################################### # 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 18644 _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' . . . 18644 1 6 '2D 1H-13C HSQC' . . . 18644 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 4.001 0.000 . . . . . A 1 GLY HA2 . 18644 1 2 . 1 1 1 1 GLY HA3 H 1 3.513 0.000 . . . . . A 1 GLY HA3 . 18644 1 3 . 1 1 1 1 GLY H H 1 8.375 0.000 . . . . . A 1 GLY H1 . 18644 1 4 . 1 1 1 1 GLY CA C 13 46.450 0.000 . . . . . A 1 GLY CA . 18644 1 5 . 1 1 2 2 ARG H H 1 8.439 0.001 . . . . . A 2 ARG H . 18644 1 6 . 1 1 2 2 ARG HA H 1 4.080 0.000 . . . . . A 2 ARG HA . 18644 1 7 . 1 1 2 2 ARG HB2 H 1 1.522 0.000 . . . . . A 2 ARG HB2 . 18644 1 8 . 1 1 2 2 ARG HB3 H 1 1.340 0.000 . . . . . A 2 ARG HB3 . 18644 1 9 . 1 1 2 2 ARG HG2 H 1 1.309 0.000 . . . . . A 2 ARG HG2 . 18644 1 10 . 1 1 2 2 ARG HG3 H 1 1.169 0.000 . . . . . A 2 ARG HG3 . 18644 1 11 . 1 1 2 2 ARG HD2 H 1 2.938 0.000 . . . . . A 2 ARG QD . 18644 1 12 . 1 1 2 2 ARG HD3 H 1 2.938 0.000 . . . . . A 2 ARG HD3 . 18644 1 13 . 1 1 2 2 ARG HE H 1 6.969 0.000 . . . . . A 2 ARG HE . 18644 1 14 . 1 1 2 2 ARG CA C 13 55.903 0.000 . . . . . A 2 ARG CA . 18644 1 15 . 1 1 2 2 ARG CB C 13 30.356 0.000 . . . . . A 2 ARG CB . 18644 1 16 . 1 1 2 2 ARG CG C 13 26.581 0.000 . . . . . A 2 ARG CG . 18644 1 17 . 1 1 3 3 TYR H H 1 7.729 0.000 . . . . . A 3 TYR H . 18644 1 18 . 1 1 3 3 TYR HA H 1 4.560 0.000 . . . . . A 3 TYR HA . 18644 1 19 . 1 1 3 3 TYR HB2 H 1 2.893 0.000 . . . . . A 3 TYR HB2 . 18644 1 20 . 1 1 3 3 TYR HB3 H 1 2.791 0.000 . . . . . A 3 TYR HB3 . 18644 1 21 . 1 1 3 3 TYR HD1 H 1 7.060 0.000 . . . . . A 3 TYR HD1 . 18644 1 22 . 1 1 3 3 TYR HD2 H 1 7.060 0.000 . . . . . A 3 TYR HD2 . 18644 1 23 . 1 1 3 3 TYR HE1 H 1 6.715 0.000 . . . . . A 3 TYR HE1 . 18644 1 24 . 1 1 3 3 TYR HE2 H 1 6.715 0.000 . . . . . A 3 TYR HE2 . 18644 1 25 . 1 1 3 3 TYR CA C 13 56.937 0.000 . . . . . A 3 TYR CA . 18644 1 26 . 1 1 3 3 TYR CB C 13 39.850 0.000 . . . . . A 3 TYR CB . 18644 1 27 . 1 1 4 4 ARG H H 1 8.414 0.000 . . . . . A 4 ARG H . 18644 1 28 . 1 1 4 4 ARG HA H 1 4.522 0.000 . . . . . A 4 ARG HA . 18644 1 29 . 1 1 4 4 ARG HB2 H 1 1.645 0.000 . . . . . A 4 ARG HB2 . 18644 1 30 . 1 1 4 4 ARG HB3 H 1 1.454 0.000 . . . . . A 4 ARG HB3 . 18644 1 31 . 1 1 4 4 ARG HG2 H 1 1.257 0.000 . . . . . A 4 ARG QG . 18644 1 32 . 1 1 4 4 ARG HG3 H 1 1.257 0.000 . . . . . A 4 ARG HG3 . 18644 1 33 . 1 1 4 4 ARG HD2 H 1 2.955 0.000 . . . . . A 4 ARG QD . 18644 1 34 . 