################################### # 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 19846 _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' . . . 19846 1 2 '2D 1H-1H NOESY' . . . 19846 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 4.657112 0.01 . . . . . A 1 CYS HA . 19846 1 2 . 1 1 1 1 CYS HB2 H 1 3.212137 0.01 . . . . . A 1 CYS HB2 . 19846 1 3 . 1 1 1 1 CYS HB3 H 1 3.212137 0.01 . . . . . A 1 CYS HB3 . 19846 1 4 . 1 1 2 2 VAL H H 1 9.113529 0.01 . . . . . A 2 VAL H . 19846 1 5 . 1 1 2 2 VAL HA H 1 4.33449 0.01 . . . . . A 2 VAL HA . 19846 1 6 . 1 1 2 2 VAL HB H 1 1.822172 0.01 . . . . . A 2 VAL HB . 19846 1 7 . 1 1 2 2 VAL HG11 H 1 1.007557 0.01 . . . . . A 2 VAL HG11 . 19846 1 8 . 1 1 2 2 VAL HG12 H 1 1.007557 0.01 . . . . . A 2 VAL HG12 . 19846 1 9 . 1 1 2 2 VAL HG13 H 1 1.007557 0.01 . . . . . A 2 VAL HG13 . 19846 1 10 . 1 1 2 2 VAL HG21 H 1 0.867801 0.01 . . . . . A 2 VAL HG21 . 19846 1 11 . 1 1 2 2 VAL HG22 H 1 0.867801 0.01 . . . . . A 2 VAL HG22 . 19846 1 12 . 1 1 2 2 VAL HG23 H 1 0.867801 0.01 . . . . . A 2 VAL HG23 . 19846 1 13 . 1 1 3 3 PRO HA H 1 4.418785 0.01 . . . . . A 3 PRO HA . 19846 1 14 . 1 1 3 3 PRO HB2 H 1 2.238741 0.01 . . . . . A 3 PRO HB2 . 19846 1 15 . 1 1 3 3 PRO HB3 H 1 1.779947 0.01 . . . . . A 3 PRO HB3 . 19846 1 16 . 1 1 3 3 PRO HG2 H 1 1.987439 0.01 . . . . . A 3 PRO HG2 . 19846 1 17 . 1 1 3 3 PRO HG3 H 1 1.987439 0.01 . . . . . A 3 PRO HG3 . 19846 1 18 . 1 1 3 3 PRO HD2 H 1 3.882062 0.01 . . . . . A 3 PRO HD2 . 19846 1 19 . 1 1 3 3 PRO HD3 H 1 3.758874 0.01 . . . . . A 3 PRO HD3 . 19846 1 20 . 1 1 4 4 GLN H H 1 7.6765 0.01 . . . . . A 4 GLN H . 19846 1 21 . 1 1 4 4 GLN HA H 1 2.659299 0.01 . . . . . A 4 GLN HA . 19846 1 22 . 1 1 4 4 GLN HB2 H 1 0.62764 0.01 . . . . . A 4 GLN HB2 . 19846 1 23 . 1 1 4 4 GLN HB3 H 1 0.383163 0.01 . . . . . A 4 GLN HB3 . 19846 1 24 . 1 1 4 4 GLN HG2 H 1 1.131437 0.01 . . . . . A 4 GLN HG2 . 19846 1 25 . 1 1 4 4 GLN HG3 H 1 0.445102 0.01 . . . . . A 4 GLN HG3 . 19846 1 26 . 1 1 4 4 GLN HE21 H 1 6.654837 0.01 . . . . . A 4 GLN HE21 . 19846 1 27 . 1 1 4 4 GLN HE22 H 1 6.517014 0.01 . . . . . A 4 GLN HE22 . 19846 1 28 . 1 1 5 5 TYR H H 1 9.486537 0.01 . . . . . A 5 TYR H . 19846 1 29 . 1 1 5 5 TYR HA H 1 3.965873 0.01 . . . . . A 5 TYR HA . 19846 1 30 . 1 1 5 5 TYR HB2 H 1 3.322434 0.01 . . . . . A 5 TYR HB2 . 19846 1 31 . 