################################### # 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 19505 _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 NOESY' 1 $sample_1 . 19505 1 2 '2D 1H-1H TOCSY' 1 $sample_1 . 19505 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 LYS HA H 1 4.170 0.01 . 1 . . . A 1 LYS HA . 19505 1 2 . 1 1 1 1 LYS HB2 H 1 2.022 0.01 . 2 . . . A 1 LYS HB2 . 19505 1 3 . 1 1 1 1 LYS HB3 H 1 2.022 0.01 . 2 . . . A 1 LYS HB3 . 19505 1 4 . 1 1 1 1 LYS HG2 H 1 1.585 0.01 . 2 . . . A 1 LYS HG2 . 19505 1 5 . 1 1 1 1 LYS HG3 H 1 1.585 0.01 . 2 . . . A 1 LYS HG3 . 19505 1 6 . 1 1 1 1 LYS HD2 H 1 1.813 0.01 . 2 . . . A 1 LYS HD2 . 19505 1 7 . 1 1 1 1 LYS HD3 H 1 1.813 0.01 . 2 . . . A 1 LYS HD3 . 19505 1 8 . 1 1 2 2 LEU H H 1 8.972 0.02 . 1 . . . A 2 LEU H . 19505 1 9 . 1 1 2 2 LEU HA H 1 4.718 0.01 . 1 . . . A 2 LEU HA . 19505 1 10 . 1 1 2 2 LEU HB2 H 1 1.895 0.01 . 2 . . . A 2 LEU HB2 . 19505 1 11 . 1 1 2 2 LEU HB3 H 1 1.521 0.01 . 2 . . . A 2 LEU HB3 . 19505 1 12 . 1 1 2 2 LEU HG H 1 1.967 0.01 . 1 . . . A 2 LEU HG . 19505 1 13 . 1 1 2 2 LEU HD11 H 1 1.133 0.01 . 1 . . . A 2 LEU HD11 . 19505 1 14 . 1 1 2 2 LEU HD12 H 1 1.133 0.01 . 1 . . . A 2 LEU HD12 . 19505 1 15 . 1 1 2 2 LEU HD13 H 1 1.133 0.01 . 1 . . . A 2 LEU HD13 . 19505 1 16 . 1 1 2 2 LEU HD21 H 1 0.896 0.01 . 1 . . . A 2 LEU HD21 . 19505 1 17 . 1 1 2 2 LEU HD22 H 1 0.896 0.01 . 1 . . . A 2 LEU HD22 . 19505 1 18 . 1 1 2 2 LEU HD23 H 1 0.896 0.01 . 1 . . . A 2 LEU HD23 . 19505 1 19 . 1 1 3 3 PRO HA H 1 4.942 0.01 . 1 . . . A 3 PRO HA . 19505 1 20 . 1 1 3 3 PRO HB2 H 1 2.081 0.01 . 1 . . . A 3 PRO HB2 . 19505 1 21 . 1 1 3 3 PRO HB3 H 1 2.739 0.01 . 1 . . . A 3 PRO HB3 . 19505 1 22 . 1 1 3 3 PRO HG2 H 1 1.740 0.01 . 1 . . . A 3 PRO HG2 . 19505 1 23 . 1 1 3 3 PRO HG3 H 1 1.891 0.01 . 1 . . . A 3 PRO HG3 . 19505 1 24 . 1 1 3 3 PRO HD2 H 1 3.118 0.01 . 1 . . . A 3 PRO HD2 . 19505 1 25 . 1 1 3 3 PRO HD3 H 1 3.808 0.01 . 1 . . . A 3 PRO HD3 . 19505 1 26 . 1 1 4 4 PRO HA H 1 4.458 0.01 . 1 . . . A 4 PRO HA . 19505 1 27 . 1 1 4 4 PRO HB2 H 1 1.990 0.01 . 1 . . . A 4 PRO HB2 . 19505 1 28 . 1 1 4 4 PRO HB3 H 1 2.437 0.01 . 1 . . . A 4 PRO HB3 . 19505 1 29 . 1 1 4 4 PRO HG2 H 1 2.162 0.01 . 1 . . . A 4 PRO HG2 . 19505 1 30 . 1 1 4 4 PRO HG3 H 1 2.263 0.01 . 1 . . . A 4 PRO HG3 . 