################################### # 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 17908 _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 '15N-edited 3D NOESY-HSQC' . . . 17908 1 2 15N,1H-HSQC . . . 17908 1 3 1H,1H-TOCSY . . . 17908 1 4 1H,1H-NOESY . . . 17908 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 ALA H H 1 8.243 0.000 . 1 . . . . 1 ALA H . 17908 1 2 . 1 1 1 1 ALA HA H 1 4.632 0.001 . 1 . . . A 1 ALA HA . 17908 1 3 . 1 1 1 1 ALA HB1 H 1 1.369 0.002 . 1 . . . A 1 ALA HB1 . 17908 1 4 . 1 1 1 1 ALA HB2 H 1 1.369 0.002 . 1 . . . A 1 ALA HB2 . 17908 1 5 . 1 1 1 1 ALA HB3 H 1 1.369 0.002 . 1 . . . A 1 ALA HB3 . 17908 1 6 . 1 1 2 2 CYS H H 1 7.866 0.000 . 1 . . . A 2 CYS H . 17908 1 7 . 1 1 2 2 CYS HA H 1 4.724 0.000 . 1 . . . A 2 CYS HA . 17908 1 8 . 1 1 2 2 CYS HB2 H 1 2.914 0.000 . 2 . . . A 2 CYS HB2 . 17908 1 9 . 1 1 2 2 CYS HB3 H 1 3.202 0.003 . 2 . . . A 2 CYS HB3 . 17908 1 10 . 1 1 3 3 VAL H H 1 9.431 0.003 . 1 . . . A 3 VAL H . 17908 1 11 . 1 1 3 3 VAL HA H 1 4.013 0.001 . 1 . . . A 3 VAL HA . 17908 1 12 . 1 1 3 3 VAL HB H 1 2.013 0.003 . 1 . . . A 3 VAL HB . 17908 1 13 . 1 1 3 3 VAL HG11 H 1 0.870 0.000 . 1 . . . A 3 VAL HG11 . 17908 1 14 . 1 1 3 3 VAL HG12 H 1 0.870 0.000 . 1 . . . A 3 VAL HG12 . 17908 1 15 . 1 1 3 3 VAL HG13 H 1 0.870 0.000 . 1 . . . A 3 VAL HG13 . 17908 1 16 . 1 1 3 3 VAL HG21 H 1 0.870 0.000 . 1 . . . A 3 VAL HG21 . 17908 1 17 . 1 1 3 3 VAL HG22 H 1 0.870 0.000 . 1 . . . A 3 VAL HG22 . 17908 1 18 . 1 1 3 3 VAL HG23 H 1 0.870 0.000 . 1 . . . A 3 VAL HG23 . 17908 1 19 . 1 1 4 4 THR H H 1 7.982 0.001 . 1 . . . A 4 THR H . 17908 1 20 . 1 1 4 4 THR HA H 1 4.623 0.000 . 1 . . . A 4 THR HA . 17908 1 21 . 1 1 4 4 THR HB H 1 4.388 0.002 . 1 . . . A 4 THR HB . 17908 1 22 . 1 1 4 4 THR HG21 H 1 1.114 0.000 . 1 . . . A 4 THR HG21 . 17908 1 23 . 1 1 4 4 THR HG22 H 1 1.114 0.000 . 1 . . . A 4 THR HG22 . 17908 1 24 . 1 1 4 4 THR HG23 H 1 1.114 0.000 . 1 . . . A 4 THR HG23 . 17908 1 25 . 1 1 5 5 HIS H H 1 8.195 0.002 . 1 . . . A 5 HIS H . 17908 1 26 . 1 1 5 5 HIS HA H 1 4.182 0.003 . 1 . . . A 5 HIS HA . 17908 1 27 . 1 1 5 5 HIS HB2 H 1 3.143 0.060 . 2 . . . A 5 HIS HB2 . 17908 1 28 . 1 1 5 5 HIS HB3 H 1 3.292 0.048 . 2 . . . A 5 HIS HB3 . 17908 1 29 . 1 1 5 5 HIS HD1 H 1 7.192 0.003 . 1 . . . A 5 HIS HD1 . 17908 1 30 . 1 1 6 6 GLU H H 1 8.521 0.001 . 1 . . . A 6 GLU H . 17908 1 31 . 