1 1 5 5 TYR HB3 H 1 3.197035 0.01 . . . . . A 5 TYR HB3 . 19846 1 32 . 1 1 5 5 TYR HD1 H 1 6.928587 0.01 . . . . . A 5 TYR HD1 . 19846 1 33 . 1 1 5 5 TYR HD2 H 1 6.928587 0.01 . . . . . A 5 TYR HD2 . 19846 1 34 . 1 1 5 5 TYR HE1 H 1 6.660374 0.01 . . . . . A 5 TYR HE1 . 19846 1 35 . 1 1 5 5 TYR HE2 H 1 6.660374 0.01 . . . . . A 5 TYR HE2 . 19846 1 36 . 1 1 6 6 GLY H H 1 8.519877 0.01 . . . . . A 6 GLY H . 19846 1 37 . 1 1 6 6 GLY HA2 H 1 3.43192 0.01 . . . . . A 6 GLY HA2 . 19846 1 38 . 1 1 6 6 GLY HA3 H 1 4.205266 0.01 . . . . . A 6 GLY HA3 . 19846 1 39 . 1 1 7 7 VAL H H 1 8.178022 0.01 . . . . . A 7 VAL H . 19846 1 40 . 1 1 7 7 VAL HA H 1 3.916605 0.01 . . . . . A 7 VAL HA . 19846 1 41 . 1 1 7 7 VAL HB H 1 1.785654 0.01 . . . . . A 7 VAL HB . 19846 1 42 . 1 1 7 7 VAL HG11 H 1 0.893126 0.01 . . . . . A 7 VAL HG11 . 19846 1 43 . 1 1 7 7 VAL HG12 H 1 0.893126 0.01 . . . . . A 7 VAL HG12 . 19846 1 44 . 1 1 7 7 VAL HG13 H 1 0.893126 0.01 . . . . . A 7 VAL HG13 . 19846 1 45 . 1 1 7 7 VAL HG21 H 1 0.742584 0.01 . . . . . A 7 VAL HG21 . 19846 1 46 . 1 1 7 7 VAL HG22 H 1 0.742584 0.01 . . . . . A 7 VAL HG22 . 19846 1 47 . 1 1 7 7 VAL HG23 H 1 0.742584 0.01 . . . . . A 7 VAL HG23 . 19846 1 48 . 1 1 8 8 CYS H H 1 8.016 0.01 . . . . . A 8 CYS H . 19846 1 49 . 1 1 8 8 CYS HA H 1 4.954011 0.01 . . . . . A 8 CYS HA . 19846 1 50 . 1 1 8 8 CYS HB2 H 1 3.220868 0.01 . . . . . A 8 CYS HB2 . 19846 1 51 . 1 1 8 8 CYS HB3 H 1 2.690314 0.01 . . . . . A 8 CYS HB3 . 19846 1 52 . 1 1 9 9 ASP H H 1 8.509129 0.01 . . . . . A 9 ASP H . 19846 1 53 . 1 1 9 9 ASP HA H 1 4.779082 0.01 . . . . . A 9 ASP HA . 19846 1 54 . 1 1 9 9 ASP HB2 H 1 2.876094 0.01 . . . . . A 9 ASP HB2 . 19846 1 55 . 1 1 9 9 ASP HB3 H 1 2.827078 0.01 . . . . . A 9 ASP HB3 . 19846 1 56 . 1 1 10 10 GLY H H 1 8.159513 0.01 . . . . . A 10 GLY H . 19846 1 57 . 1 1 10 10 GLY HA2 H 1 3.909127 0.01 . . . . . A 10 GLY HA2 . 19846 1 58 . 1 1 10 10 GLY HA3 H 1 4.127834 0.01 . . . . . A 10 GLY HA3 . 19846 1 59 . 1 1 11 11 ILE H H 1 8.263829 0.01 . . . . . A 11 ILE H . 19846 1 60 . 1 1 11 11 ILE HA H 1 4.158154 0.01 . . . . . A 11 ILE HA . 19846 1 61 . 1 1 11 11 ILE HB H 1 1.844214 0.01 . . . . . A 11 ILE HB . 19846 1 62 . 1 1 11 11 ILE HG12 H 1 1.380901 0.01 . . . . . A 11 ILE HG12 . 19846 1 63 . 1 1 11 11 ILE HG13 H 1 1.175171 0.01 . . . . . A 11 ILE HG13 . 19846 1 64 . 1 1 11 11 ILE HG21 H 1 0.89125 0.01 . . . . . A 11 ILE HG21 . 