19505 1 31 . 1 1 4 4 PRO HD2 H 1 3.749 0.01 . 1 . . . A 4 PRO HD2 . 19505 1 32 . 1 1 4 4 PRO HD3 H 1 4.028 0.01 . 1 . . . A 4 PRO HD3 . 19505 1 33 . 1 1 5 5 GLY H H 1 8.946 0.02 . 1 . . . A 5 GLY H . 19505 1 34 . 1 1 5 5 GLY HA2 H 1 4.228 0.01 . 1 . . . A 5 GLY HA2 . 19505 1 35 . 1 1 5 5 GLY HA3 H 1 3.583 0.01 . 1 . . . A 5 GLY HA3 . 19505 1 36 . 1 1 6 6 TRP H H 1 7.628 0.02 . 1 . . . A 6 TRP H . 19505 1 37 . 1 1 6 6 TRP HA H 1 5.260 0.01 . 1 . . . A 6 TRP HA . 19505 1 38 . 1 1 6 6 TRP HB2 H 1 3.365 0.01 . 1 . . . A 6 TRP HB2 . 19505 1 39 . 1 1 6 6 TRP HB3 H 1 3.041 0.01 . 1 . . . A 6 TRP HB3 . 19505 1 40 . 1 1 6 6 TRP HD1 H 1 7.074 0.01 . 1 . . . A 6 TRP HD1 . 19505 1 41 . 1 1 6 6 TRP HE1 H 1 10.84 0.01 . 1 . . . A 6 TRP HE1 . 19505 1 42 . 1 1 6 6 TRP HE3 H 1 7.507 0.01 . 1 . . . A 6 TRP HE3 . 19505 1 43 . 1 1 6 6 TRP HZ2 H 1 7.614 0.01 . 1 . . . A 6 TRP HZ2 . 19505 1 44 . 1 1 6 6 TRP HZ3 H 1 7.047 0.01 . 1 . . . A 6 TRP HZ3 . 19505 1 45 . 1 1 6 6 TRP HH2 H 1 6.910 0.01 . 1 . . . A 6 TRP HH2 . 19505 1 46 . 1 1 7 7 GLU H H 1 9.730 0.02 . 1 . . . A 7 GLU H . 19505 1 47 . 1 1 7 7 GLU HA H 1 4.919 0.01 . 1 . . . A 7 GLU HA . 19505 1 48 . 1 1 7 7 GLU HB2 H 1 2.235 0.01 . 2 . . . A 7 GLU HB2 . 19505 1 49 . 1 1 7 7 GLU HB3 H 1 2.114 0.01 . 2 . . . A 7 GLU HB3 . 19505 1 50 . 1 1 7 7 GLU HG2 H 1 2.688 0.01 . 2 . . . A 7 GLU HG2 . 19505 1 51 . 1 1 7 7 GLU HG3 H 1 2.383 0.01 . 2 . . . A 7 GLU HG3 . 19505 1 52 . 1 1 8 8 LYS H H 1 9.146 0.02 . 1 . . . A 8 LYS H . 19505 1 53 . 1 1 8 8 LYS HA H 1 4.564 0.01 . 1 . . . A 8 LYS HA . 19505 1 54 . 1 1 8 8 LYS HB2 H 1 1.895 0.01 . 2 . . . A 8 LYS HB2 . 19505 1 55 . 1 1 8 8 LYS HB3 H 1 1.666 0.01 . 2 . . . A 8 LYS HB3 . 19505 1 56 . 1 1 8 8 LYS HG2 H 1 0.940 0.01 . 2 . . . A 8 LYS HG2 . 19505 1 57 . 1 1 8 8 LYS HG3 H 1 0.940 0.01 . 2 . . . A 8 LYS HG3 . 19505 1 58 . 1 1 9 9 ARG H H 1 8.859 0.02 . 1 . . . A 9 ARG H . 19505 1 59 . 1 1 9 9 ARG HA H 1 4.660 0.01 . 1 . . . A 9 ARG HA . 19505 1 60 . 1 1 9 9 ARG HB2 H 1 1.502 0.01 . 1 . . . A 9 ARG HB2 . 19505 1 61 . 1 1 9 9 ARG HB3 H 1 0.422 0.01 . 1 . . . A 9 ARG HB3 . 19505 1 62 . 1 1 9 9 ARG HG2 H 1 1.434 0.01 . 2 . . . A 9 ARG HG2 . 19505 1 63 . 1 1 9 9 ARG HG3 H 1 1.434 0.01 . 2 . . . A 9 ARG HG3 . 19505 1 64 . 1 1 9 9 ARG HD2 H 1 3.068 0.01 . 2 . . . A 9 ARG HD2 . 