1 1 6 6 GLU HA H 1 4.003 0.001 . 1 . . . A 6 GLU HA . 17908 1 32 . 1 1 6 6 GLU HB2 H 1 1.881 0.005 . 2 . . . A 6 GLU HB2 . 17908 1 33 . 1 1 6 6 GLU HB3 H 1 1.947 0.000 . 2 . . . A 6 GLU HB3 . 17908 1 34 . 1 1 6 6 GLU HG2 H 1 2.165 0.003 . 2 . . . A 6 GLU HG2 . 17908 1 35 . 1 1 6 6 GLU HG3 H 1 2.322 0.002 . 2 . . . A 6 GLU HG3 . 17908 1 36 . 1 1 7 7 ASP H H 1 7.563 0.001 . 1 . . . A 7 ASP H . 17908 1 37 . 1 1 7 7 ASP HA H 1 4.450 0.000 . 1 . . . A 7 ASP HA . 17908 1 38 . 1 1 7 7 ASP HB2 H 1 3.007 0.002 . 2 . . . A 7 ASP HB2 . 17908 1 39 . 1 1 7 7 ASP HB3 H 1 2.825 0.002 . 2 . . . A 7 ASP HB3 . 17908 1 40 . 1 1 8 8 CYS H H 1 7.880 0.002 . 1 . . . A 8 CYS H . 17908 1 41 . 1 1 8 8 CYS HA H 1 4.806 0.000 . 1 . . . A 8 CYS HA . 17908 1 42 . 1 1 8 8 CYS HB2 H 1 2.593 0.004 . 2 . . . A 8 CYS HB2 . 17908 1 43 . 1 1 8 8 CYS HB3 H 1 3.020 0.004 . 2 . . . A 8 CYS HB3 . 17908 1 44 . 1 1 9 9 THR H H 1 7.657 0.001 . 1 . . . A 9 THR H . 17908 1 45 . 1 1 9 9 THR HA H 1 3.881 0.001 . 1 . . . A 9 THR HA . 17908 1 46 . 1 1 9 9 THR HB H 1 4.125 0.001 . 1 . . . A 9 THR HB . 17908 1 47 . 1 1 9 9 THR HG21 H 1 1.216 0.000 . 1 . . . A 9 THR HG21 . 17908 1 48 . 1 1 9 9 THR HG22 H 1 1.216 0.000 . 1 . . . A 9 THR HG22 . 17908 1 49 . 1 1 9 9 THR HG23 H 1 1.216 0.000 . 1 . . . A 9 THR HG23 . 17908 1 50 . 1 1 10 10 LEU H H 1 7.974 0.002 . 1 . . . A 10 LEU H . 17908 1 51 . 1 1 10 10 LEU HA H 1 4.185 0.000 . 1 . . . A 10 LEU HA . 17908 1 52 . 1 1 10 10 LEU HB2 H 1 1.533 0.002 . 2 . . . A 10 LEU HB2 . 17908 1 53 . 1 1 10 10 LEU HB3 H 1 1.646 0.002 . 2 . . . A 10 LEU HB3 . 17908 1 54 . 1 1 10 10 LEU HG H 1 1.584 0.002 . 1 . . . A 10 LEU HG . 17908 1 55 . 1 1 10 10 LEU HD11 H 1 0.807 0.003 . 1 . . . A 10 LEU HD11 . 17908 1 56 . 1 1 10 10 LEU HD12 H 1 0.807 0.003 . 1 . . . A 10 LEU HD12 . 17908 1 57 . 1 1 10 10 LEU HD13 H 1 0.807 0.003 . 1 . . . A 10 LEU HD13 . 17908 1 58 . 1 1 10 10 LEU HD21 H 1 0.865 0.009 . 1 . . . A 10 LEU HD21 . 17908 1 59 . 1 1 10 10 LEU HD22 H 1 0.865 0.009 . 1 . . . A 10 LEU HD22 . 17908 1 60 . 1 1 10 10 LEU HD23 H 1 0.865 0.009 . 1 . . . A 10 LEU HD23 . 17908 1 61 . 1 1 11 11 LEU H H 1 7.435 0.002 . 1 . . . A 11 LEU H . 17908 1 62 . 1 1 11 11 LEU HA H 1 4.181 0.005 . 1 . . . A 11 LEU HA . 17908 1 63 . 1 1 11 11 LEU HB2 H 1 1.645 0.002 . 2 . . . A 11 LEU HB2 . 17908 1 64 . 1 1 11 11 LEU HB3 H 1 1.645 0.002 . 2 . . . A 11 LEU HB3 . 