1 1 4 4 ARG HD3 H 1 2.955 0.000 . . . . . A 4 ARG HD3 . 18644 1 35 . 1 1 4 4 ARG HE H 1 7.051 0.000 . . . . . A 4 ARG HE . 18644 1 36 . 1 1 4 4 ARG CA C 13 55.663 0.000 . . . . . A 4 ARG CA . 18644 1 37 . 1 1 4 4 ARG CB C 13 31.104 0.000 . . . . . A 4 ARG CB . 18644 1 38 . 1 1 4 4 ARG CG C 13 27.641 0.000 . . . . . A 4 ARG CG . 18644 1 39 . 1 1 5 5 ARG H H 1 8.698 0.000 . . . . . A 5 ARG H . 18644 1 40 . 1 1 5 5 ARG HA H 1 4.353 0.000 . . . . . A 5 ARG HA . 18644 1 41 . 1 1 5 5 ARG HB2 H 1 1.352 0.000 . . . . . A 5 ARG HB2 . 18644 1 42 . 1 1 5 5 ARG HB3 H 1 1.164 0.000 . . . . . A 5 ARG HB3 . 18644 1 43 . 1 1 5 5 ARG HG2 H 1 1.436 0.000 . . . . . A 5 ARG HG2 . 18644 1 44 . 1 1 5 5 ARG HG3 H 1 1.350 0.000 . . . . . A 5 ARG HG3 . 18644 1 45 . 1 1 5 5 ARG HD2 H 1 3.069 0.000 . . . . . A 5 ARG HD2 . 18644 1 46 . 1 1 5 5 ARG HD3 H 1 3.001 0.000 . . . . . A 5 ARG HD3 . 18644 1 47 . 1 1 5 5 ARG HE H 1 7.633 0.000 . . . . . A 5 ARG HE . 18644 1 48 . 1 1 5 5 ARG CA C 13 54.612 0.000 . . . . . A 5 ARG CA . 18644 1 49 . 1 1 5 5 ARG CB C 13 31.884 0.000 . . . . . A 5 ARG CB . 18644 1 50 . 1 1 5 5 ARG CG C 13 27.142 0.000 . . . . . A 5 ARG CG . 18644 1 51 . 1 1 6 6 CYS H H 1 8.388 0.000 . . . . . A 6 CYS H . 18644 1 52 . 1 1 6 6 CYS HA H 1 5.598 0.000 . . . . . A 6 CYS HA . 18644 1 53 . 1 1 6 6 CYS HB2 H 1 2.763 0.000 . . . . . A 6 CYS HB2 . 18644 1 54 . 1 1 6 6 CYS HB3 H 1 2.635 0.000 . . . . . A 6 CYS HB3 . 18644 1 55 . 1 1 6 6 CYS CA C 13 54.999 0.000 . . . . . A 6 CYS CA . 18644 1 56 . 1 1 7 7 ILE H H 1 9.018 0.000 . . . . . A 7 ILE H . 18644 1 57 . 1 1 7 7 ILE HA H 1 4.606 0.000 . . . . . A 7 ILE HA . 18644 1 58 . 1 1 7 7 ILE HB H 1 2.029 0.000 . . . . . A 7 ILE HB . 18644 1 59 . 1 1 7 7 ILE HG12 H 1 1.597 0.000 . . . . . A 7 ILE HG12 . 18644 1 60 . 1 1 7 7 ILE HG13 H 1 1.361 0.000 . . . . . A 7 ILE HG13 . 18644 1 61 . 1 1 7 7 ILE HG21 H 1 0.991 0.000 . . . . . A 7 ILE HG21 . 18644 1 62 . 1 1 7 7 ILE HG22 H 1 0.991 0.000 . . . . . A 7 ILE HG22 . 18644 1 63 . 1 1 7 7 ILE HG23 H 1 0.991 0.000 . . . . . A 7 ILE HG23 . 18644 1 64 . 1 1 7 7 ILE HD11 H 1 0.913 0.000 . . . . . A 7 ILE HD11 . 18644 1 65 . 1 1 7 7 ILE HD12 H 1 0.913 0.000 . . . . . A 7 ILE HD12 . 18644 1 66 . 1 1 7 7 ILE HD13 H 1 0.913 0.000 . . . . . A 7 ILE HD13 . 18644 1 67 . 1 1 7 7 ILE CA C 13 58.210 0.000 . . . . . A 7 ILE CA . 18644 1 68 . 1 1 7 7 ILE CB C 13 39.448 0.000 . . . . . A 7 ILE CB . 18644 1 69 . 1 1 7 7 ILE CG1 C 13 26.706 0.000 . . . . . A 7 ILE CG1 . 18644 1 70 . 