################################### # 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 18938 _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' . . . 18938 1 3 '2D 1H-13C HSQC' . . . 18938 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 ARG HA H 1 4.135 0.01 . 1 . . . A 1 ARG HA . 18938 1 2 . 1 1 1 1 ARG HB2 H 1 1.965 0.01 . 1 . . . A 1 ARG HB2 . 18938 1 3 . 1 1 1 1 ARG HB3 H 1 1.851 0.01 . 1 . . . A 1 ARG HB3 . 18938 1 4 . 1 1 1 1 ARG HG2 H 1 1.646 0.01 . 1 . . . A 1 ARG HG2 . 18938 1 5 . 1 1 1 1 ARG HG3 H 1 1.646 0.01 . 1 . . . A 1 ARG HG3 . 18938 1 6 . 1 1 1 1 ARG HD2 H 1 3.229 0.01 . 1 . . . A 1 ARG HD2 . 18938 1 7 . 1 1 1 1 ARG HD3 H 1 3.229 0.01 . 1 . . . A 1 ARG HD3 . 18938 1 8 . 1 1 1 1 ARG HE H 1 7.250 0.01 . 1 . . . A 1 ARG HE . 18938 1 9 . 1 1 1 1 ARG CA C 13 55.407 0.01 . 1 . . . A 1 ARG CA . 18938 1 10 . 1 1 1 1 ARG CB C 13 31.000 0.01 . 1 . . . A 1 ARG CB . 18938 1 11 . 1 1 1 1 ARG CG C 13 26.349 0.01 . 1 . . . A 1 ARG CG . 18938 1 12 . 1 1 1 1 ARG CD C 13 43.248 0.01 . 1 . . . A 1 ARG CD . 18938 1 13 . 1 1 2 2 CYS H H 1 9.120 0.01 . 1 . . . A 2 CYS H . 18938 1 14 . 1 1 2 2 CYS HA H 1 5.160 0.01 . 1 . . . A 2 CYS HA . 18938 1 15 . 1 1 2 2 CYS HB2 H 1 3.139 0.01 . 1 . . . A 2 CYS HB2 . 18938 1 16 . 1 1 2 2 CYS HB3 H 1 2.782 0.01 . 1 . . . A 2 CYS HB3 . 18938 1 17 . 1 1 2 2 CYS CA C 13 56.212 0.01 . 1 . . . A 2 CYS CA . 18938 1 18 . 1 1 2 2 CYS CB C 13 44.855 0.01 . 1 . . . A 2 CYS CB . 18938 1 19 . 1 1 3 3 VAL H H 1 8.641 0.01 . 1 . . . A 3 VAL H . 18938 1 20 . 1 1 3 3 VAL HA H 1 4.270 0.01 . 1 . . . A 3 VAL HA . 18938 1 21 . 1 1 3 3 VAL HB H 1 2.037 0.01 . 1 . . . A 3 VAL HB . 18938 1 22 . 1 1 3 3 VAL HG11 H 1 0.935 0.01 . 1 . . . A 3 VAL HG11 . 18938 1 23 . 1 1 3 3 VAL HG12 H 1 0.935 0.01 . 1 . . . A 3 VAL HG12 . 18938 1 24 . 1 1 3 3 VAL HG13 H 1 0.935 0.01 . 1 . . . A 3 VAL HG13 . 18938 1 25 . 1 1 3 3 VAL HG21 H 1 0.935 0.01 . 1 . . . A 3 VAL HG21 . 18938 1 26 . 1 1 3 3 VAL HG22 H 1 0.935 0.01 . 1 . . . A 3 VAL HG22 . 18938 1 27 . 1 1 3 3 VAL HG23 H 1 0.935 0.01 . 