17908 1 65 . 1 1 11 11 LEU HG H 1 1.576 0.004 . 1 . . . A 11 LEU HG . 17908 1 66 . 1 1 11 11 LEU HD11 H 1 0.802 0.000 . 1 . . . A 11 LEU HD11 . 17908 1 67 . 1 1 11 11 LEU HD12 H 1 0.802 0.000 . 1 . . . A 11 LEU HD12 . 17908 1 68 . 1 1 11 11 LEU HD13 H 1 0.802 0.000 . 1 . . . A 11 LEU HD13 . 17908 1 69 . 1 1 11 11 LEU HD21 H 1 0.880 0.000 . 1 . . . A 11 LEU HD21 . 17908 1 70 . 1 1 11 11 LEU HD22 H 1 0.880 0.000 . 1 . . . A 11 LEU HD22 . 17908 1 71 . 1 1 11 11 LEU HD23 H 1 0.880 0.000 . 1 . . . A 11 LEU HD23 . 17908 1 72 . 1 1 12 12 CYS H H 1 7.868 0.001 . 1 . . . A 12 CYS H . 17908 1 73 . 1 1 12 12 CYS HA H 1 4.279 0.003 . 1 . . . A 12 CYS HA . 17908 1 74 . 1 1 12 12 CYS HB2 H 1 2.957 0.003 . 2 . . . A 12 CYS HB2 . 17908 1 75 . 1 1 12 12 CYS HB3 H 1 3.017 0.001 . 2 . . . A 12 CYS HB3 . 17908 1 76 . 1 1 13 13 TYR H H 1 8.567 0.001 . 1 . . . A 13 TYR H . 17908 1 77 . 1 1 13 13 TYR HA H 1 4.368 0.001 . 1 . . . A 13 TYR HA . 17908 1 78 . 1 1 13 13 TYR HB2 H 1 2.609 0.000 . 2 . . . A 13 TYR HB2 . 17908 1 79 . 1 1 13 13 TYR HB3 H 1 2.559 0.002 . 2 . . . A 13 TYR HB3 . 17908 1 80 . 1 1 13 13 TYR HD1 H 1 7.058 0.002 . 3 . . . A 13 TYR HD1 . 17908 1 81 . 1 1 13 13 TYR HD2 H 1 7.058 0.002 . 3 . . . A 13 TYR HD2 . 17908 1 82 . 1 1 14 14 ASP H H 1 7.421 0.001 . 1 . . . A 14 ASP H . 17908 1 83 . 1 1 14 14 ASP HA H 1 4.824 0.007 . 1 . . . A 14 ASP HA . 17908 1 84 . 1 1 14 14 ASP HB2 H 1 2.406 0.001 . 2 . . . A 14 ASP HB2 . 17908 1 85 . 1 1 14 14 ASP HB3 H 1 3.142 0.003 . 2 . . . A 14 ASP HB3 . 17908 1 86 . 1 1 15 15 THR H H 1 8.561 0.002 . 1 . . . A 15 THR H . 17908 1 87 . 1 1 15 15 THR HA H 1 4.461 0.002 . 1 . . . A 15 THR HA . 17908 1 88 . 1 1 15 15 THR HB H 1 3.784 0.005 . 1 . . . A 15 THR HB . 17908 1 89 . 1 1 15 15 THR HG21 H 1 0.891 0.001 . 1 . . . A 15 THR HG21 . 17908 1 90 . 1 1 15 15 THR HG22 H 1 0.891 0.001 . 1 . . . A 15 THR HG22 . 17908 1 91 . 1 1 15 15 THR HG23 H 1 0.891 0.001 . 1 . . . A 15 THR HG23 . 17908 1 92 . 1 1 16 16 ILE H H 1 8.442 0.002 . 1 . . . A 16 ILE H . 17908 1 93 . 1 1 16 16 ILE HA H 1 4.175 0.000 . 1 . . . A 16 ILE HA . 17908 1 94 . 1 1 16 16 ILE HB H 1 1.724 0.001 . 1 . . . A 16 ILE HB . 17908 1 95 . 1 1 16 16 ILE HG12 H 1 1.053 0.000 . 2 . . . A 16 ILE HG12 . 17908 1 96 . 1 1 16 16 ILE HG13 H 1 1.389 0.000 . 2 . . . A 16 ILE HG13 . 17908 1 97 . 1 1 16 16 ILE HG21 H 1 0.733 0.003 . 1 . . . A 16 ILE HG21 . 