19846 1 65 . 1 1 11 11 ILE HG22 H 1 0.89125 0.01 . . . . . A 11 ILE HG22 . 19846 1 66 . 1 1 11 11 ILE HG23 H 1 0.89125 0.01 . . . . . A 11 ILE HG23 . 19846 1 67 . 1 1 11 11 ILE HD11 H 1 0.830822 0.01 . . . . . A 11 ILE HD11 . 19846 1 68 . 1 1 11 11 ILE HD12 H 1 0.830822 0.01 . . . . . A 11 ILE HD12 . 19846 1 69 . 1 1 11 11 ILE HD13 H 1 0.830822 0.01 . . . . . A 11 ILE HD13 . 19846 1 70 . 1 1 12 12 ILE H H 1 8.194918 0.01 . . . . . A 12 ILE H . 19846 1 71 . 1 1 12 12 ILE HA H 1 4.06811 0.01 . . . . . A 12 ILE HA . 19846 1 72 . 1 1 12 12 ILE HB H 1 1.874873 0.01 . . . . . A 12 ILE HB . 19846 1 73 . 1 1 12 12 ILE HG13 H 1 1.475515 0.01 . . . . . A 12 ILE HG13 . 19846 1 74 . 1 1 12 12 ILE HG21 H 1 0.860297 0.01 . . . . . A 12 ILE HG21 . 19846 1 75 . 1 1 12 12 ILE HG22 H 1 0.860297 0.01 . . . . . A 12 ILE HG22 . 19846 1 76 . 1 1 12 12 ILE HG23 H 1 0.860297 0.01 . . . . . A 12 ILE HG23 . 19846 1 77 . 1 1 12 12 ILE HD11 H 1 0.816519 0.01 . . . . . A 12 ILE HD11 . 19846 1 78 . 1 1 12 12 ILE HD12 H 1 0.816519 0.01 . . . . . A 12 ILE HD12 . 19846 1 79 . 1 1 12 12 ILE HD13 H 1 0.816519 0.01 . . . . . A 12 ILE HD13 . 19846 1 80 . 1 1 13 13 ASN H H 1 8.524353 0.01 . . . . . A 13 ASN H . 19846 1 81 . 1 1 13 13 ASN HA H 1 4.806751 0.01 . . . . . A 13 ASN HA . 19846 1 82 . 1 1 13 13 ASN HB2 H 1 2.736983 0.01 . . . . . A 13 ASN HB2 . 19846 1 83 . 1 1 13 13 ASN HB3 H 1 2.663806 0.01 . . . . . A 13 ASN HB3 . 19846 1 84 . 1 1 13 13 ASN HD21 H 1 7.665288 0.01 . . . . . A 13 ASN HD21 . 19846 1 85 . 1 1 13 13 ASN HD22 H 1 6.921633 0.01 . . . . . A 13 ASN HD22 . 19846 1 86 . 1 1 14 14 GLN H H 1 8.524303 0.01 . . . . . A 14 GLN H . 19846 1 87 . 1 1 14 14 GLN HA H 1 4.477997 0.01 . . . . . A 14 GLN HA . 19846 1 88 . 1 1 14 14 GLN HB2 H 1 2.110552 0.01 . . . . . A 14 GLN HB2 . 19846 1 89 . 1 1 14 14 GLN HB3 H 1 1.877043 0.01 . . . . . A 14 GLN HB3 . 19846 1 90 . 1 1 14 14 GLN HG2 H 1 2.253632 0.01 . . . . . A 14 GLN HG2 . 19846 1 91 . 1 1 14 14 GLN HG3 H 1 2.287399 0.01 . . . . . A 14 GLN HG3 . 19846 1 92 . 1 1 14 14 GLN HE21 H 1 7.445108 0.01 . . . . . A 14 GLN HE21 . 19846 1 93 . 1 1 14 14 GLN HE22 H 1 6.774846 0.01 . . . . . A 14 GLN HE22 . 19846 1 94 . 1 1 15 15 CYS H H 1 8.73271 0.01 . . . . . A 15 CYS H . 19846 1 95 . 1 1 15 15 CYS HA H 1 4.857397 0.01 . . . . . A 15 CYS HA . 19846 1 96 . 1 1 15 15 CYS HB2 H 1 2.599489 0.01 . . . . . A 15 CYS HB2 . 