1 . . . A 3 VAL HG23 . 18938 1 28 . 1 1 3 3 VAL CA C 13 61.928 0.01 . 1 . . . A 3 VAL CA . 18938 1 29 . 1 1 3 3 VAL CB C 13 33.852 0.01 . 1 . . . A 3 VAL CB . 18938 1 30 . 1 1 3 3 VAL CG1 C 13 20.619 0.01 . 1 . . . A 3 VAL CG1 . 18938 1 31 . 1 1 3 3 VAL CG2 C 13 20.619 0.01 . 1 . . . A 3 VAL CG2 . 18938 1 32 . 1 1 4 4 CYS H H 1 8.982 0.01 . 1 . . . A 4 CYS H . 18938 1 33 . 1 1 4 4 CYS HA H 1 5.380 0.01 . 1 . . . A 4 CYS HA . 18938 1 34 . 1 1 4 4 CYS HB2 H 1 2.759 0.01 . 1 . . . A 4 CYS HB2 . 18938 1 35 . 1 1 4 4 CYS HB3 H 1 3.094 0.01 . 1 . . . A 4 CYS HB3 . 18938 1 36 . 1 1 4 4 CYS CA C 13 55.303 0.01 . 1 . . . A 4 CYS CA . 18938 1 37 . 1 1 4 4 CYS CB C 13 46.302 0.01 . 1 . . . A 4 CYS CB . 18938 1 38 . 1 1 5 5 ARG H H 1 8.689 0.01 . 1 . . . A 5 ARG H . 18938 1 39 . 1 1 5 5 ARG HA H 1 4.483 0.01 . 1 . . . A 5 ARG HA . 18938 1 40 . 1 1 5 5 ARG HB2 H 1 1.785 0.01 . 1 . . . A 5 ARG HB2 . 18938 1 41 . 1 1 5 5 ARG HB3 H 1 1.785 0.01 . 1 . . . A 5 ARG HB3 . 18938 1 42 . 1 1 5 5 ARG HG2 H 1 1.651 0.01 . 1 . . . A 5 ARG HG2 . 18938 1 43 . 1 1 5 5 ARG HG3 H 1 1.562 0.01 . 1 . . . A 5 ARG HG3 . 18938 1 44 . 1 1 5 5 ARG HD2 H 1 3.214 0.01 . 1 . . . A 5 ARG HD2 . 18938 1 45 . 1 1 5 5 ARG HD3 H 1 3.214 0.01 . 1 . . . A 5 ARG HD3 . 18938 1 46 . 1 1 5 5 ARG HE H 1 7.232 0.01 . 1 . . . A 5 ARG HE . 18938 1 47 . 1 1 5 5 ARG CA C 13 55.816 0.01 . 1 . . . A 5 ARG CA . 18938 1 48 . 1 1 5 5 ARG CB C 13 32.319 0.01 . 1 . . . A 5 ARG CB . 18938 1 49 . 1 1 5 5 ARG CG C 13 27.301 0.01 . 1 . . . A 5 ARG CG . 18938 1 50 . 1 1 5 5 ARG CD C 13 43.152 0.01 . 1 . . . A 5 ARG CD . 18938 1 51 . 1 1 6 6 ARG H H 1 9.216 0.01 . 1 . . . A 6 ARG H . 18938 1 52 . 1 1 6 6 ARG HA H 1 4.021 0.01 . 1 . . . A 6 ARG HA . 18938 1 53 . 1 1 6 6 ARG HB2 H 1 1.824 0.01 . 1 . . . A 6 ARG HB2 . 18938 1 54 . 1 1 6 6 ARG HB3 H 1 2.036 0.01 . 1 . . . A 6 ARG HB3 . 18938 1 55 . 1 1 6 6 ARG HG2 H 1 1.620 0.01 . 1 . . . A 6 ARG HG2 . 18938 1 56 . 1 1 6 6 ARG HG3 H 1 1.620 0.01 . 1 . . . A 6 ARG HG3 . 18938 1 57 . 1 1 6 6 ARG HD2 H 1 3.227 0.01 . 1 . . . A 6 ARG HD2 . 