1 1 7 7 ILE CG2 C 13 17.284 0.000 . . . . . A 7 ILE CG2 . 18644 1 71 . 1 1 7 7 ILE CD1 C 13 12.857 0.000 . . . . . A 7 ILE CD1 . 18644 1 72 . 1 1 8 8 PRO HA H 1 4.331 0.000 . . . . . A 8 PRO HA . 18644 1 73 . 1 1 8 8 PRO HB2 H 1 2.226 0.000 . . . . . A 8 PRO HB2 . 18644 1 74 . 1 1 8 8 PRO HB3 H 1 1.833 0.000 . . . . . A 8 PRO HB3 . 18644 1 75 . 1 1 8 8 PRO HG2 H 1 2.024 0.000 . . . . . A 8 PRO HG2 . 18644 1 76 . 1 1 8 8 PRO HG3 H 1 1.891 0.000 . . . . . A 8 PRO HG3 . 18644 1 77 . 1 1 8 8 PRO HD2 H 1 3.827 0.000 . . . . . A 8 PRO HD2 . 18644 1 78 . 1 1 8 8 PRO HD3 H 1 3.671 0.000 . . . . . A 8 PRO HD3 . 18644 1 79 . 1 1 8 8 PRO CA C 13 63.543 0.000 . . . . . A 8 PRO CA . 18644 1 80 . 1 1 8 8 PRO CB C 13 32.165 0.000 . . . . . A 8 PRO CB . 18644 1 81 . 1 1 8 8 PRO CG C 13 27.423 0.000 . . . . . A 8 PRO CG . 18644 1 82 . 1 1 8 8 PRO CD C 13 51.005 0.000 . . . . . A 8 PRO CD . 18644 1 83 . 1 1 9 9 GLY H H 1 8.000 0.000 . . . . . A 9 GLY H . 18644 1 84 . 1 1 9 9 GLY HA2 H 1 4.126 0.000 . . . . . A 9 GLY HA2 . 18644 1 85 . 1 1 9 9 GLY HA3 H 1 3.923 0.000 . . . . . A 9 GLY HA3 . 18644 1 86 . 1 1 9 9 GLY CA C 13 44.422 0.000 . . . . . A 9 GLY CA . 18644 1 87 . 1 1 10 10 MET H H 1 8.239 0.000 . . . . . A 10 MET H . 18644 1 88 . 1 1 10 10 MET HA H 1 4.105 0.000 . . . . . A 10 MET HA . 18644 1 89 . 1 1 10 10 MET HB2 H 1 1.791 0.000 . . . . . A 10 MET HB2 . 18644 1 90 . 1 1 10 10 MET HB3 H 1 1.654 0.000 . . . . . A 10 MET HB3 . 18644 1 91 . 1 1 10 10 MET HG2 H 1 2.141 0.000 . . . . . A 10 MET HG2 . 18644 1 92 . 1 1 10 10 MET HG3 H 1 2.017 0.000 . . . . . A 10 MET HG3 . 18644 1 93 . 1 1 10 10 MET HE1 H 1 1.927 0.000 . . . . . A 10 MET HE1 . 18644 1 94 . 1 1 10 10 MET HE2 H 1 1.927 0.000 . . . . . A 10 MET HE2 . 18644 1 95 . 1 1 10 10 MET HE3 H 1 1.927 0.000 . . . . . A 10 MET HE3 . 18644 1 96 . 1 1 10 10 MET CA C 13 56.848 0.000 . . . . . A 10 MET CA . 18644 1 97 . 1 1 10 10 MET CB C 13 32.540 0.000 . . . . . A 10 MET CB . 18644 1 98 . 1 1 10 10 MET CG C 13 31.572 0.000 . . . . . A 10 MET CG . 18644 1 99 . 1 1 10 10 MET CE C 13 16.722 0.000 . . . . . A 10 MET CE . 18644 1 100 . 1 1 11 11 PHE H H 1 8.500 0.000 . . . . . A 11 PHE H . 18644 1 101 . 1 1 11 11 PHE HA H 1 4.574 0.000 . . . . . A 11 PHE HA . 18644 1 102 . 1 1 11 11 PHE HB2 H 1 3.179 0.000 . . . . . A 11 PHE HB2 . 18644 1 103 . 1 1 11 11 PHE HB3 H 1 2.924 0.000 . . . . . A 11 PHE HB3 . 18644 1 104 . 1 1 11 11 PHE HD1 H 1 7.182 0.000 . . . . . A 11 PHE HD1 . 18644 1 105 . 1 1 11 11 PHE HD2 H 1 7.182 0.000 . . . . . A 11 PHE HD2 . 