19846 1 97 . 1 1 15 15 CYS HB3 H 1 2.74484 0.01 . . . . . A 15 CYS HB3 . 19846 1 98 . 1 1 16 16 CYS H H 1 9.798045 0.01 . . . . . A 16 CYS H . 19846 1 99 . 1 1 16 16 CYS HA H 1 4.562463 0.01 . . . . . A 16 CYS HA . 19846 1 100 . 1 1 16 16 CYS HB2 H 1 2.565034 0.01 . . . . . A 16 CYS HB2 . 19846 1 101 . 1 1 16 16 CYS HB3 H 1 3.331243 0.01 . . . . . A 16 CYS HB3 . 19846 1 102 . 1 1 17 17 ASP H H 1 8.784776 0.01 . . . . . A 17 ASP H . 19846 1 103 . 1 1 17 17 ASP HA H 1 4.655271 0.01 . . . . . A 17 ASP HA . 19846 1 104 . 1 1 17 17 ASP HB2 H 1 2.656485 0.01 . . . . . A 17 ASP HB2 . 19846 1 105 . 1 1 17 17 ASP HB3 H 1 2.656485 0.01 . . . . . A 17 ASP HB3 . 19846 1 106 . 1 1 18 18 PRO HA H 1 4.650751 0.01 . . . . . A 18 PRO HA . 19846 1 107 . 1 1 18 18 PRO HB2 H 1 2.22679 0.01 . . . . . A 18 PRO HB2 . 19846 1 108 . 1 1 18 18 PRO HB3 H 1 0.708879 0.01 . . . . . A 18 PRO HB3 . 19846 1 109 . 1 1 18 18 PRO HG2 H 1 1.632659 0.01 . . . . . A 18 PRO HG2 . 19846 1 110 . 1 1 18 18 PRO HG3 H 1 1.726282 0.01 . . . . . A 18 PRO HG3 . 19846 1 111 . 1 1 18 18 PRO HD2 H 1 3.089062 0.01 . . . . . A 18 PRO HD2 . 19846 1 112 . 1 1 18 18 PRO HD3 H 1 3.089062 0.01 . . . . . A 18 PRO HD3 . 19846 1 113 . 1 1 19 19 TYR H H 1 8.511658 0.01 . . . . . A 19 TYR H . 19846 1 114 . 1 1 19 19 TYR HA H 1 4.608373 0.01 . . . . . A 19 TYR HA . 19846 1 115 . 1 1 19 19 TYR HB2 H 1 2.91019 0.01 . . . . . A 19 TYR HB2 . 19846 1 116 . 1 1 19 19 TYR HB3 H 1 2.73531 0.01 . . . . . A 19 TYR HB3 . 19846 1 117 . 1 1 19 19 TYR HD1 H 1 6.898873 0.01 . . . . . A 19 TYR HD1 . 19846 1 118 . 1 1 19 19 TYR HD2 H 1 6.898873 0.01 . . . . . A 19 TYR HD2 . 19846 1 119 . 1 1 19 19 TYR HE1 H 1 6.663189 0.01 . . . . . A 19 TYR HE1 . 19846 1 120 . 1 1 19 19 TYR HE2 H 1 6.663189 0.01 . . . . . A 19 TYR HE2 . 19846 1 121 . 1 1 20 20 TYR H H 1 8.477519 0.01 . . . . . A 20 TYR H . 19846 1 122 . 1 1 20 20 TYR HA H 1 4.857401 0.01 . . . . . A 20 TYR HA . 19846 1 123 . 1 1 20 20 TYR HB2 H 1 2.884591 0.01 . . . . . A 20 TYR HB2 . 19846 1 124 . 1 1 20 20 TYR HB3 H 1 2.939967 0.01 . . . . . A 20 TYR HB3 . 19846 1 125 . 1 1 20 20 TYR HD1 H 1 6.940599 0.01 . . . . . A 20 TYR HD1 . 19846 1 126 . 1 1 20 20 TYR HD2 H 1 6.940599 0.01 . . . . . A 20 TYR HD2 . 19846 1 127 . 1 1 20 20 TYR HE1 H 1 6.765463 0.01 . . . . . A 20 TYR HE1 . 19846 1 128 . 1 1 20 20 TYR HE2 H 1 6.765463 0.01 . . . . . A 20 TYR HE2 . 