################################### # 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_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4157 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 COSY 1 $sample_one . 4157 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 1 1 PHE HA H 1 4.34 0.005 . 1 . . . . . . . . . 4157 1 2 . 1 1 1 1 PHE HB2 H 1 3.20 0.005 . 1 . . . . . . . . . 4157 1 3 . 1 1 1 1 PHE HB3 H 1 3.20 0.005 . 1 . . . . . . . . . 4157 1 4 . 1 1 1 1 PHE HD1 H 1 7.35 0.005 . 1 . . . . . . . . . 4157 1 5 . 1 1 1 1 PHE HD2 H 1 7.35 0.005 . 1 . . . . . . . . . 4157 1 6 . 1 1 1 1 PHE HE1 H 1 7.22 0.005 . 1 . . . . . . . . . 4157 1 7 . 1 1 1 1 PHE HE2 H 1 7.22 0.005 . 1 . . . . . . . . . 4157 1 8 . 1 1 2 2 LYS H H 1 8.68 0.005 . 1 . . . . . . . . . 4157 1 9 . 1 1 2 2 LYS HA H 1 4.43 0.005 . 1 . . . . . . . . . 4157 1 10 . 1 1 2 2 LYS HB2 H 1 1.71 0.005 . 2 . . . . . . . . . 4157 1 11 . 1 1 2 2 LYS HB3 H 1 1.76 0.005 . 2 . . . . . . . . . 4157 1 12 . 1 1 3 3 CYS H H 1 8.79 0.005 . 1 . . . . . . . . . 4157 1 13 . 1 1 3 3 CYS HA H 1 4.52 0.005 . 1 . . . . . . . . . 4157 1 14 . 1 1 3 3 CYS HB2 H 1 2.70 0.005 . 1 . . . . . . . . . 4157 1 15 . 1 1 3 3 CYS HB3 H 1 2.82 0.005 . 1 . . . . . . . . . 4157 1 16 . 1 1 4 4 ARG H H 1 8.77 0.005 . 1 . . . . . . . . . 4157 1 17 . 1 1 4 4 ARG HA H 1 4.37 0.005 . 1 . . . . . . . . . 4157 1 18 . 1 1 4 4 ARG HB2 H 1 1.56 0.005 . 1 . . . . . . . . . 4157 1 19 . 1 1 4 4 ARG HB3 H 1 1.56 0.005 . 1 . . . . . . . . . 4157 1 20 . 1 1 4 4 ARG HG2 H 1 1.77 0.005 . 1 . . . . . . . . . 4157 1 21 . 1 1 4 4 ARG HG3 H 1 1.77 0.005 . 1 . . . . . . . . . 4157 1 22 . 1 1 4 4 ARG HD2 H 1 3.11 0.005 . 1 . . . . . . . . . 4157 1 23 . 1 1 4 4 ARG HD3 H 1 3.11 0.005 . 1 . . . . . . . . . 4157 1 24 . 1 1 4 4 ARG HE H 1 7.18 0.005 . 1 . . . . . . . . . 4157 1 25 . 1 1 5 5 ARG H H 1 7.85 0.005 . 1 . . . . . . . . . 4157 1 26 . 1 1 5 5 ARG HA H 1 4.40 0.005 . 1 . . . . . . . . . 4157 1 27 . 1 1 5 5 ARG HB2 H 1 1.62 0.005 . 2 . . . . . . . . . 4157 1 28 . 1 1 5 5 ARG HB3 H 1 1.68 0.005 . 2 . . . . . . . . . 4157 1 29 . 1 1 5 5 ARG HG2 H 1 1.45 0.005 . 1 . . . . . . . . . 4157 1 30 . 1 1 5 5 ARG HG3 H 1 1.45 0.005 . 1 . . . . . . . . . 4157 1 31 . 1 1 5 5 ARG HD2 H 1 3.11 0.005 . 1 . . . . . . . . . 4157 1 32 . 1 1 5 5 ARG HD3 H 1 3.11 0.005 . 1 . . . . . . . . . 4157 1 33 . 1 1 5 5 ARG HE H 1 7.21 0.005 . 1 . . . . . . . . . 4157 1 34 . 1 1 6 6 TRP H H 1 8.67 0.005 . 1 . . . . . . . . . 4157 1 35 . 1 1 6 6 TRP HA H 1 5.01 0.005 . 1 . . . . . . . . . 4157 1 36 . 