18938 1 58 . 1 1 6 6 ARG HD3 H 1 3.227 0.01 . 1 . . . A 6 ARG HD3 . 18938 1 59 . 1 1 6 6 ARG HE H 1 7.225 0.01 . 1 . . . A 6 ARG HE . 18938 1 60 . 1 1 6 6 ARG CA C 13 56.806 0.01 . 1 . . . A 6 ARG CA . 18938 1 61 . 1 1 6 6 ARG CB C 13 28.812 0.01 . 1 . . . A 6 ARG CB . 18938 1 62 . 1 1 6 6 ARG CG C 13 27.624 0.01 . 1 . . . A 6 ARG CG . 18938 1 63 . 1 1 6 6 ARG CD C 13 43.358 0.01 . 1 . . . A 6 ARG CD . 18938 1 64 . 1 1 7 7 GLY H H 1 8.645 0.01 . 1 . . . A 7 GLY H . 18938 1 65 . 1 1 7 7 GLY HA2 H 1 3.639 0.01 . 1 . . . A 7 GLY HA2 . 18938 1 66 . 1 1 7 7 GLY HA3 H 1 4.165 0.01 . 1 . . . A 7 GLY HA3 . 18938 1 67 . 1 1 7 7 GLY CA C 13 45.197 0.01 . 1 . . . A 7 GLY CA . 18938 1 68 . 1 1 8 8 VAL H H 1 7.899 0.01 . 1 . . . A 8 VAL H . 18938 1 69 . 1 1 8 8 VAL HA H 1 4.215 0.01 . 1 . . . A 8 VAL HA . 18938 1 70 . 1 1 8 8 VAL HB H 1 2.116 0.01 . 1 . . . A 8 VAL HB . 18938 1 71 . 1 1 8 8 VAL HG11 H 1 0.935 0.01 . 1 . . . A 8 VAL HG11 . 18938 1 72 . 1 1 8 8 VAL HG12 H 1 0.935 0.01 . 1 . . . A 8 VAL HG12 . 18938 1 73 . 1 1 8 8 VAL HG13 H 1 0.935 0.01 . 1 . . . A 8 VAL HG13 . 18938 1 74 . 1 1 8 8 VAL HG21 H 1 0.935 0.01 . 1 . . . A 8 VAL HG21 . 18938 1 75 . 1 1 8 8 VAL HG22 H 1 0.935 0.01 . 1 . . . A 8 VAL HG22 . 18938 1 76 . 1 1 8 8 VAL HG23 H 1 0.935 0.01 . 1 . . . A 8 VAL HG23 . 18938 1 77 . 1 1 8 8 VAL CA C 13 62.144 0.01 . 1 . . . A 8 VAL CA . 18938 1 78 . 1 1 8 8 VAL CB C 13 33.034 0.01 . 1 . . . A 8 VAL CB . 18938 1 79 . 1 1 8 8 VAL CG1 C 13 20.986 0.01 . 1 . . . A 8 VAL CG1 . 18938 1 80 . 1 1 8 8 VAL CG2 C 13 20.986 0.01 . 1 . . . A 8 VAL CG2 . 18938 1 81 . 1 1 9 9 CYS H H 1 8.983 0.01 . 1 . . . A 9 CYS H . 18938 1 82 . 1 1 9 9 CYS HA H 1 5.254 0.01 . 1 . . . A 9 CYS HA . 18938 1 83 . 1 1 9 9 CYS HB2 H 1 2.815 0.01 . 1 . . . A 9 CYS HB2 . 18938 1 84 . 1 1 9 9 CYS HB3 H 1 3.044 0.01 . 1 . . . A 9 CYS HB3 . 18938 1 85 . 1 1 9 9 CYS CA C 13 55.055 0.01 . 1 . . . A 9 CYS CA . 18938 1 86 . 1 1 9 9 CYS CB C 13 44.978 0.01 . 1 . . . A 9 CYS CB . 18938 1 87 . 1 1 10 10 ARG H H 1 8.755 0.01 . 1 . . . A 10 ARG H . 