################################### # 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 18405 _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 2 '2D 1H-1H TOCSY' . . . 18405 1 3 '2D 1H-13C HSQC' . . . 18405 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 CYS HA H 1 4.862 0.0025 . 1 . . . . 1 CYS HA . 18405 1 2 . 1 1 1 1 CYS HB2 H 1 2.498 0.0025 . 2 . . . . 1 CYS HB2 . 18405 1 3 . 1 1 1 1 CYS HB3 H 1 3.669 0.0025 . 2 . . . . 1 CYS HB3 . 18405 1 4 . 1 1 1 1 CYS H H 1 8.688 0.0025 . 1 . . . . 1 CYS H . 18405 1 5 . 1 1 1 1 CYS CB C 13 44.52 0.025 . 1 . . . . 1 CYS CB . 18405 1 6 . 1 1 2 2 VAL H H 1 9.194 0.0025 . 1 . . . . 2 VAL H . 18405 1 7 . 1 1 2 2 VAL HA H 1 4.859 0.0025 . 1 . . . . 2 VAL HA . 18405 1 8 . 1 1 2 2 VAL HB H 1 2.29 0.0025 . 1 . . . . 2 VAL HB . 18405 1 9 . 1 1 2 2 VAL HG11 H 1 0.723 0.0025 . 2 . . . . 2 VAL HG11 . 18405 1 10 . 1 1 2 2 VAL HG12 H 1 0.723 0.0025 . 2 . . . . 2 VAL HG12 . 18405 1 11 . 1 1 2 2 VAL HG13 H 1 0.723 0.0025 . 2 . . . . 2 VAL HG13 . 18405 1 12 . 1 1 2 2 VAL HG21 H 1 0.318 0.0025 . 2 . . . . 2 VAL HG21 . 18405 1 13 . 1 1 2 2 VAL HG22 H 1 0.318 0.0025 . 2 . . . . 2 VAL HG22 . 18405 1 14 . 1 1 2 2 VAL HG23 H 1 0.318 0.0025 . 2 . . . . 2 VAL HG23 . 18405 1 15 . 1 1 2 2 VAL CA C 13 58.427 0.025 . 1 . . . . 2 VAL CA . 18405 1 16 . 1 1 2 2 VAL CB C 13 32.195 0.025 . 1 . . . . 2 VAL CB . 18405 1 17 . 1 1 2 2 VAL CG1 C 13 19.558 0.025 . 2 . . . . 2 VAL CG1 . 18405 1 18 . 1 1 2 2 VAL CG2 C 13 16.66 0.025 . 2 . . . . 2 VAL CG2 . 18405 1 19 . 1 1 3 3 TRP H H 1 8.721 0.0025 . 1 . . . . 3 TRP H . 18405 1 20 . 1 1 3 3 TRP HA H 1 4.87 0.0025 . 1 . . . . 3 TRP HA . 18405 1 21 . 1 1 3 3 TRP HB2 H 1 3.262 0.0025 . 2 . . . . 3 TRP HB2 . 18405 1 22 . 1 1 3 3 TRP HB3 H 1 3.328 0.0025 . 2 . . . . 3 TRP HB3 . 18405 1 23 . 1 1 3 3 TRP HD1 H 1 7.197 0.0025 . 1 . . . . 3 TRP HD1 . 18405 1 24 . 1 1 3 3 TRP HE1 H 1 10.464 0.0025 . 1 . . . . 3 TRP HE1 . 18405 1 25 . 1 1 3 3 TRP HE3 H 1 7.625 0.0025 . 1 . . . . 3 TRP HE3 . 18405 1 26 . 1 1 3 3 TRP HZ2 H 1 7.384 0.0025 . 1 . . . . 3 TRP HZ2 . 18405 1 27 . 1 1 3 3 TRP HZ3 H 1 7.078 0.0025 . 1 . . . . 3 TRP HZ3 . 18405 1 28 . 1 1 3 3 TRP HH2 H 1 7.131 0.0025 . 