17908 1 98 . 1 1 16 16 ILE HG22 H 1 0.733 0.003 . 1 . . . A 16 ILE HG22 . 17908 1 99 . 1 1 16 16 ILE HG23 H 1 0.733 0.003 . 1 . . . A 16 ILE HG23 . 17908 1 100 . 1 1 16 16 ILE HD11 H 1 0.731 0.003 . 1 . . . A 16 ILE HD11 . 17908 1 101 . 1 1 16 16 ILE HD12 H 1 0.731 0.003 . 1 . . . A 16 ILE HD12 . 17908 1 102 . 1 1 16 16 ILE HD13 H 1 0.731 0.003 . 1 . . . A 16 ILE HD13 . 17908 1 103 . 1 1 18 18 THR H H 1 7.432 0.001 . 1 . . . A 18 THR H . 17908 1 104 . 1 1 18 18 THR HA H 1 4.460 0.000 . 1 . . . A 18 THR HA . 17908 1 105 . 1 1 18 18 THR HB H 1 4.177 0.005 . 1 . . . A 18 THR HB . 17908 1 106 . 1 1 18 18 THR HG21 H 1 1.054 0.002 . 1 . . . A 18 THR HG21 . 17908 1 107 . 1 1 18 18 THR HG22 H 1 1.054 0.002 . 1 . . . A 18 THR HG22 . 17908 1 108 . 1 1 18 18 THR HG23 H 1 1.054 0.002 . 1 . . . A 18 THR HG23 . 17908 1 109 . 1 1 19 19 CYS H H 1 8.590 0.002 . 1 . . . A 19 CYS H . 17908 1 110 . 1 1 19 19 CYS HA H 1 4.837 0.001 . 1 . . . A 19 CYS HA . 17908 1 111 . 1 1 19 19 CYS HB2 H 1 3.239 0.000 . 2 . . . A 19 CYS HB2 . 17908 1 112 . 1 1 19 19 CYS HB3 H 1 3.239 0.000 . 2 . . . A 19 CYS HB3 . 17908 1 113 . 1 1 20 20 VAL H H 1 8.966 0.001 . 1 . . . A 20 VAL H . 17908 1 114 . 1 1 20 20 VAL HA H 1 4.155 0.000 . 1 . . . A 20 VAL HA . 17908 1 115 . 1 1 20 20 VAL HB H 1 1.880 0.004 . 1 . . . A 20 VAL HB . 17908 1 116 . 1 1 20 20 VAL HG11 H 1 0.810 0.003 . 1 . . . A 20 VAL HG11 . 17908 1 117 . 1 1 20 20 VAL HG12 H 1 0.810 0.003 . 1 . . . A 20 VAL HG12 . 17908 1 118 . 1 1 20 20 VAL HG13 H 1 0.810 0.003 . 1 . . . A 20 VAL HG13 . 17908 1 119 . 1 1 20 20 VAL HG21 H 1 0.810 0.003 . 1 . . . A 20 VAL HG21 . 17908 1 120 . 1 1 20 20 VAL HG22 H 1 0.810 0.003 . 1 . . . A 20 VAL HG22 . 17908 1 121 . 1 1 20 20 VAL HG23 H 1 0.810 0.003 . 1 . . . A 20 VAL HG23 . 17908 1 122 . 1 1 21 21 ASP H H 1 9.233 0.002 . 1 . . . A 21 ASP H . 17908 1 123 . 1 1 21 21 ASP HA H 1 4.197 0.002 . 1 . . . A 21 ASP HA . 17908 1 124 . 1 1 21 21 ASP HB2 H 1 2.558 0.000 . 2 . . . A 21 ASP HB2 . 17908 1 125 . 1 1 21 21 ASP HB3 H 1 2.896 0.002 . 2 . . . A 21 ASP HB3 . 17908 1 126 . 1 1 22 22 GLY H H 1 7.878 0.000 . 1 . . . A 22 GLY H . 17908 1 127 . 1 1 22 22 GLY HA2 H 1 3.921 0.000 . 2 . . . A 22 GLY HA2 . 17908 1 128 . 1 1 22 22 GLY HA3 H 1 4.039 0.006 . 2 . . . A 22 GLY HA3 . 17908 1 129 . 1 1 23 23 LYS H H 1 7.758 0.002 . 1 . . . A 23 LYS H . 17908 1 130 . 1 1 23 23 LYS HA H 1 4.836 0.000 . 