1 1 6 6 TRP HB2 H 1 3.06 0.005 . 1 . . . . . . . . . 4157 1 37 . 1 1 6 6 TRP HB3 H 1 3.06 0.005 . 1 . . . . . . . . . 4157 1 38 . 1 1 6 6 TRP HD1 H 1 7.12 0.005 . 1 . . . . . . . . . 4157 1 39 . 1 1 6 6 TRP HE1 H 1 10.10 0.005 . 1 . . . . . . . . . 4157 1 40 . 1 1 6 6 TRP HE3 H 1 7.34 0.005 . 1 . . . . . . . . . 4157 1 41 . 1 1 6 6 TRP HZ2 H 1 7.46 0.005 . 1 . . . . . . . . . 4157 1 42 . 1 1 6 6 TRP HZ3 H 1 7.01 0.005 . 1 . . . . . . . . . 4157 1 43 . 1 1 6 6 TRP HH2 H 1 7.21 0.005 . 1 . . . . . . . . . 4157 1 44 . 1 1 7 7 GLN H H 1 8.81 0.005 . 1 . . . . . . . . . 4157 1 45 . 1 1 7 7 GLN HA H 1 4.58 0.005 . 1 . . . . . . . . . 4157 1 46 . 1 1 7 7 GLN HB2 H 1 1.86 0.005 . 2 . . . . . . . . . 4157 1 47 . 1 1 7 7 GLN HB3 H 1 1.98 0.005 . 2 . . . . . . . . . 4157 1 48 . 1 1 7 7 GLN HG2 H 1 2.20 0.005 . 1 . . . . . . . . . 4157 1 49 . 1 1 7 7 GLN HG3 H 1 2.20 0.005 . 1 . . . . . . . . . 4157 1 50 . 1 1 7 7 GLN HE21 H 1 6.90 0.005 . 2 . . . . . . . . . 4157 1 51 . 1 1 7 7 GLN HE22 H 1 7.48 0.005 . 2 . . . . . . . . . 4157 1 52 . 1 1 8 8 TRP H H 1 8.63 0.005 . 1 . . . . . . . . . 4157 1 53 . 1 1 8 8 TRP HA H 1 4.87 0.005 . 1 . . . . . . . . . 4157 1 54 . 1 1 8 8 TRP HB2 H 1 3.21 0.005 . 1 . . . . . . . . . 4157 1 55 . 1 1 8 8 TRP HB3 H 1 3.21 0.005 . 1 . . . . . . . . . 4157 1 56 . 1 1 8 8 TRP HD1 H 1 7.24 0.005 . 1 . . . . . . . . . 4157 1 57 . 1 1 8 8 TRP HE1 H 1 10.17 0.005 . 1 . . . . . . . . . 4157 1 58 . 1 1 8 8 TRP HE3 H 1 7.49 0.005 . 1 . . . . . . . . . 4157 1 59 . 1 1 8 8 TRP HZ2 H 1 7.44 0.005 . 1 . . . . . . . . . 4157 1 60 . 1 1 8 8 TRP HZ3 H 1 7.09 0.005 . 1 . . . . . . . . . 4157 1 61 . 1 1 8 8 TRP HH2 H 1 7.21 0.005 . 1 . . . . . . . . . 4157 1 62 . 1 1 9 9 ARG H H 1 8.61 0.005 . 1 . . . . . . . . . 4157 1 63 . 1 1 9 9 ARG HA H 1 4.46 0.005 . 1 . . . . . . . . . 4157 1 64 . 1 1 9 9 ARG HB2 H 1 1.70 0.005 . 2 . . . . . . . . . 4157 1 65 . 1 1 9 9 ARG HB3 H 1 1.81 0.005 . 2 . . . . . . . . . 4157 1 66 . 1 1 9 9 ARG HG2 H 1 1.50 0.005 . 1 . . . . . . . . . 4157 1 67 . 1 1 9 9 ARG HG3 H 1 1.50 0.005 . 1 . . . . . . . . . 4157 1 68 . 1 1 9 9 ARG HD2 H 1 3.14 0.005 . 1 . . . . . . . . . 4157 1 69 . 1 1 9 9 ARG HD3 H 1 3.14 0.005 . 1 . . . . . . . . . 4157 1 70 . 1 1 9 9 ARG HE H 1 7.15 0.005 . 1 . . . . . . . . . 4157 1 71 . 1 1 10 10 MET H H 1 8.46 0.005 . 1 . . . . . . . . . 4157 1 72 . 1 1 10 10 MET HA H 1 4.45 0.005 . 1 . . . . . . . . . 4157 1 73 . 1 1 10 10 MET HB2 H 1 1.99 0.005 . 2 . . . . . . . . . 4157 1 74 . 1 1 10 10 MET HB3 H 1 2.08 0.005 . 2 . . . . . . . . . 