1 . . . . 3 TRP HH2 . 18405 1 29 . 1 1 3 3 TRP CA C 13 55.776 0.025 . 1 . . . . 3 TRP CA . 18405 1 30 . 1 1 3 3 TRP CB C 13 29.573 0.025 . 1 . . . . 3 TRP CB . 18405 1 31 . 1 1 3 3 TRP CD1 C 13 124.37 0.025 . 1 . . . . 3 TRP CD1 . 18405 1 32 . 1 1 3 3 TRP CE3 C 13 118.825 0.025 . 1 . . . . 3 TRP CE3 . 18405 1 33 . 1 1 3 3 TRP CZ2 C 13 112.162 0.025 . 1 . . . . 3 TRP CZ2 . 18405 1 34 . 1 1 3 3 TRP CZ3 C 13 119.584 0.025 . 1 . . . . 3 TRP CZ3 . 18405 1 35 . 1 1 3 3 TRP CH2 C 13 122.267 0.025 . 1 . . . . 3 TRP CH2 . 18405 1 36 . 1 1 4 4 GLY H H 1 8.193 0.0025 . 1 . . . . 4 GLY H . 18405 1 37 . 1 1 4 4 GLY HA2 H 1 3.127 0.0025 . 2 . . . . 4 GLY HA2 . 18405 1 38 . 1 1 4 4 GLY HA3 H 1 4.018 0.0025 . 2 . . . . 4 GLY HA3 . 18405 1 39 . 1 1 4 4 GLY CA C 13 44.651 0.025 . 1 . . . . 4 GLY CA . 18405 1 40 . 1 1 5 5 GLY H H 1 8.646 0.0025 . 1 . . . . 5 GLY H . 18405 1 41 . 1 1 5 5 GLY HA2 H 1 3.784 0.0025 . 2 . . . . 5 GLY HA2 . 18405 1 42 . 1 1 5 5 GLY HA3 H 1 4.158 0.0025 . 2 . . . . 5 GLY HA3 . 18405 1 43 . 1 1 5 5 GLY CA C 13 42.116 0.025 . 1 . . . . 5 GLY CA . 18405 1 44 . 1 1 6 6 ASP H H 1 8.237 0.0025 . 1 . . . . 6 ASP H . 18405 1 45 . 1 1 6 6 ASP HA H 1 4.908 0.0025 . 1 . . . . 6 ASP HA . 18405 1 46 . 1 1 6 6 ASP HB2 H 1 2.685 0.0025 . 2 . . . . 6 ASP HB2 . 18405 1 47 . 1 1 6 6 ASP HB3 H 1 2.879 0.0025 . 2 . . . . 6 ASP HB3 . 18405 1 48 . 1 1 6 6 ASP CA C 13 51.55 0.025 . 1 . . . . 6 ASP CA . 18405 1 49 . 1 1 6 6 ASP CB C 13 37.574 0.025 . 1 . . . . 6 ASP CB . 18405 1 50 . 1 1 7 7 CYS H H 1 7.835 0.0025 . 1 . . . . 7 CYS H . 18405 1 51 . 1 1 7 7 CYS HA H 1 4.901 0.0025 . 1 . . . . 7 CYS HA . 18405 1 52 . 1 1 7 7 CYS HB2 H 1 3.317 0.0025 . 2 . . . . 7 CYS HB2 . 18405 1 53 . 1 1 7 7 CYS HB3 H 1 3.373 0.0025 . 2 . . . . 7 CYS HB3 . 18405 1 54 . 1 1 7 7 CYS CA C 13 53.21 0.025 . 1 . . . . 7 CYS CA . 18405 1 55 . 1 1 7 7 CYS CB C 13 43.9 0.025 . 1 . . . . 7 CYS CB . 18405 1 56 . 1 1 8 8 THR H H 1 8.501 0.0025 . 1 . . . . 8 THR H . 18405 1 57 . 1 1 8 8 THR HA H 1 4.629 0.0025 . 1 . . . . 8 THR HA . 18405 1 58 . 1 1 8 8 THR HB H 1 3.864 0.0025 . 1 . . . . 8 THR HB . 18405 1 59 . 1 1 8 8 THR HG21 H 1 1.19 0.0025 . 1 . . . . 