18938 1 88 . 1 1 10 10 ARG HA H 1 4.635 0.01 . 1 . . . A 10 ARG HA . 18938 1 89 . 1 1 10 10 ARG HB2 H 1 1.783 0.01 . 1 . . . A 10 ARG HB2 . 18938 1 90 . 1 1 10 10 ARG HB3 H 1 1.872 0.01 . 1 . . . A 10 ARG HB3 . 18938 1 91 . 1 1 10 10 ARG HG2 H 1 1.629 0.01 . 1 . . . A 10 ARG HG2 . 18938 1 92 . 1 1 10 10 ARG HG3 H 1 1.629 0.01 . 1 . . . A 10 ARG HG3 . 18938 1 93 . 1 1 10 10 ARG HD2 H 1 3.217 0.01 . 1 . . . A 10 ARG HD2 . 18938 1 94 . 1 1 10 10 ARG HD3 H 1 3.217 0.01 . 1 . . . A 10 ARG HD3 . 18938 1 95 . 1 1 10 10 ARG HE H 1 7.209 0.01 . 1 . . . A 10 ARG HE . 18938 1 96 . 1 1 10 10 ARG CA C 13 56.114 0.01 . 1 . . . A 10 ARG CA . 18938 1 97 . 1 1 10 10 ARG CB C 13 31.660 0.01 . 1 . . . A 10 ARG CB . 18938 1 98 . 1 1 10 10 ARG CD C 13 43.179 0.01 . 1 . . . A 10 ARG CD . 18938 1 99 . 1 1 11 11 CYS H H 1 8.882 0.01 . 1 . . . A 11 CYS H . 18938 1 100 . 1 1 11 11 CYS HA H 1 5.157 0.01 . 1 . . . A 11 CYS HA . 18938 1 101 . 1 1 11 11 CYS HB2 H 1 3.091 0.01 . 1 . . . A 11 CYS HB2 . 18938 1 102 . 1 1 11 11 CYS HB3 H 1 3.029 0.01 . 1 . . . A 11 CYS HB3 . 18938 1 103 . 1 1 11 11 CYS CA C 13 55.303 0.01 . 1 . . . A 11 CYS CA . 18938 1 104 . 1 1 11 11 CYS CB C 13 44.671 0.01 . 1 . . . A 11 CYS CB . 18938 1 105 . 1 1 12 12 VAL H H 1 8.356 0.01 . 1 . . . A 12 VAL H . 18938 1 106 . 1 1 12 12 VAL HA H 1 4.206 0.01 . 1 . . . A 12 VAL HA . 18938 1 107 . 1 1 12 12 VAL HB H 1 2.042 0.01 . 1 . . . A 12 VAL HB . 18938 1 108 . 1 1 12 12 VAL HG11 H 1 0.933 0.01 . 1 . . . A 12 VAL HG11 . 18938 1 109 . 1 1 12 12 VAL HG12 H 1 0.933 0.01 . 1 . . . A 12 VAL HG12 . 18938 1 110 . 1 1 12 12 VAL HG13 H 1 0.933 0.01 . 1 . . . A 12 VAL HG13 . 18938 1 111 . 1 1 12 12 VAL HG21 H 1 0.933 0.01 . 1 . . . A 12 VAL HG21 . 18938 1 112 . 1 1 12 12 VAL HG22 H 1 0.933 0.01 . 1 . . . A 12 VAL HG22 . 18938 1 113 . 1 1 12 12 VAL HG23 H 1 0.933 0.01 . 1 . . . A 12 VAL HG23 . 18938 1 114 . 1 1 12 12 VAL CA C 13 62.144 0.01 . 1 . . . A 12 VAL CA . 18938 1 115 . 1 1 12 12 VAL CB C 13 33.336 0.01 . 1 . . . A 12 VAL CB . 18938 1 116 . 