4157 1 75 . 1 1 10 10 MET HG2 H 1 2.56 0.005 . 1 . . . . . . . . . 4157 1 76 . 1 1 10 10 MET HG3 H 1 2.56 0.005 . 1 . . . . . . . . . 4157 1 77 . 1 1 11 11 LYS H H 1 8.42 0.005 . 1 . . . . . . . . . 4157 1 78 . 1 1 11 11 LYS HA H 1 4.36 0.005 . 1 . . . . . . . . . 4157 1 79 . 1 1 11 11 LYS HB2 H 1 1.70 0.005 . 2 . . . . . . . . . 4157 1 80 . 1 1 11 11 LYS HB3 H 1 1.82 0.005 . 2 . . . . . . . . . 4157 1 81 . 1 1 11 11 LYS HG2 H 1 1.38 0.005 . 4 . . . . . . . . . 4157 1 82 . 1 1 11 11 LYS HG3 H 1 1.38 0.005 . 4 . . . . . . . . . 4157 1 83 . 1 1 11 11 LYS HD2 H 1 1.44 0.005 . 4 . . . . . . . . . 4157 1 84 . 1 1 11 11 LYS HD3 H 1 1.44 0.005 . 4 . . . . . . . . . 4157 1 85 . 1 1 12 12 LYS H H 1 8.30 0.005 . 1 . . . . . . . . . 4157 1 86 . 1 1 12 12 LYS HA H 1 4.21 0.005 . 1 . . . . . . . . . 4157 1 87 . 1 1 12 12 LYS HB2 H 1 1.80 0.005 . 1 . . . . . . . . . 4157 1 88 . 1 1 12 12 LYS HB3 H 1 1.80 0.005 . 1 . . . . . . . . . 4157 1 89 . 1 1 12 12 LYS HG2 H 1 1.41 0.005 . 4 . . . . . . . . . 4157 1 90 . 1 1 12 12 LYS HG3 H 1 1.41 0.005 . 4 . . . . . . . . . 4157 1 91 . 1 1 12 12 LYS HD2 H 1 1.71 0.005 . 4 . . . . . . . . . 4157 1 92 . 1 1 12 12 LYS HD3 H 1 1.71 0.005 . 4 . . . . . . . . . 4157 1 93 . 1 1 12 12 LYS HE2 H 1 3.14 0.005 . 1 . . . . . . . . . 4157 1 94 . 1 1 12 12 LYS HE3 H 1 3.14 0.005 . 1 . . . . . . . . . 4157 1 95 . 1 1 12 12 LYS HZ1 H 1 7.15 0.005 . 2 . . . . . . . . . 4157 1 96 . 1 1 12 12 LYS HZ2 H 1 7.15 0.005 . 2 . . . . . . . . . 4157 1 97 . 1 1 12 12 LYS HZ3 H 1 7.15 0.005 . 2 . . . . . . . . . 4157 1 98 . 1 1 13 13 LEU H H 1 8.19 0.005 . 1 . . . . . . . . . 4157 1 99 . 1 1 13 13 LEU HA H 1 4.33 0.005 . 1 . . . . . . . . . 4157 1 100 . 1 1 13 13 LEU HB2 H 1 1.68 0.005 . 1 . . . . . . . . . 4157 1 101 . 1 1 13 13 LEU HB3 H 1 1.68 0.005 . 1 . . . . . . . . . 4157 1 102 . 1 1 13 13 LEU HG H 1 1.61 0.005 . 1 . . . . . . . . . 4157 1 103 . 1 1 13 13 LEU HD11 H 1 0.91 0.005 . 4 . . . . . . . . . 4157 1 104 . 1 1 13 13 LEU HD12 H 1 0.91 0.005 . 4 . . . . . . . . . 4157 1 105 . 1 1 13 13 LEU HD13 H 1 0.91 0.005 . 4 . . . . . . . . . 4157 1 106 . 1 1 13 13 LEU HD21 H 1 0.91 0.005 . 4 . . . . . . . . . 4157 1 107 . 1 1 13 13 LEU HD22 H 1 0.91 0.005 . 4 . . . . . . . . . 4157 1 108 . 1 1 13 13 LEU HD23 H 1 0.91 0.005 . 4 . . . . . . . . . 4157 1 109 . 1 1 14 14 GLY H H 1 8.34 0.005 . 1 . . . . . . . . . 4157 1 110 . 1 1 14 14 GLY HA2 H 1 3.91 0.005 . 1 . . . . . . . . . 4157 1 111 . 1 1 14 14 GLY HA3 H 1 4.06 0.005 . 1 . . . . . . . . . 4157 1 112 . 1 1 15 15 ALA H H 1 8.11 0.005 . 