19846 1 129 . 1 1 21 21 CYS H H 1 8.526831 0.01 . . . . . A 21 CYS H . 19846 1 130 . 1 1 21 21 CYS HA H 1 4.404837 0.01 . . . . . A 21 CYS HA . 19846 1 131 . 1 1 21 21 CYS HB2 H 1 2.885843 0.01 . . . . . A 21 CYS HB2 . 19846 1 132 . 1 1 21 21 CYS HB3 H 1 2.980968 0.01 . . . . . A 21 CYS HB3 . 19846 1 133 . 1 1 22 22 SER H H 1 8.559075 0.01 . . . . . A 22 SER H . 19846 1 134 . 1 1 22 22 SER HA H 1 4.657147 0.01 . . . . . A 22 SER HA . 19846 1 135 . 1 1 22 22 SER HB2 H 1 3.567176 0.01 . . . . . A 22 SER HB2 . 19846 1 136 . 1 1 22 22 SER HB3 H 1 3.728837 0.01 . . . . . A 22 SER HB3 . 19846 1 137 . 1 1 23 23 PRO HA H 1 5.081907 0.01 . . . . . A 23 PRO HA . 19846 1 138 . 1 1 23 23 PRO HB2 H 1 2.623086 0.01 . . . . . A 23 PRO HB2 . 19846 1 139 . 1 1 23 23 PRO HB3 H 1 2.004685 0.01 . . . . . A 23 PRO HB3 . 19846 1 140 . 1 1 23 23 PRO HG2 H 1 2.111516 0.01 . . . . . A 23 PRO HG2 . 19846 1 141 . 1 1 23 23 PRO HG3 H 1 2.199321 0.01 . . . . . A 23 PRO HG3 . 19846 1 142 . 1 1 23 23 PRO HD2 H 1 4.000854 0.01 . . . . . A 23 PRO HD2 . 19846 1 143 . 1 1 23 23 PRO HD3 H 1 3.7125 0.01 . . . . . A 23 PRO HD3 . 19846 1 144 . 1 1 24 24 PRO HA H 1 3.959776 0.01 . . . . . A 24 PRO HA . 19846 1 145 . 1 1 24 24 PRO HB2 H 1 2.335769 0.01 . . . . . A 24 PRO HB2 . 19846 1 146 . 1 1 24 24 PRO HB3 H 1 1.842225 0.01 . . . . . A 24 PRO HB3 . 19846 1 147 . 1 1 24 24 PRO HG2 H 1 2.058888 0.01 . . . . . A 24 PRO HG2 . 19846 1 148 . 1 1 24 24 PRO HG3 H 1 2.103235 0.01 . . . . . A 24 PRO HG3 . 19846 1 149 . 1 1 24 24 PRO HD2 H 1 3.850837 0.01 . . . . . A 24 PRO HD2 . 19846 1 150 . 1 1 24 24 PRO HD3 H 1 3.850837 0.01 . . . . . A 24 PRO HD3 . 19846 1 151 . 1 1 25 25 ILE H H 1 7.609485 0.01 . . . . . A 25 ILE H . 19846 1 152 . 1 1 25 25 ILE HA H 1 3.73748 0.01 . . . . . A 25 ILE HA . 19846 1 153 . 1 1 25 25 ILE HB H 1 1.979255 0.01 . . . . . A 25 ILE HB . 19846 1 154 . 1 1 25 25 ILE HG12 H 1 1.100636 0.01 . . . . . A 25 ILE HG12 . 19846 1 155 . 1 1 25 25 ILE HG13 H 1 1.413078 0.01 . . . . . A 25 ILE HG13 . 19846 1 156 . 1 1 25 25 ILE HG21 H 1 0.816146 0.01 . . . . . A 25 ILE HG21 . 19846 1 157 . 1 1 25 25 ILE HG22 H 1 0.816146 0.01 . . . . . A 25 ILE HG22 . 19846 1 158 . 1 1 25 25 ILE HG23 H 1 0.816146 0.01 . . . . . A 25 ILE HG23 . 19846 1 159 . 1 1 25 25 ILE HD11 H 1 0.744929 0.01 . . . . . A 25 ILE HD11 . 19846 1 160 . 