18644 1 106 . 1 1 11 11 PHE HE1 H 1 7.269 0.000 . . . . . A 11 PHE HE1 . 18644 1 107 . 1 1 11 11 PHE HE2 H 1 7.269 0.000 . . . . . A 11 PHE HE2 . 18644 1 108 . 1 1 11 11 PHE HZ H 1 7.222 0.000 . . . . . A 11 PHE HZ . 18644 1 109 . 1 1 11 11 PHE CA C 13 58.122 0.000 . . . . . A 11 PHE CA . 18644 1 110 . 1 1 11 11 PHE CB C 13 39.555 0.000 . . . . . A 11 PHE CB . 18644 1 111 . 1 1 12 12 ARG H H 1 7.721 0.000 . . . . . A 12 ARG H . 18644 1 112 . 1 1 12 12 ARG HA H 1 4.349 0.000 . . . . . A 12 ARG HA . 18644 1 113 . 1 1 12 12 ARG HB2 H 1 1.904 0.000 . . . . . A 12 ARG HB2 . 18644 1 114 . 1 1 12 12 ARG HB3 H 1 1.693 0.000 . . . . . A 12 ARG HB3 . 18644 1 115 . 1 1 12 12 ARG HG2 H 1 1.477 0.000 . . . . . A 12 ARG HG2 . 18644 1 116 . 1 1 12 12 ARG HG3 H 1 1.370 0.000 . . . . . A 12 ARG HG3 . 18644 1 117 . 1 1 12 12 ARG HD2 H 1 3.077 0.000 . . . . . A 12 ARG QD . 18644 1 118 . 1 1 12 12 ARG HD3 H 1 3.077 0.000 . . . . . A 12 ARG HD3 . 18644 1 119 . 1 1 12 12 ARG HE H 1 7.079 0.000 . . . . . A 12 ARG HE . 18644 1 120 . 1 1 12 12 ARG CA C 13 55.153 0.000 . . . . . A 12 ARG CA . 18644 1 121 . 1 1 12 12 ARG CB C 13 31.385 0.000 . . . . . A 12 ARG CB . 18644 1 122 . 1 1 12 12 ARG CG C 13 26.019 0.000 . . . . . A 12 ARG CG . 18644 1 123 . 1 1 13 13 ALA H H 1 8.230 0.000 . . . . . A 13 ALA H . 18644 1 124 . 1 1 13 13 ALA HA H 1 4.385 0.000 . . . . . A 13 ALA HA . 18644 1 125 . 1 1 13 13 ALA HB1 H 1 1.214 0.000 . . . . . A 13 ALA HB1 . 18644 1 126 . 1 1 13 13 ALA HB2 H 1 1.214 0.000 . . . . . A 13 ALA HB2 . 18644 1 127 . 1 1 13 13 ALA HB3 H 1 1.214 0.000 . . . . . A 13 ALA HB3 . 18644 1 128 . 1 1 13 13 ALA CA C 13 52.345 0.000 . . . . . A 13 ALA CA . 18644 1 129 . 1 1 13 13 ALA CB C 13 19.530 0.000 . . . . . A 13 ALA CB . 18644 1 130 . 1 1 14 14 TYR H H 1 8.483 0.000 . . . . . A 14 TYR H . 18644 1 131 . 1 1 14 14 TYR HA H 1 4.738 0.000 . . . . . A 14 TYR HA . 18644 1 132 . 1 1 14 14 TYR HB2 H 1 2.876 0.000 . . . . . A 14 TYR QB . 18644 1 133 . 1 1 14 14 TYR HB3 H 1 2.876 0.000 . . . . . A 14 TYR HB3 . 18644 1 134 . 1 1 14 14 TYR HD1 H 1 7.004 0.000 . . . . . A 14 TYR HD1 . 18644 1 135 . 1 1 14 14 TYR HD2 H 1 7.004 0.000 . . . . . A 14 TYR HD2 . 18644 1 136 . 1 1 14 14 TYR HE1 H 1 6.611 0.000 . . . . . A 14 TYR HE1 . 18644 1 137 . 1 1 14 14 TYR HE2 H 1 6.611 0.000 . . . . . A 14 TYR HE2 . 18644 1 138 . 1 1 14 14 TYR CA C 13 57.025 0.000 . . . . . A 14 TYR CA . 18644 1 139 . 1 1 14 14 TYR CB C 13 39.871 0.000 . . . . . A 14 TYR CB . 