8 THR HG21 . 18405 1 60 . 1 1 8 8 THR HG22 H 1 1.19 0.0025 . 1 . . . . 8 THR HG22 . 18405 1 61 . 1 1 8 8 THR HG23 H 1 1.19 0.0025 . 1 . . . . 8 THR HG23 . 18405 1 62 . 1 1 8 8 THR CA C 13 61.705 0.0025 . 1 . . . . 8 THR CA . 18405 1 63 . 1 1 8 8 THR CB C 13 68.438 0.0025 . 1 . . . . 8 THR CB . 18405 1 64 . 1 1 8 8 THR CG2 C 13 20.24 0.0025 . 1 . . . . 8 THR CG2 . 18405 1 65 . 1 1 9 9 ASP H H 1 7.887 0.0025 . 1 . . . . 9 ASP H . 18405 1 66 . 1 1 9 9 ASP HA H 1 4.612 0.0025 . 1 . . . . 9 ASP HA . 18405 1 67 . 1 1 9 9 ASP HB2 H 1 2.832 0.0025 . 2 . . . . 9 ASP HB2 . 18405 1 68 . 1 1 9 9 ASP HB3 H 1 2.889 0.0025 . 2 . . . . 9 ASP HB3 . 18405 1 69 . 1 1 9 9 ASP CA C 13 52.97 0.025 . 1 . . . . 9 ASP CA . 18405 1 70 . 1 1 9 9 ASP CB C 13 35.754 0.025 . 1 . . . . 9 ASP CB . 18405 1 71 . 1 1 10 10 PHE H H 1 8.541 0.0025 . 1 . . . . 10 PHE H . 18405 1 72 . 1 1 10 10 PHE HA H 1 4.409 0.0025 . 1 . . . . 10 PHE HA . 18405 1 73 . 1 1 10 10 PHE HB2 H 1 2.815 0.0025 . 2 . . . . 10 PHE HB2 . 18405 1 74 . 1 1 10 10 PHE HB3 H 1 2.914 0.0025 . 2 . . . . 10 PHE HB3 . 18405 1 75 . 1 1 10 10 PHE HD2 H 1 7.268 0.0025 . 3 . . . . 10 PHE HD2 . 18405 1 76 . 1 1 10 10 PHE HE2 H 1 7.23 0.0025 . 3 . . . . 10 PHE HE2 . 18405 1 77 . 1 1 10 10 PHE HZ H 1 7.18 0.0025 . 1 . . . . 10 PHE HZ . 18405 1 78 . 1 1 10 10 PHE CA C 13 55.779 0.025 . 1 . . . . 10 PHE CA . 18405 1 79 . 1 1 10 10 PHE CB C 13 40.198 0.025 . 1 . . . . 10 PHE CB . 18405 1 80 . 1 1 10 10 PHE CD2 C 13 130.473 0.025 . 3 . . . . 10 PHE CD2 . 18405 1 81 . 1 1 10 10 PHE CE2 C 13 128.928 0.025 . 3 . . . . 10 PHE CE2 . 18405 1 82 . 1 1 10 10 PHE CZ C 13 127.436 0.025 . 1 . . . . 10 PHE CZ . 18405 1 83 . 1 1 11 11 LEU H H 1 8.53 0.0025 . 1 . . . . 11 LEU H . 18405 1 84 . 1 1 11 11 LEU HA H 1 3.964 0.0025 . 1 . . . . 11 LEU HA . 18405 1 85 . 1 1 11 11 LEU HB2 H 1 1.547 0.0025 . 2 . . . . 11 LEU HB2 . 18405 1 86 . 1 1 11 11 LEU HB3 H 1 1.547 0.0025 . 2 . . . . 11 LEU HB3 . 18405 1 87 . 1 1 11 11 LEU HG H 1 1.576 0.0025 . 1 . . . . 11 LEU HG . 18405 1 88 . 1 1 11 11 LEU HD11 H 1 0.962 0.0025 . 2 . . . . 11 LEU HD11 . 18405 1 89 . 1 1 11 11 LEU HD12 H 1 0.962 0.0025 . 2 . . . . 11 LEU HD12 . 18405 1 90 . 