19505 1 65 . 1 1 9 9 ARG HD3 H 1 2.929 0.01 . 2 . . . A 9 ARG HD3 . 19505 1 66 . 1 1 9 9 ARG HE H 1 7.253 0.01 . 1 . . . A 9 ARG HE . 19505 1 67 . 1 1 9 9 ARG HH11 H 1 6.401 0.04 . 2 . . . A 9 ARG HH11 . 19505 1 68 . 1 1 9 9 ARG HH12 H 1 6.401 0.04 . 2 . . . A 9 ARG HH12 . 19505 1 69 . 1 1 10 10 CYS H H 1 8.591 0.02 . 1 . . . A 10 CYS H . 19505 1 70 . 1 1 10 10 CYS HA H 1 5.550 0.01 . 1 . . . A 10 CYS HA . 19505 1 71 . 1 1 10 10 CYS HB2 H 1 2.828 0.01 . 1 . . . A 10 CYS HB2 . 19505 1 72 . 1 1 10 10 CYS HB3 H 1 2.771 0.01 . 1 . . . A 10 CYS HB3 . 19505 1 73 . 1 1 11 11 PHE H H 1 8.846 0.02 . 1 . . . A 11 PHE H . 19505 1 74 . 1 1 11 11 PHE HA H 1 4.986 0.01 . 1 . . . A 11 PHE HA . 19505 1 75 . 1 1 11 11 PHE HB2 H 1 3.114 0.01 . 2 . . . A 11 PHE HB2 . 19505 1 76 . 1 1 11 11 PHE HB3 H 1 2.926 0.01 . 2 . . . A 11 PHE HB3 . 19505 1 77 . 1 1 11 11 PHE HD1 H 1 7.222 0.01 . 3 . . . A 11 PHE HD1 . 19505 1 78 . 1 1 11 11 PHE HD2 H 1 7.222 0.01 . 3 . . . A 11 PHE HD2 . 19505 1 79 . 1 1 11 11 PHE HE1 H 1 7.252 0.01 . 3 . . . A 11 PHE HE1 . 19505 1 80 . 1 1 11 11 PHE HE2 H 1 7.252 0.01 . 3 . . . A 11 PHE HE2 . 19505 1 81 . 1 1 11 11 PHE HZ H 1 7.340 0.01 . 1 . . . A 11 PHE HZ . 19505 1 82 . 1 1 12 12 TYR H H 1 9.388 0.02 . 1 . . . A 12 TYR H . 19505 1 83 . 1 1 12 12 TYR HA H 1 5.493 0.01 . 1 . . . A 12 TYR HA . 19505 1 84 . 1 1 12 12 TYR HB2 H 1 3.098 0.01 . 1 . . . A 12 TYR HB2 . 19505 1 85 . 1 1 12 12 TYR HB3 H 1 2.812 0.01 . 1 . . . A 12 TYR HB3 . 19505 1 86 . 1 1 12 12 TYR HD1 H 1 6.921 0.01 . 3 . . . A 12 TYR HD1 . 19505 1 87 . 1 1 12 12 TYR HD2 H 1 6.921 0.01 . 3 . . . A 12 TYR HD2 . 19505 1 88 . 1 1 12 12 TYR HE1 H 1 6.847 0.01 . 3 . . . A 12 TYR HE1 . 19505 1 89 . 1 1 12 12 TYR HE2 H 1 6.847 0.01 . 3 . . . A 12 TYR HE2 . 19505 1 90 . 1 1 13 13 PHE H H 1 9.655 0.02 . 1 . . . A 13 PHE H . 19505 1 91 . 1 1 13 13 PHE HA H 1 5.858 0.01 . 1 . . . A 13 PHE HA . 19505 1 92 . 1 1 13 13 PHE HB2 H 1 3.114 0.01 . 2 . . . A 13 PHE HB2 . 19505 1 93 . 1 1 13 13 PHE HB3 H 1 2.814 0.01 . 2 . . . A 13 PHE HB3 . 19505 1 94 . 1 1 13 13 PHE HD1 H 1 7.081 0.01 . 3 . . . A 13 PHE HD1 . 19505 1 95 . 1 1 13 13 PHE HD2 H 1 7.081 0.01 . 3 . . . A 13 PHE HD2 . 19505 1 96 . 1 1 13 13 PHE HE1 H 1 7.261 0.01 . 3 . . . A 13 PHE HE1 . 19505 1 97 . 1 1 13 13 PHE HE2 H 1 7.261 0.01 . 