18644 1 140 . 1 1 15 15 CYS H H 1 8.230 0.000 . . . . . A 15 CYS H . 18644 1 141 . 1 1 15 15 CYS HA H 1 5.359 0.000 . . . . . A 15 CYS HA . 18644 1 142 . 1 1 15 15 CYS HB2 H 1 2.864 0.000 . . . . . A 15 CYS HB2 . 18644 1 143 . 1 1 15 15 CYS HB3 H 1 2.473 0.000 . . . . . A 15 CYS HB3 . 18644 1 144 . 1 1 15 15 CYS CA C 13 54.922 0.000 . . . . . A 15 CYS CA . 18644 1 145 . 1 1 16 16 TYR H H 1 8.902 0.000 . . . . . A 16 TYR H . 18644 1 146 . 1 1 16 16 TYR HA H 1 4.638 0.000 . . . . . A 16 TYR HA . 18644 1 147 . 1 1 16 16 TYR HB2 H 1 2.853 0.000 . . . . . A 16 TYR HB2 . 18644 1 148 . 1 1 16 16 TYR HB3 H 1 2.776 0.000 . . . . . A 16 TYR HB3 . 18644 1 149 . 1 1 16 16 TYR HD1 H 1 6.715 0.000 . . . . . A 16 TYR HD1 . 18644 1 150 . 1 1 16 16 TYR HD2 H 1 6.715 0.000 . . . . . A 16 TYR HD2 . 18644 1 151 . 1 1 16 16 TYR HE1 H 1 6.566 0.000 . . . . . A 16 TYR HE1 . 18644 1 152 . 1 1 16 16 TYR HE2 H 1 6.566 0.000 . . . . . A 16 TYR HE2 . 18644 1 153 . 1 1 16 16 TYR CA C 13 55.796 0.000 . . . . . A 16 TYR CA . 18644 1 154 . 1 1 16 16 TYR CB C 13 39.930 0.000 . . . . . A 16 TYR CB . 18644 1 155 . 1 1 17 17 MET H H 1 8.443 0.000 . . . . . A 17 MET H . 18644 1 156 . 1 1 17 17 MET HA H 1 4.745 0.000 . . . . . A 17 MET HA . 18644 1 157 . 1 1 17 17 MET HB2 H 1 1.918 0.000 . . . . . A 17 MET QB . 18644 1 158 . 1 1 17 17 MET HB3 H 1 1.918 0.000 . . . . . A 17 MET HB3 . 18644 1 159 . 1 1 17 17 MET HG2 H 1 2.509 0.000 . . . . . A 17 MET HG2 . 18644 1 160 . 1 1 17 17 MET HG3 H 1 2.355 0.000 . . . . . A 17 MET HG3 . 18644 1 161 . 1 1 17 17 MET HE1 H 1 1.776 0.000 . . . . . A 17 MET HE1 . 18644 1 162 . 1 1 17 17 MET HE2 H 1 1.776 0.000 . . . . . A 17 MET HE2 . 18644 1 163 . 1 1 17 17 MET HE3 H 1 1.776 0.000 . . . . . A 17 MET HE3 . 18644 1 164 . 1 1 17 17 MET CA C 13 53.382 0.000 . . . . . A 17 MET CA . 18644 1 165 . 1 1 17 17 MET CB C 13 30.824 0.000 . . . . . A 17 MET CB . 18644 1 166 . 1 1 17 17 MET CG C 13 31.354 0.000 . . . . . A 17 MET CG . 18644 1 167 . 1 1 17 17 MET CE C 13 15.256 0.000 . . . . . A 17 MET CE . 18644 1 168 . 1 1 18 18 ASP H H 1 8.828 0.000 . . . . . A 18 ASP H . 18644 1 169 . 1 1 18 18 ASP HA H 1 4.764 0.000 . . . . . A 18 ASP HA . 18644 1 170 . 1 1 18 18 ASP HB2 H 1 2.901 0.000 . . . . . A 18 ASP HB2 . 18644 1 171 . 1 1 18 18 ASP HB3 H 1 2.380 0.000 . . . . . A 18 ASP HB3 . 18644 1 172 . 1 1 18 18 ASP CA C 13 51.839 0.000 . . . . . A 18 ASP CA . 18644 1 173 . 1 1 18 18 ASP CB C 13 39.682 0.000 . . . . . A 18 ASP CB . 18644 1 stop_ save_