1 1 25 25 ILE HD12 H 1 0.744929 0.01 . . . . . A 25 ILE HD12 . 19846 1 161 . 1 1 25 25 ILE HD13 H 1 0.744929 0.01 . . . . . A 25 ILE HD13 . 19846 1 162 . 1 1 26 26 TYR H H 1 7.325619 0.01 . . . . . A 26 TYR H . 19846 1 163 . 1 1 26 26 TYR HA H 1 4.723273 0.01 . . . . . A 26 TYR HA . 19846 1 164 . 1 1 26 26 TYR HB2 H 1 3.066554 0.01 . . . . . A 26 TYR HB2 . 19846 1 165 . 1 1 26 26 TYR HB3 H 1 2.894726 0.01 . . . . . A 26 TYR HB3 . 19846 1 166 . 1 1 26 26 TYR HD1 H 1 7.086009 0.01 . . . . . A 26 TYR HD1 . 19846 1 167 . 1 1 26 26 TYR HD2 H 1 7.086009 0.01 . . . . . A 26 TYR HD2 . 19846 1 168 . 1 1 26 26 TYR HE1 H 1 6.73919 0.01 . . . . . A 26 TYR HE1 . 19846 1 169 . 1 1 26 26 TYR HE2 H 1 6.73919 0.01 . . . . . A 26 TYR HE2 . 19846 1 170 . 1 1 27 27 GLY H H 1 8.048243 0.01 . . . . . A 27 GLY H . 19846 1 171 . 1 1 27 27 GLY HA2 H 1 4.239111 0.01 . . . . . A 27 GLY HA2 . 19846 1 172 . 1 1 27 27 GLY HA3 H 1 4.015409 0.01 . . . . . A 27 GLY HA3 . 19846 1 173 . 1 1 28 28 HIS H H 1 8.125075 0.01 . . . . . A 28 HIS H . 19846 1 174 . 1 1 28 28 HIS HA H 1 5.593697 0.01 . . . . . A 28 HIS HA . 19846 1 175 . 1 1 28 28 HIS HB2 H 1 2.738527 0.01 . . . . . A 28 HIS HB2 . 19846 1 176 . 1 1 28 28 HIS HB3 H 1 2.800315 0.01 . . . . . A 28 HIS HB3 . 19846 1 177 . 1 1 28 28 HIS HE1 H 1 7.208027 0.01 . . . . . A 28 HIS HE1 . 19846 1 178 . 1 1 29 29 CYS H H 1 8.373203 0.01 . . . . . A 29 CYS H . 19846 1 179 . 1 1 29 29 CYS HA H 1 4.777675 0.01 . . . . . A 29 CYS HA . 19846 1 180 . 1 1 29 29 CYS HB2 H 1 2.41543 0.01 . . . . . A 29 CYS HB2 . 19846 1 181 . 1 1 29 29 CYS HB3 H 1 2.84689 0.01 . . . . . A 29 CYS HB3 . 19846 1 182 . 1 1 30 30 ILE H H 1 9.158403 0.01 . . . . . A 30 ILE H . 19846 1 183 . 1 1 30 30 ILE HA H 1 4.528501 0.01 . . . . . A 30 ILE HA . 19846 1 184 . 1 1 30 30 ILE HB H 1 1.916027 0.01 . . . . . A 30 ILE HB . 19846 1 185 . 1 1 30 30 ILE HG12 H 1 0.966478 0.01 . . . . . A 30 ILE HG12 . 19846 1 186 . 1 1 30 30 ILE HG21 H 1 0.843649 0.01 . . . . . A 30 ILE HG21 . 19846 1 187 . 1 1 30 30 ILE HG22 H 1 0.843649 0.01 . . . . . A 30 ILE HG22 . 19846 1 188 . 1 1 30 30 ILE HG23 H 1 0.843649 0.01 . . . . . A 30 ILE HG23 . 19846 1 189 . 1 1 30 30 ILE HD11 H 1 0.807303 0.01 . . . . . A 30 ILE HD11 . 19846 1 190 . 1 1 30 30 ILE HD12 H 1 0.807303 0.01 . . . . . A 30 ILE HD12 . 19846 1 191 . 1 1 30 30 ILE HD13 H 1 0.807303 0.01 . . . . . A 30 ILE HD13 . 19846 1 stop_ save_