1 1 11 11 LEU HD13 H 1 0.962 0.0025 . 2 . . . . 11 LEU HD13 . 18405 1 91 . 1 1 11 11 LEU HD21 H 1 0.916 0.0025 . 2 . . . . 11 LEU HD21 . 18405 1 92 . 1 1 11 11 LEU HD22 H 1 0.916 0.0025 . 2 . . . . 11 LEU HD22 . 18405 1 93 . 1 1 11 11 LEU HD23 H 1 0.916 0.0025 . 2 . . . . 11 LEU HD23 . 18405 1 94 . 1 1 11 11 LEU CA C 13 55.49 0.025 . 1 . . . . 11 LEU CA . 18405 1 95 . 1 1 11 11 LEU CB C 13 40.425 0.025 . 1 . . . . 11 LEU CB . 18405 1 96 . 1 1 11 11 LEU CG C 13 25.309 0.025 . 1 . . . . 11 LEU CG . 18405 1 97 . 1 1 11 11 LEU CD1 C 13 22.42 0.025 . 2 . . . . 11 LEU CD1 . 18405 1 98 . 1 1 11 11 LEU CD2 C 13 22.51 0.025 . 2 . . . . 11 LEU CD2 . 18405 1 99 . 1 1 12 12 GLY H H 1 9.002 0.0025 . 1 . . . . 12 GLY H . 18405 1 100 . 1 1 12 12 GLY HA2 H 1 3.598 0.0025 . 2 . . . . 12 GLY HA2 . 18405 1 101 . 1 1 12 12 GLY HA3 H 1 4.181 0.0025 . 2 . . . . 12 GLY HA3 . 18405 1 102 . 1 1 12 12 GLY CA C 13 43.744 0.025 . 1 . . . . 12 GLY CA . 18405 1 103 . 1 1 13 13 CYS H H 1 8.628 0.0025 . 1 . . . . 13 CYS H . 18405 1 104 . 1 1 13 13 CYS HA H 1 4.597 0.0025 . 1 . . . . 13 CYS HA . 18405 1 105 . 1 1 13 13 CYS HB2 H 1 3.175 0.0025 . 2 . . . . 13 CYS HB2 . 18405 1 106 . 1 1 13 13 CYS HB3 H 1 3.587 0.0025 . 2 . . . . 13 CYS HB3 . 18405 1 107 . 1 1 14 14 GLY H H 1 7.619 0.0025 . 1 . . . . 14 GLY H . 18405 1 108 . 1 1 14 14 GLY HA3 H 1 3.972 0.0025 . 2 . . . . 14 GLY HA3 . 18405 1 109 . 1 1 14 14 GLY CA C 13 44.874 0.025 . 1 . . . . 14 GLY CA . 18405 1 110 . 1 1 15 15 THR H H 1 9.207 0.0025 . 1 . . . . 15 THR H . 18405 1 111 . 1 1 15 15 THR HA H 1 5.549 0.0025 . 1 . . . . 15 THR HA . 18405 1 112 . 1 1 15 15 THR HB H 1 4.197 0.0025 . 1 . . . . 15 THR HB . 18405 1 113 . 1 1 15 15 THR HG21 H 1 1.051 0.0025 . 1 . . . . 15 THR HG21 . 18405 1 114 . 1 1 15 15 THR HG22 H 1 1.051 0.0025 . 1 . . . . 15 THR HG22 . 18405 1 115 . 1 1 15 15 THR HG23 H 1 1.051 0.0025 . 1 . . . . 15 THR HG23 . 18405 1 116 . 1 1 15 15 THR CA C 13 58.66 0.025 . 1 . . . . 15 THR CA . 18405 1 117 . 1 1 15 15 THR CB C 13 71.883 0.025 . 1 . . . . 15 THR CB . 18405 1 118 . 1 1 15 15 THR CG2 C 13 19.84 0.025 . 1 . . . . 15 THR CG2 . 18405 1 119 . 1 1 16 16 ALA H H 1 8.234 0.0025 . 