3 . . . A 13 PHE HE2 . 19505 1 98 . 1 1 13 13 PHE HZ H 1 7.373 0.01 . 1 . . . A 13 PHE HZ . 19505 1 99 . 1 1 14 14 ASN H H 1 8.431 0.02 . 1 . . . A 14 ASN H . 19505 1 100 . 1 1 14 14 ASN HA H 1 4.300 0.01 . 1 . . . A 14 ASN HA . 19505 1 101 . 1 1 14 14 ASN HB2 H 1 2.171 0.01 . 1 . . . A 14 ASN HB2 . 19505 1 102 . 1 1 14 14 ASN HB3 H 1 -0.52 0.01 . 1 . . . A 14 ASN HB3 . 19505 1 103 . 1 1 14 14 ASN HD21 H 1 4.287 0.01 . 1 . . . A 14 ASN HD21 . 19505 1 104 . 1 1 14 14 ASN HD22 H 1 6.760 0.01 . 1 . . . A 14 ASN HD22 . 19505 1 105 . 1 1 15 15 ARG H H 1 8.375 0.02 . 1 . . . A 15 ARG H . 19505 1 106 . 1 1 15 15 ARG HA H 1 3.870 0.01 . 1 . . . A 15 ARG HA . 19505 1 107 . 1 1 15 15 ARG HB2 H 1 1.904 0.01 . 2 . . . A 15 ARG HB2 . 19505 1 108 . 1 1 15 15 ARG HB3 H 1 1.799 0.01 . 2 . . . A 15 ARG HB3 . 19505 1 109 . 1 1 15 15 ARG HG2 H 1 1.756 0.01 . 2 . . . A 15 ARG HG2 . 19505 1 110 . 1 1 15 15 ARG HG3 H 1 1.603 0.01 . 2 . . . A 15 ARG HG3 . 19505 1 111 . 1 1 15 15 ARG HD2 H 1 3.317 0.01 . 2 . . . A 15 ARG HD2 . 19505 1 112 . 1 1 15 15 ARG HD3 H 1 3.264 0.01 . 2 . . . A 15 ARG HD3 . 19505 1 113 . 1 1 15 15 ARG HE H 1 7.499 0.01 . 1 . . . A 15 ARG HE . 19505 1 114 . 1 1 16 16 ILE H H 1 8.284 0.02 . 1 . . . A 16 ILE H . 19505 1 115 . 1 1 16 16 ILE HA H 1 3.890 0.01 . 1 . . . A 16 ILE HA . 19505 1 116 . 1 1 16 16 ILE HB H 1 2.124 0.01 . 1 . . . A 16 ILE HB . 19505 1 117 . 1 1 16 16 ILE HG12 H 1 1.526 0.01 . 1 . . . A 16 ILE HG12 . 19505 1 118 . 1 1 16 16 ILE HG13 H 1 1.156 0.01 . 1 . . . A 16 ILE HG13 . 19505 1 119 . 1 1 16 16 ILE HG21 H 1 0.874 0.01 . 1 . . . A 16 ILE HG21 . 19505 1 120 . 1 1 16 16 ILE HG22 H 1 0.874 0.01 . 1 . . . A 16 ILE HG22 . 19505 1 121 . 1 1 16 16 ILE HG23 H 1 0.874 0.01 . 1 . . . A 16 ILE HG23 . 19505 1 122 . 1 1 16 16 ILE HD11 H 1 0.837 0.01 . 1 . . . A 16 ILE HD11 . 19505 1 123 . 1 1 16 16 ILE HD12 H 1 0.837 0.01 . 1 . . . A 16 ILE HD12 . 19505 1 124 . 1 1 16 16 ILE HD13 H 1 0.837 0.01 . 1 . . . A 16 ILE HD13 . 19505 1 125 . 1 1 17 17 THR H H 1 7.680 0.02 . 1 . . . A 17 THR H . 19505 1 126 . 1 1 17 17 THR HA H 1 4.245 0.01 . 1 . . . A 17 THR HA . 19505 1 127 . 1 1 17 17 THR HB H 1 4.320 0.01 . 1 . . . A 17 THR HB . 19505 1 128 . 1 1 17 17 THR HG1 H 1 5.434 0.04 . 1 . . . A 17 THR HG1 . 19505 1 129 . 