1 1 12 12 VAL CG1 C 13 20.652 0.01 . 1 . . . A 12 VAL CG1 . 18938 1 117 . 1 1 12 12 VAL CG2 C 13 20.652 0.01 . 1 . . . A 12 VAL CG2 . 18938 1 118 . 1 1 13 13 CYS H H 1 8.747 0.01 . 1 . . . A 13 CYS H . 18938 1 119 . 1 1 13 13 CYS HA H 1 4.934 0.01 . 1 . . . A 13 CYS HA . 18938 1 120 . 1 1 13 13 CYS HB2 H 1 3.047 0.01 . 1 . . . A 13 CYS HB2 . 18938 1 121 . 1 1 13 13 CYS HB3 H 1 2.944 0.01 . 1 . . . A 13 CYS HB3 . 18938 1 122 . 1 1 13 13 CYS CA C 13 55.510 0.01 . 1 . . . A 13 CYS CA . 18938 1 123 . 1 1 13 13 CYS CB C 13 44.711 0.01 . 1 . . . A 13 CYS CB . 18938 1 124 . 1 1 14 14 ARG H H 1 8.681 0.01 . 1 . . . A 14 ARG H . 18938 1 125 . 1 1 14 14 ARG HA H 1 4.335 0.01 . 1 . . . A 14 ARG HA . 18938 1 126 . 1 1 14 14 ARG HB2 H 1 1.801 0.01 . 1 . . . A 14 ARG HB2 . 18938 1 127 . 1 1 14 14 ARG HB3 H 1 1.801 0.01 . 1 . . . A 14 ARG HB3 . 18938 1 128 . 1 1 14 14 ARG HG2 H 1 1.653 0.01 . 1 . . . A 14 ARG HG2 . 18938 1 129 . 1 1 14 14 ARG HG3 H 1 1.653 0.01 . 1 . . . A 14 ARG HG3 . 18938 1 130 . 1 1 14 14 ARG HD2 H 1 3.216 0.01 . 1 . . . A 14 ARG HD2 . 18938 1 131 . 1 1 14 14 ARG HD3 H 1 3.216 0.01 . 1 . . . A 14 ARG HD3 . 18938 1 132 . 1 1 14 14 ARG HE H 1 7.229 0.01 . 1 . . . A 14 ARG HE . 18938 1 133 . 1 1 14 14 ARG CA C 13 56.741 0.01 . 1 . . . A 14 ARG CA . 18938 1 134 . 1 1 14 14 ARG CB C 13 30.988 0.01 . 1 . . . A 14 ARG CB . 18938 1 135 . 1 1 14 14 ARG CG C 13 26.380 0.01 . 1 . . . A 14 ARG CG . 18938 1 136 . 1 1 14 14 ARG CD C 13 43.248 0.01 . 1 . . . A 14 ARG CD . 18938 1 137 . 1 1 15 15 ARG H H 1 8.754 0.01 . 1 . . . A 15 ARG H . 18938 1 138 . 1 1 15 15 ARG HA H 1 4.133 0.01 . 1 . . . A 15 ARG HA . 18938 1 139 . 1 1 15 15 ARG HB2 H 1 1.858 0.01 . 1 . . . A 15 ARG HB2 . 18938 1 140 . 1 1 15 15 ARG HB3 H 1 1.976 0.01 . 1 . . . A 15 ARG HB3 . 18938 1 141 . 1 1 15 15 ARG HG2 H 1 1.607 0.01 . 1 . . . A 15 ARG HG2 . 18938 1 142 . 1 1 15 15 ARG HG3 H 1 1.607 0.01 . 1 . . . A 15 ARG HG3 . 18938 1 143 . 1 1 15 15 ARG HD2 H 1 3.220 0.01 . 1 . . . A 15 ARG HD2 . 18938 1 144 . 1 1 15 15 ARG HD3 H 1 3.220 0.01 . 1 . . . A 15 ARG HD3 . 