1 . . . . . . . . . 4157 1 113 . 1 1 15 15 ALA HA H 1 4.65 0.005 . 1 . . . . . . . . . 4157 1 114 . 1 1 15 15 ALA HB1 H 1 1.37 0.005 . 1 . . . . . . . . . 4157 1 115 . 1 1 15 15 ALA HB2 H 1 1.37 0.005 . 1 . . . . . . . . . 4157 1 116 . 1 1 15 15 ALA HB3 H 1 1.37 0.005 . 1 . . . . . . . . . 4157 1 117 . 1 1 16 16 PRO HA H 1 4.60 0.005 . 1 . . . . . . . . . 4157 1 118 . 1 1 16 16 PRO HB2 H 1 1.88 0.005 . 1 . . . . . . . . . 4157 1 119 . 1 1 16 16 PRO HB3 H 1 2.25 0.005 . 1 . . . . . . . . . 4157 1 120 . 1 1 16 16 PRO HG2 H 1 2.00 0.005 . 1 . . . . . . . . . 4157 1 121 . 1 1 16 16 PRO HG3 H 1 2.00 0.005 . 1 . . . . . . . . . 4157 1 122 . 1 1 16 16 PRO HD2 H 1 3.64 0.005 . 1 . . . . . . . . . 4157 1 123 . 1 1 16 16 PRO HD3 H 1 3.78 0.005 . 1 . . . . . . . . . 4157 1 124 . 1 1 17 17 SER H H 1 8.49 0.005 . 1 . . . . . . . . . 4157 1 125 . 1 1 17 17 SER HA H 1 4.69 0.005 . 1 . . . . . . . . . 4157 1 126 . 1 1 17 17 SER HB2 H 1 3.83 0.005 . 1 . . . . . . . . . 4157 1 127 . 1 1 17 17 SER HB3 H 1 3.83 0.005 . 1 . . . . . . . . . 4157 1 128 . 1 1 18 18 ILE H H 1 8.34 0.005 . 1 . . . . . . . . . 4157 1 129 . 1 1 18 18 ILE HA H 1 4.48 0.005 . 1 . . . . . . . . . 4157 1 130 . 1 1 18 18 ILE HB H 1 1.38 0.005 . 1 . . . . . . . . . 4157 1 131 . 1 1 18 18 ILE HG12 H 1 0.77 0.005 . 1 . . . . . . . . . 4157 1 132 . 1 1 18 18 ILE HG13 H 1 1.05 0.005 . 1 . . . . . . . . . 4157 1 133 . 1 1 18 18 ILE HG21 H 1 0.62 0.005 . 1 . . . . . . . . . 4157 1 134 . 1 1 18 18 ILE HG22 H 1 0.62 0.005 . 1 . . . . . . . . . 4157 1 135 . 1 1 18 18 ILE HG23 H 1 0.62 0.005 . 1 . . . . . . . . . 4157 1 136 . 1 1 18 18 ILE HD11 H 1 0.42 0.005 . 1 . . . . . . . . . 4157 1 137 . 1 1 18 18 ILE HD12 H 1 0.42 0.005 . 1 . . . . . . . . . 4157 1 138 . 1 1 18 18 ILE HD13 H 1 0.42 0.005 . 1 . . . . . . . . . 4157 1 139 . 1 1 19 19 THR H H 1 8.56 0.005 . 1 . . . . . . . . . 4157 1 140 . 1 1 19 19 THR HA H 1 4.68 0.005 . 1 . . . . . . . . . 4157 1 141 . 1 1 19 19 THR HB H 1 4.07 0.005 . 1 . . . . . . . . . 4157 1 142 . 1 1 19 19 THR HG21 H 1 1.16 0.005 . 1 . . . . . . . . . 4157 1 143 . 1 1 19 19 THR HG22 H 1 1.16 0.005 . 1 . . . . . . . . . 4157 1 144 . 1 1 19 19 THR HG23 H 1 1.16 0.005 . 1 . . . . . . . . . 4157 1 145 . 1 1 20 20 CYS H H 1 8.90 0.005 . 1 . . . . . . . . . 4157 1 146 . 1 1 20 20 CYS HA H 1 4.49 0.005 . 1 . . . . . . . . . 4157 1 147 . 1 1 20 20 CYS HB2 H 1 3.04 0.005 . 1 . . . . . . . . . 4157 1 148 . 1 1 20 20 CYS HB3 H 1 2.50 0.005 . 1 . . . . . . . . . 4157 1 149 . 1 1 21 21 VAL H H 1 8.44 0.005 . 1 . . . . . . . . . 