1 1 17 17 THR HG21 H 1 1.104 0.01 . 1 . . . A 17 THR HG21 . 19505 1 130 . 1 1 17 17 THR HG22 H 1 1.104 0.01 . 1 . . . A 17 THR HG22 . 19505 1 131 . 1 1 17 17 THR HG23 H 1 1.104 0.01 . 1 . . . A 17 THR HG23 . 19505 1 132 . 1 1 18 18 GLY H H 1 8.291 0.02 . 1 . . . A 18 GLY H . 19505 1 133 . 1 1 18 18 GLY HA2 H 1 4.147 0.01 . 1 . . . A 18 GLY HA2 . 19505 1 134 . 1 1 18 18 GLY HA3 H 1 3.671 0.01 . 1 . . . A 18 GLY HA3 . 19505 1 135 . 1 1 19 19 LYS H H 1 7.176 0.02 . 1 . . . A 19 LYS H . 19505 1 136 . 1 1 19 19 LYS HA H 1 4.315 0.01 . 1 . . . A 19 LYS HA . 19505 1 137 . 1 1 19 19 LYS HB2 H 1 1.847 0.01 . 2 . . . A 19 LYS HB2 . 19505 1 138 . 1 1 19 19 LYS HB3 H 1 1.624 0.01 . 2 . . . A 19 LYS HB3 . 19505 1 139 . 1 1 19 19 LYS HG2 H 1 1.533 0.01 . 2 . . . A 19 LYS HG2 . 19505 1 140 . 1 1 19 19 LYS HG3 H 1 1.524 0.01 . 2 . . . A 19 LYS HG3 . 19505 1 141 . 1 1 19 19 LYS HE2 H 1 3.172 0.01 . 2 . . . A 19 LYS HE2 . 19505 1 142 . 1 1 19 19 LYS HE3 H 1 3.172 0.01 . 2 . . . A 19 LYS HE3 . 19505 1 143 . 1 1 20 20 ARG H H 1 8.614 0.02 . 1 . . . A 20 ARG H . 19505 1 144 . 1 1 20 20 ARG HA H 1 6.088 0.01 . 1 . . . A 20 ARG HA . 19505 1 145 . 1 1 20 20 ARG HB2 H 1 1.933 0.01 . 2 . . . A 20 ARG HB2 . 19505 1 146 . 1 1 20 20 ARG HB3 H 1 1.846 0.01 . 2 . . . A 20 ARG HB3 . 19505 1 147 . 1 1 21 21 GLN H H 1 9.523 0.02 . 1 . . . A 21 GLN H . 19505 1 148 . 1 1 21 21 GLN HA H 1 5.026 0.01 . 1 . . . A 21 GLN HA . 19505 1 149 . 1 1 21 21 GLN HB2 H 1 2.621 0.01 . 1 . . . A 21 GLN HB2 . 19505 1 150 . 1 1 21 21 GLN HB3 H 1 2.311 0.01 . 1 . . . A 21 GLN HB3 . 19505 1 151 . 1 1 21 21 GLN HG2 H 1 2.624 0.01 . 1 . . . A 21 GLN HG2 . 19505 1 152 . 1 1 21 21 GLN HG3 H 1 2.304 0.01 . 1 . . . A 21 GLN HG3 . 19505 1 153 . 1 1 21 21 GLN HE21 H 1 7.405 0.01 . 1 . . . A 21 GLN HE21 . 19505 1 154 . 1 1 21 21 GLN HE22 H 1 6.889 0.01 . 1 . . . A 21 GLN HE22 . 19505 1 155 . 1 1 22 22 PHE H H 1 9.243 0.02 . 1 . . . A 22 PHE H . 19505 1 156 . 1 1 22 22 PHE HA H 1 4.929 0.01 . 1 . . . A 22 PHE HA . 19505 1 157 . 1 1 22 22 PHE HB2 H 1 3.528 0.01 . 2 . . . A 22 PHE HB2 . 19505 1 158 . 1 1 22 22 PHE HB3 H 1 3.131 0.01 . 2 . . . A 22 PHE HB3 . 19505 1 159 . 1 1 22 22 PHE HD1 H 1 7.690 0.01 . 3 . . . A 22 PHE HD1 . 19505 1 160 . 1 1 22 22 PHE HD2 H 1 7.690 0.01 . 3 . . . A 22 PHE HD2 . 19505 1 161 . 