18938 1 145 . 1 1 15 15 ARG HE H 1 7.208 0.01 . 1 . . . A 15 ARG HE . 18938 1 146 . 1 1 15 15 ARG CA C 13 56.698 0.01 . 1 . . . A 15 ARG CA . 18938 1 147 . 1 1 15 15 ARG CB C 13 29.558 0.01 . 1 . . . A 15 ARG CB . 18938 1 148 . 1 1 15 15 ARG CG C 13 27.317 0.01 . 1 . . . A 15 ARG CG . 18938 1 149 . 1 1 15 15 ARG CD C 13 43.275 0.01 . 1 . . . A 15 ARG CD . 18938 1 150 . 1 1 16 16 GLY H H 1 8.435 0.01 . 1 . . . A 16 GLY H . 18938 1 151 . 1 1 16 16 GLY HA2 H 1 4.190 0.01 . 1 . . . A 16 GLY HA2 . 18938 1 152 . 1 1 16 16 GLY HA3 H 1 3.684 0.01 . 1 . . . A 16 GLY HA3 . 18938 1 153 . 1 1 16 16 GLY CA C 13 45.326 0.01 . 1 . . . A 16 GLY CA . 18938 1 154 . 1 1 17 17 VAL H H 1 7.879 0.01 . 1 . . . A 17 VAL H . 18938 1 155 . 1 1 17 17 VAL HA H 1 4.186 0.01 . 1 . . . A 17 VAL HA . 18938 1 156 . 1 1 17 17 VAL HB H 1 2.129 0.01 . 1 . . . A 17 VAL HB . 18938 1 157 . 1 1 17 17 VAL HG11 H 1 0.965 0.01 . 1 . . . A 17 VAL HG11 . 18938 1 158 . 1 1 17 17 VAL HG12 H 1 0.965 0.01 . 1 . . . A 17 VAL HG12 . 18938 1 159 . 1 1 17 17 VAL HG13 H 1 0.965 0.01 . 1 . . . A 17 VAL HG13 . 18938 1 160 . 1 1 17 17 VAL HG21 H 1 0.965 0.01 . 1 . . . A 17 VAL HG21 . 18938 1 161 . 1 1 17 17 VAL HG22 H 1 0.965 0.01 . 1 . . . A 17 VAL HG22 . 18938 1 162 . 1 1 17 17 VAL HG23 H 1 0.965 0.01 . 1 . . . A 17 VAL HG23 . 18938 1 163 . 1 1 17 17 VAL CA C 13 62.445 0.01 . 1 . . . A 17 VAL CA . 18938 1 164 . 1 1 17 17 VAL CB C 13 32.874 0.01 . 1 . . . A 17 VAL CB . 18938 1 165 . 1 1 17 17 VAL CG1 C 13 21.162 0.01 . 1 . . . A 17 VAL CG1 . 18938 1 166 . 1 1 17 17 VAL CG2 C 13 21.162 0.01 . 1 . . . A 17 VAL CG2 . 18938 1 167 . 1 1 18 18 CYS H H 1 8.401 0.01 . 1 . . . A 18 CYS H . 18938 1 168 . 1 1 18 18 CYS HA H 1 4.600 0.01 . 1 . . . A 18 CYS HA . 18938 1 169 . 1 1 18 18 CYS HB2 H 1 3.231 0.01 . 1 . . . A 18 CYS HB2 . 18938 1 170 . 1 1 18 18 CYS HB3 H 1 2.996 0.01 . 1 . . . A 18 CYS HB3 . 18938 1 171 . 1 1 18 18 CYS CA C 13 55.215 0.01 . 1 . . . A 18 CYS CA . 18938 1 172 . 1 1 18 18 CYS CB C 13 42.994 0.01 . 1 . . . A 18 CYS CB . 18938 1 stop_ save_