126 . 1 1 13 13 PHE N N 15 111.820 0.00 . . . . . . A 13 PHE N . 30434 1 127 . 1 1 14 14 LEU H H 1 7.628 0.00 . . . . . . A 14 DLE H . 30434 1 128 . 1 1 14 14 LEU N N 15 122.659 0.00 . . . . . . A 14 DLE N . 30434 1 129 . 1 1 14 14 LEU CA C 13 54.573 0.00 . . . . . . A 14 DLE CA . 30434 1 130 . 1 1 14 14 LEU CB C 13 39.594 0.00 . . . . . . A 14 DLE CB . 30434 1 131 . 1 1 14 14 LEU HA H 1 4.035 0.00 . . . . . . A 14 DLE HA . 30434 1 132 . 1 1 14 14 LEU HB2 H 1 1.744 0.00 . . . . . . A 14 DLE HB2 . 30434 1 133 . 1 1 14 14 LEU HB3 H 1 1.550 0.00 . . . . . . A 14 DLE HB3 . 30434 1 134 . 1 1 14 14 LEU HD11 H 1 0.810 0.00 . . . . . . A 14 DLE HD11 . 30434 1 135 . 1 1 14 14 LEU HD12 H 1 0.810 0.00 . . . . . . A 14 DLE HD12 . 30434 1 136 . 1 1 14 14 LEU HD13 H 1 0.810 0.00 . . . . . . A 14 DLE HD13 . 30434 1 137 . 1 1 14 14 LEU HD21 H 1 0.761 0.00 . . . . . . A 14 DLE HD21 . 30434 1 138 . 1 1 14 14 LEU HD22 H 1 0.761 0.00 . . . . . . A 14 DLE HD22 . 30434 1 139 . 1 1 14 14 LEU HD23 H 1 0.761 0.00 . . . . . . A 14 DLE HD23 . 30434 1 140 . 1 1 14 14 LEU HG H 1 1.512 0.00 . . . . . . A 14 DLE HG . 30434 1 141 . 1 1 15 15 ARG H H 1 8.341 0.00 . . . . . . A 15 ARG H . 30434 1 142 . 1 1 15 15 ARG HA H 1 4.232 0.00 . . . . . . A 15 ARG HA . 30434 1 143 . 1 1 15 15 ARG HB2 H 1 1.761 0.00 . . . . . . A 15 ARG HB2 . 30434 1 144 . 1 1 15 15 ARG HB3 H 1 1.702 0.00 . . . . . . A 15 ARG HB3 . 30434 1 145 . 1 1 15 15 ARG HG2 H 1 1.567 0.01 . . . . . . A 15 ARG HG2 . 30434 1 146 . 1 1 15 15 ARG HG3 H 1 1.510 0.00 . . . . . . A 15 ARG HG3 . 30434 1 147 . 1 1 15 15 ARG HD2 H 1 3.114 0.00 . . . . . . A 15 ARG HD2 . 30434 1 148 . 1 1 15 15 ARG HE H 1 7.401 0.00 . . . . . . A 15 ARG HE . 30434 1 149 . 1 1 15 15 ARG CA C 13 53.560 0.00 . . . . . . A 15 ARG CA . 30434 1 150 . 1 1 15 15 ARG CB C 13 27.705 0.00 . . . . . . A 15 ARG CB . 30434 1 151 . 1 1 15 15 ARG N N 15 117.404 0.00 . . . . . . A 15 ARG N . 30434 1 152 . 1 1 16 16 LYS H H 1 8.035 0.00 . . . . . . A 16 LYS H . 30434 1 153 . 1 1 16 16 LYS HA H 1 4.255 0.01 . . . . . . A 16 LYS HA . 30434 1 154 . 1 1 16 16 LYS HB2 H 1 1.753 0.00 . . . . . . A 16 LYS HB2 . 30434 1 155 . 1 1 16 16 LYS HB3 H 1 1.635 0.00 . . . . . . A 16 LYS HB3 . 30434 1 156 . 1 1 16 16 LYS HG2 H 1 1.358 0.00 . . . . . . A 16 LYS HG2 . 30434 1 157 . 1 1 16 16 LYS HG3 H 1 1.324 0.00 . . . . . . A 16 LYS HG3 . 30434 1 158 . 1 1 16 16 LYS HE2 H 1 2.909 0.00 . . . . . . A 16 LYS HE2 . 30434 1 159 . 1 1 16 16 LYS CA C 13 53.381 0.00 . . . . . . A 16 LYS CA . 30434 1 160 . 1 1 16 16 LYS CB C 13 30.927 0.00 . . . . . . A 16 LYS CB . 30434 1 161 . 1 1 16 16 LYS N N 15 122.455 0.00 . . . . . . A 16 LYS N . 30434 1 162 . 1 1 17 17 LYS H H 1 7.925 0.00 . . . . . . A 17 LYS H . 30434 1 163 . 1 1 17 17 LYS HA H 1 4.076 0.00 . . . . . . A 17 LYS HA . 30434 1 164 . 1 1 17 17 LYS HB2 H 1 1.744 0.01 . . . . . . A 17 LYS HB2 . 30434 1 165 . 1 1 17 17 LYS HB3 H 1 1.634 0.00 . . . . . . A 17 LYS HB3 . 30434 1 166 . 1 1 17 17 LYS HG2 H 1 1.319 0.00 . . . . . . A 17 LYS HG2 . 30434 1 167 . 1 1 17 17 LYS CA C 13 54.997 0.00 . . . . . . A 17 LYS CA . 30434 1 168 . 1 1 17 17 LYS CB C 13 30.983 0.00 . . . . . . A 17 LYS CB . 30434 1 169 . 1 1 17 17 LYS N N 15 128.017 0.00 . . . . . . A 17 LYS N . 30434 1 stop_ save_