1 1 22 22 PHE HE1 H 1 7.338 0.01 . 3 . . . A 22 PHE HE1 . 19505 1 162 . 1 1 22 22 PHE HE2 H 1 7.338 0.01 . 3 . . . A 22 PHE HE2 . 19505 1 163 . 1 1 22 22 PHE HZ H 1 7.251 0.01 . 1 . . . A 22 PHE HZ . 19505 1 164 . 1 1 23 23 GLU H H 1 8.326 0.02 . 1 . . . A 23 GLU H . 19505 1 165 . 1 1 23 23 GLU HA H 1 4.502 0.01 . 1 . . . A 23 GLU HA . 19505 1 166 . 1 1 23 23 GLU HB2 H 1 2.019 0.01 . 2 . . . A 23 GLU HB2 . 19505 1 167 . 1 1 23 23 GLU HB3 H 1 2.019 0.01 . 2 . . . A 23 GLU HB3 . 19505 1 168 . 1 1 23 23 GLU HG2 H 1 2.516 0.01 . 2 . . . A 23 GLU HG2 . 19505 1 169 . 1 1 23 23 GLU HG3 H 1 2.516 0.01 . 2 . . . A 23 GLU HG3 . 19505 1 170 . 1 1 24 24 ARG H H 1 8.743 0.02 . 1 . . . A 24 ARG H . 19505 1 171 . 1 1 24 24 ARG HA H 1 2.809 0.01 . 1 . . . A 24 ARG HA . 19505 1 172 . 1 1 24 24 ARG HB3 H 1 1.495 0.01 . 1 . . . A 24 ARG HB3 . 19505 1 173 . 1 1 24 24 ARG HG2 H 1 1.315 0.01 . 2 . . . A 24 ARG HG2 . 19505 1 174 . 1 1 24 24 ARG HG3 H 1 1.057 0.01 . 2 . . . A 24 ARG HG3 . 19505 1 175 . 1 1 24 24 ARG HD2 H 1 3.119 0.01 . 2 . . . A 24 ARG HD2 . 19505 1 176 . 1 1 24 24 ARG HD3 H 1 3.119 0.01 . 2 . . . A 24 ARG HD3 . 19505 1 177 . 1 1 24 24 ARG HE H 1 7.344 0.01 . 1 . . . A 24 ARG HE . 19505 1 178 . 1 1 25 25 PRO HA H 1 4.013 0.01 . 1 . . . A 25 PRO HA . 19505 1 179 . 1 1 25 25 PRO HB2 H 1 0.929 0.01 . 1 . . . A 25 PRO HB2 . 19505 1 180 . 1 1 25 25 PRO HB3 H 1 0.800 0.01 . 1 . . . A 25 PRO HB3 . 19505 1 181 . 1 1 25 25 PRO HG2 H 1 0.662 0.01 . 1 . . . A 25 PRO HG2 . 19505 1 182 . 1 1 25 25 PRO HG3 H 1 0.044 0.01 . 1 . . . A 25 PRO HG3 . 19505 1 183 . 1 1 25 25 PRO HD2 H 1 2.337 0.01 . 1 . . . A 25 PRO HD2 . 19505 1 184 . 1 1 25 25 PRO HD3 H 1 2.520 0.01 . 1 . . . A 25 PRO HD3 . 19505 1 185 . 1 1 26 26 SER H H 1 8.389 0.02 . 1 . . . A 26 SER H . 19505 1 186 . 1 1 26 26 SER HA H 1 4.404 0.01 . 1 . . . A 26 SER HA . 19505 1 187 . 1 1 26 26 SER HB2 H 1 3.858 0.01 . 2 . . . A 26 SER HB2 . 19505 1 188 . 1 1 26 26 SER HB3 H 1 3.803 0.01 . 2 . . . A 26 SER HB3 . 19505 1 189 . 1 1 27 27 ASP H H 1 8.261 0.02 . 1 . . . A 27 ASP H . 19505 1 190 . 1 1 27 27 ASP HA H 1 4.532 0.01 . 1 . . . A 27 ASP HA . 19505 1 191 . 1 1 27 27 ASP HB2 H 1 2.905 0.01 . 2 . . . A 27 ASP HB2 . 19505 1 192 . 1 1 27 27 ASP HB3 H 1 2.905 0.01 . 2 . . . A 27 ASP HB3 . 19505 1 stop_ save_