4157 1 150 . 1 1 21 21 VAL HA H 1 4.49 0.005 . 1 . . . . . . . . . 4157 1 151 . 1 1 21 21 VAL HB H 1 2.09 0.005 . 1 . . . . . . . . . 4157 1 152 . 1 1 21 21 VAL HG11 H 1 0.89 0.005 . 2 . . . . . . . . . 4157 1 153 . 1 1 21 21 VAL HG12 H 1 0.89 0.005 . 2 . . . . . . . . . 4157 1 154 . 1 1 21 21 VAL HG13 H 1 0.89 0.005 . 2 . . . . . . . . . 4157 1 155 . 1 1 21 21 VAL HG21 H 1 0.81 0.005 . 2 . . . . . . . . . 4157 1 156 . 1 1 21 21 VAL HG22 H 1 0.81 0.005 . 2 . . . . . . . . . 4157 1 157 . 1 1 21 21 VAL HG23 H 1 0.81 0.005 . 2 . . . . . . . . . 4157 1 158 . 1 1 22 22 ARG H H 1 7.96 0.005 . 1 . . . . . . . . . 4157 1 159 . 1 1 22 22 ARG HA H 1 4.39 0.005 . 1 . . . . . . . . . 4157 1 160 . 1 1 22 22 ARG HB2 H 1 1.68 0.005 . 1 . . . . . . . . . 4157 1 161 . 1 1 22 22 ARG HB3 H 1 1.68 0.005 . 1 . . . . . . . . . 4157 1 162 . 1 1 22 22 ARG HG2 H 1 1.49 0.005 . 2 . . . . . . . . . 4157 1 163 . 1 1 22 22 ARG HG3 H 1 1.57 0.005 . 2 . . . . . . . . . 4157 1 164 . 1 1 22 22 ARG HD2 H 1 3.09 0.005 . 1 . . . . . . . . . 4157 1 165 . 1 1 22 22 ARG HD3 H 1 3.09 0.005 . 1 . . . . . . . . . 4157 1 166 . 1 1 22 22 ARG HE H 1 7.11 0.005 . 1 . . . . . . . . . 4157 1 167 . 1 1 23 23 ARG H H 1 8.55 0.005 . 1 . . . . . . . . . 4157 1 168 . 1 1 23 23 ARG HA H 1 4.35 0.005 . 1 . . . . . . . . . 4157 1 169 . 1 1 23 23 ARG HB2 H 1 1.63 0.005 . 2 . . . . . . . . . 4157 1 170 . 1 1 23 23 ARG HB3 H 1 1.68 0.005 . 2 . . . . . . . . . 4157 1 171 . 1 1 23 23 ARG HG2 H 1 1.40 0.005 . 2 . . . . . . . . . 4157 1 172 . 1 1 23 23 ARG HG3 H 1 1.46 0.005 . 2 . . . . . . . . . 4157 1 173 . 1 1 23 23 ARG HD2 H 1 2.92 0.005 . 1 . . . . . . . . . 4157 1 174 . 1 1 23 23 ARG HD3 H 1 2.92 0.005 . 1 . . . . . . . . . 4157 1 175 . 1 1 23 23 ARG HE H 1 6.95 0.005 . 1 . . . . . . . . . 4157 1 176 . 1 1 24 24 ALA H H 1 8.28 0.005 . 1 . . . . . . . . . 4157 1 177 . 1 1 24 24 ALA HA H 1 4.28 0.005 . 1 . . . . . . . . . 4157 1 178 . 1 1 24 24 ALA HB1 H 1 1.29 0.005 . 1 . . . . . . . . . 4157 1 179 . 1 1 24 24 ALA HB2 H 1 1.29 0.005 . 1 . . . . . . . . . 4157 1 180 . 1 1 24 24 ALA HB3 H 1 1.29 0.005 . 1 . . . . . . . . . 4157 1 181 . 1 1 25 25 PHE H H 1 7.67 0.005 . 1 . . . . . . . . . 4157 1 182 . 1 1 25 25 PHE HA H 1 4.38 0.005 . 1 . . . . . . . . . 4157 1 183 . 1 1 25 25 PHE HB2 H 1 3.14 0.005 . 1 . . . . . . . . . 4157 1 184 . 1 1 25 25 PHE HB3 H 1 2.97 0.005 . 1 . . . . . . . . . 4157 1 185 . 1 1 25 25 PHE HD1 H 1 7.22 0.005 . 1 . . . . . . . . . 4157 1 186 . 1 1 25 25 PHE HD2 H 1 7.22 0.005 . 1 . . . . . . . . . 4157 1 stop_ save_