1 . . . . 16 ALA H . 18405 1 120 . 1 1 16 16 ALA HA H 1 4.533 0.0025 . 1 . . . . 16 ALA HA . 18405 1 121 . 1 1 16 16 ALA HB1 H 1 1.333 0.0025 . 1 . . . . 16 ALA HB1 . 18405 1 122 . 1 1 16 16 ALA HB2 H 1 1.333 0.0025 . 1 . . . . 16 ALA HB2 . 18405 1 123 . 1 1 16 16 ALA HB3 H 1 1.333 0.0025 . 1 . . . . 16 ALA HB3 . 18405 1 124 . 1 1 16 16 ALA CA C 13 48.5 0.025 . 1 . . . . 16 ALA CA . 18405 1 125 . 1 1 16 16 ALA CB C 13 20.986 0.025 . 1 . . . . 16 ALA CB . 18405 1 126 . 1 1 17 17 TRP H H 1 8.374 0.0025 . 1 . . . . 17 TRP H . 18405 1 127 . 1 1 17 17 TRP HA H 1 4.890 0.0025 . 1 . . . . 17 TRP HA . 18405 1 128 . 1 1 17 17 TRP HB2 H 1 3.034 0.0025 . 2 . . . . 17 TRP HB2 . 18405 1 129 . 1 1 17 17 TRP HB3 H 1 3.373 0.0025 . 2 . . . . 17 TRP HB3 . 18405 1 130 . 1 1 17 17 TRP HD1 H 1 6.626 0.0025 . 1 . . . . 17 TRP HD1 . 18405 1 131 . 1 1 17 17 TRP HE1 H 1 10.238 0.0025 . 1 . . . . 17 TRP HE1 . 18405 1 132 . 1 1 17 17 TRP HE3 H 1 7.501 0.0025 . 1 . . . . 17 TRP HE3 . 18405 1 133 . 1 1 17 17 TRP HZ2 H 1 7.413 0.0025 . 1 . . . . 17 TRP HZ2 . 18405 1 134 . 1 1 17 17 TRP HZ3 H 1 7.016 0.0025 . 1 . . . . 17 TRP HZ3 . 18405 1 135 . 1 1 17 17 TRP HH2 H 1 7.104 0.0025 . 1 . . . . 17 TRP HH2 . 18405 1 136 . 1 1 17 17 TRP CA C 13 55.197 0.025 . 1 . . . . 17 TRP CA . 18405 1 137 . 1 1 17 17 TRP CB C 13 28.122 0.025 . 1 . . . . 17 TRP CB . 18405 1 138 . 1 1 17 17 TRP CD1 C 13 121.533 0.025 . 1 . . . . 17 TRP CD1 . 18405 1 139 . 1 1 17 17 TRP CE3 C 13 118.37 0.025 . 1 . . . . 17 TRP CE3 . 18405 1 140 . 1 1 17 17 TRP CZ2 C 13 112.268 0.025 . 1 . . . . 17 TRP CZ2 . 18405 1 141 . 1 1 17 17 TRP CZ3 C 13 119.413 0.025 . 1 . . . . 17 TRP CZ3 . 18405 1 142 . 1 1 17 17 TRP CH2 C 13 122.267 0.025 . 1 . . . . 17 TRP CH2 . 18405 1 143 . 1 1 18 18 ILE H H 1 7.112 0.0025 . 1 . . . . 18 ILE H . 18405 1 144 . 1 1 18 18 ILE HA H 1 4.343 0.0025 . 1 . . . . 18 ILE HA . 18405 1 145 . 1 1 18 18 ILE HB H 1 1.812 0.0025 . 1 . . . . 18 ILE HB . 18405 1 146 . 1 1 18 18 ILE HG12 H 1 1.200 0.0025 . 2 . . . . 18 ILE HG12 . 18405 1 147 . 1 1 18 18 ILE HG13 H 1 1.590 0.0025 . 2 . . . . 18 ILE HG13 . 18405 1 148 . 1 1 18 18 ILE HG21 H 1 0.945 0.0025 . 1 . . . . 18 ILE HG21 . 