1 . . . A 23 LYS HA . 17908 1 131 . 1 1 23 23 LYS HB2 H 1 1.666 0.003 . 2 . . . A 23 LYS HB2 . 17908 1 132 . 1 1 23 23 LYS HB3 H 1 1.666 0.003 . 2 . . . A 23 LYS HB3 . 17908 1 133 . 1 1 23 23 LYS HG2 H 1 1.344 0.000 . 2 . . . A 23 LYS HG2 . 17908 1 134 . 1 1 23 23 LYS HG3 H 1 1.344 0.000 . 2 . . . A 23 LYS HG3 . 17908 1 135 . 1 1 23 23 LYS HD2 H 1 1.572 0.000 . 2 . . . A 23 LYS HD2 . 17908 1 136 . 1 1 23 23 LYS HD3 H 1 1.572 0.000 . 2 . . . A 23 LYS HD3 . 17908 1 137 . 1 1 23 23 LYS HE2 H 1 2.955 0.000 . 2 . . . A 23 LYS HE2 . 17908 1 138 . 1 1 23 23 LYS HE3 H 1 2.955 0.000 . 2 . . . A 23 LYS HE3 . 17908 1 139 . 1 1 24 24 CYS H H 1 8.644 0.001 . 1 . . . A 24 CYS H . 17908 1 140 . 1 1 24 24 CYS HA H 1 5.040 0.000 . 1 . . . A 24 CYS HA . 17908 1 141 . 1 1 24 24 CYS HB2 H 1 2.651 0.001 . 2 . . . A 24 CYS HB2 . 17908 1 142 . 1 1 24 24 CYS HB3 H 1 2.569 0.001 . 2 . . . A 24 CYS HB3 . 17908 1 143 . 1 1 25 25 LYS H H 1 9.542 0.002 . 1 . . . A 25 LYS H . 17908 1 144 . 1 1 25 25 LYS HA H 1 4.511 0.000 . 1 . . . A 25 LYS HA . 17908 1 145 . 1 1 25 25 LYS HB2 H 1 1.605 0.003 . 2 . . . A 25 LYS HB2 . 17908 1 146 . 1 1 25 25 LYS HB3 H 1 1.774 0.000 . 2 . . . A 25 LYS HB3 . 17908 1 147 . 1 1 25 25 LYS HG2 H 1 1.241 0.005 . 2 . . . A 25 LYS HG2 . 17908 1 148 . 1 1 25 25 LYS HG3 H 1 1.241 0.005 . 2 . . . A 25 LYS HG3 . 17908 1 149 . 1 1 25 25 LYS HD2 H 1 1.338 0.000 . 2 . . . A 25 LYS HD2 . 17908 1 150 . 1 1 25 25 LYS HD3 H 1 1.338 0.000 . 2 . . . A 25 LYS HD3 . 17908 1 151 . 1 1 25 25 LYS HE2 H 1 2.885 0.001 . 2 . . . A 25 LYS HE2 . 17908 1 152 . 1 1 25 25 LYS HE3 H 1 2.885 0.001 . 2 . . . A 25 LYS HE3 . 17908 1 153 . 1 1 26 26 CYS H H 1 8.747 0.002 . 1 . . . A 26 CYS H . 17908 1 154 . 1 1 26 26 CYS HA H 1 5.162 0.000 . 1 . . . A 26 CYS HA . 17908 1 155 . 1 1 26 26 CYS HB2 H 1 2.562 0.003 . 2 . . . A 26 CYS HB2 . 17908 1 156 . 1 1 26 26 CYS HB3 H 1 3.335 0.004 . 2 . . . A 26 CYS HB3 . 17908 1 157 . 1 1 27 27 MET H H 1 8.572 0.001 . 1 . . . A 27 MET H . 17908 1 158 . 1 1 27 27 MET HA H 1 4.289 0.002 . 1 . . . A 27 MET HA . 17908 1 159 . 1 1 27 27 MET HB2 H 1 1.877 0.000 . 2 . . . A 27 MET HB2 . 17908 1 160 . 1 1 27 27 MET HB3 H 1 2.050 0.000 . 2 . . . A 27 MET HB3 . 17908 1 161 . 1 1 27 27 MET HG2 H 1 2.387 0.003 . 2 . . . A 27 MET HG2 . 17908 1 162 . 1 1 27 27 MET HG3 H 1 2.437 0.000 . 2 . . . A 27 MET HG3 . 17908 1 stop_ save_