18405 1 149 . 1 1 18 18 ILE HG22 H 1 0.945 0.0025 . 1 . . . . 18 ILE HG22 . 18405 1 150 . 1 1 18 18 ILE HG23 H 1 0.945 0.0025 . 1 . . . . 18 ILE HG23 . 18405 1 151 . 1 1 18 18 ILE HD11 H 1 0.945 0.0025 . 1 . . . . 18 ILE HD11 . 18405 1 152 . 1 1 18 18 ILE HD12 H 1 0.945 0.0025 . 1 . . . . 18 ILE HD12 . 18405 1 153 . 1 1 18 18 ILE HD13 H 1 0.945 0.0025 . 1 . . . . 18 ILE HD13 . 18405 1 154 . 1 1 18 18 ILE CA C 13 58.55 0.025 . 1 . . . . 18 ILE CA . 18405 1 155 . 1 1 18 18 ILE CB C 13 38.017 0.025 . 1 . . . . 18 ILE CB . 18405 1 156 . 1 1 18 18 ILE CG1 C 13 25.65 0.025 . 1 . . . . 18 ILE CG1 . 18405 1 157 . 1 1 18 18 ILE CG2 C 13 15.4 0.025 . 1 . . . . 18 ILE CG2 . 18405 1 158 . 1 1 18 18 ILE CD1 C 13 10.8 0.025 . 1 . . . . 18 ILE CD1 . 18405 1 159 . 1 1 19 19 CYS H H 1 8.517 0.0025 . 1 . . . . 19 CYS H . 18405 1 160 . 1 1 19 19 CYS HA H 1 4.845 0.0025 . 1 . . . . 19 CYS HA . 18405 1 161 . 1 1 19 19 CYS HB2 H 1 2.730 0.0025 . 2 . . . . 19 CYS HB2 . 18405 1 162 . 1 1 19 19 CYS HB3 H 1 3.141 0.0025 . 2 . . . . 19 CYS HB3 . 18405 1 163 . 1 1 19 19 CYS CA C 13 52.59 0.025 . 1 . . . . 19 CYS CA . 18405 1 164 . 1 1 19 19 CYS CB C 13 42.427 0.025 . 1 . . . . 19 CYS CB . 18405 1 165 . 1 1 20 20 VAL H H 1 7.863 0.0025 . 1 . . . . 20 VAL H . 18405 1 166 . 1 1 20 20 VAL HA H 1 4.255 0.0025 . 1 . . . . 20 VAL HA . 18405 1 167 . 1 1 20 20 VAL HB H 1 2.167 0.0025 . 1 . . . . 20 VAL HB . 18405 1 168 . 1 1 20 20 VAL HG11 H 1 0.930 0.0025 . 2 . . . . 20 VAL HG11 . 18405 1 169 . 1 1 20 20 VAL HG12 H 1 0.930 0.0025 . 2 . . . . 20 VAL HG12 . 18405 1 170 . 1 1 20 20 VAL HG13 H 1 0.930 0.0025 . 2 . . . . 20 VAL HG13 . 18405 1 171 . 1 1 20 20 VAL HG21 H 1 0.920 0.0025 . 2 . . . . 20 VAL HG21 . 18405 1 172 . 1 1 20 20 VAL HG22 H 1 0.920 0.0025 . 2 . . . . 20 VAL HG22 . 18405 1 173 . 1 1 20 20 VAL HG23 H 1 0.920 0.0025 . 2 . . . . 20 VAL HG23 . 18405 1 174 . 1 1 20 20 VAL CA C 13 59.807 0.025 . 1 . . . . 20 VAL CA . 18405 1 175 . 1 1 20 20 VAL CB C 13 31.885 0.025 . 1 . . . . 20 VAL CB . 18405 1 176 . 1 1 20 20 VAL CG1 C 13 19.43 0.025 . 2 . . . . 20 VAL CG1 . 18405 1 177 . 1 1 20 20 VAL CG2 C 13 17.88 0.025 . 2 . . . . 20 VAL CG2 . 18405 1 stop_ save_