################################### # 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36025 _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 $chem_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' 1 $sample_1 isotropic 36025 1 2 '2D 1H-1H COSY' 1 $sample_1 isotropic 36025 1 3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36025 1 4 '2D DQF-COSY' 1 $sample_1 isotropic 36025 1 5 '2D 1H-1H NOESY' 2 $sample_2 isotropic 36025 1 6 '2D 1H-1H TOCSY' 2 $sample_2 isotropic 36025 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 2 2 ILE HA H 1 3.888 0.05 . 1 . . . A 2 ILE HA . 36025 1 2 . 1 1 2 2 ILE HB H 1 1.893 0.05 . 1 . . . A 2 ILE HB . 36025 1 3 . 1 1 2 2 ILE HG12 H 1 1.077 0.05 . 2 . . . A 2 ILE HG12 . 36025 1 4 . 1 1 2 2 ILE HG13 H 1 1.077 0.05 . 2 . . . A 2 ILE HG13 . 36025 1 5 . 1 1 2 2 ILE HG21 H 1 0.767 0.05 . 1 . . . A 2 ILE HG21 . 36025 1 6 . 1 1 2 2 ILE HG22 H 1 0.767 0.05 . 1 . . . A 2 ILE HG22 . 36025 1 7 . 1 1 2 2 ILE HG23 H 1 0.767 0.05 . 1 . . . A 2 ILE HG23 . 36025 1 8 . 1 1 2 2 ILE HD11 H 1 1.336 0.05 . 1 . . . A 2 ILE HD11 . 36025 1 9 . 1 1 2 2 ILE HD12 H 1 1.336 0.05 . 1 . . . A 2 ILE HD12 . 36025 1 10 . 1 1 2 2 ILE HD13 H 1 1.336 0.05 . 1 . . . A 2 ILE HD13 . 36025 1 11 . 1 1 3 3 HIS H H 1 8.585 0.05 . 1 . . . A 3 HIS H . 36025 1 12 . 1 1 3 3 HIS HA H 1 4.434 0.05 . 1 . . . A 3 HIS HA . 36025 1 13 . 1 1 3 3 HIS HB2 H 1 3.156 0.05 . 2 . . . A 3 HIS HB2 . 36025 1 14 . 1 1 3 3 HIS HB3 H 1 3.156 0.05 . 2 . . . A 3 HIS HB3 . 36025 1 15 . 1 1 3 3 HIS HD2 H 1 7.214 0.05 . 1 . . . A 3 HIS HD2 . 36025 1 16 . 1 1 3 3 HIS HE1 H 1 8.578 0.05 . 1 . . . A 3 HIS HE1 . 36025 1 17 . 1 1 4 4 HIS H H 1 8.419 0.05 . 1 . . . A 4 HIS H . 36025 1 18 . 1 1 4 4 HIS HA H 1 4.630 0.05 . 1 . . . A 4 HIS HA . 36025 1 19 . 1 1 4 4 HIS HB2 H 1 3.254 0.05 . 2 . . . A 4 HIS HB2 . 36025 1 20 . 1 1 4 4 HIS HB3 H 1 3.254 0.05 . 2 . . . A 4 HIS HB3 . 36025 1 21 . 1 1 4 4 HIS HD2 H 1 7.248 0.05 . 1 . . . A 4 HIS HD2 . 36025 1 22 . 1 1 4 4 HIS HE1 H 1 8.598 0.05 . 1 . . . A 4 HIS HE1 . 36025 1 23 . 1 1 5 5 ILE H H 1 8.060 0.05 . 1 . . . A 5 ILE H . 36025 1 24 . 1 1 5 5 ILE HA H 1 3.907 0.05 . 1 . . . A 5 ILE HA . 36025 1 25 . 1 1 5 5 ILE HB H 1 1.940 0.05 . 1 . . . A 5 ILE HB . 36025 1 26 . 1 1 5 5 ILE HG12 H 1 1.115 0.05 . 2 . . . A 5 ILE HG12 . 36025 1 27 . 1 1 5 5 ILE HG13 H 1 1.115 0.05 . 2 . . . A 5 ILE HG13 . 36025 1 28 . 1 1 5 5 ILE HG21 H 1 0.821 0.05 . 1 . . . A 5 ILE HG21 . 36025 1 29 . 1 1 5 5 ILE HG22 H 1 0.821 0.05 . 1 . . . A 5 ILE HG22 . 36025 1 30 . 1 1 5 5 ILE HG23 H 1 0.821 0.05 . 1 . . . A 5 ILE HG23 . 36025 1 31 . 1 1 5 5 ILE HD11 H 1 1.456 0.05 . 1 . . . A 5 ILE HD11 . 36025 1 32 . 1 1 5 5 ILE HD12 H 1 1.456 0.05 . 1 . . . A 5 ILE HD12 . 36025 1 33 . 1 1 5 5 ILE HD13 H 1 1.456 0.05 . 1 . . . A 5 ILE HD13 . 36025 1 34 . 1 1 6 6 ILE H H 1 8.055 0.05 . 1 . . . A 6 ILE H . 36025 1 35 . 1 1 6 6 ILE HA H 1 3.731 0.05 . 1 . . . A 6 ILE HA . 36025 1 36 . 1 1 6 6 ILE HB H 1 1.906 0.05 . 1 . . . A 6 ILE HB . 36025 1 37 . 1 1 6 6 ILE HG12 H 1 1.221 0.05 . 2 . . . A 6 ILE HG12 . 36025 1 38 . 1 1 6 6 ILE HG13 H 1 1.221 0.05 . 2 . . . A 6 ILE HG13 . 36025 1 39 . 1 1 6 6 ILE HG21 H 1 0.815 0.05 . 1 . . . A 6 ILE HG21 . 36025 1 40 . 1 1 6 6 ILE HG22 H 1 0.815 0.05 . 1 . . . A 6 ILE HG22 . 36025 1 41 . 1 1 6 6 ILE HG23 H 1 0.815 0.05 . 1 . . . A 6 ILE HG23 . 36025 1 42 . 1 1 6 6 ILE HD11 H 1 1.554 0.05 . 1 . . . A 6 ILE HD11 . 36025 1 43 . 1 1 6 6 ILE HD12 H 1 1.554 0.05 . 1 . . . A 6 ILE HD12 . 36025 1 44 . 1 1 6 6 ILE HD13 H 1 1.554 0.05 . 1 . . . A 6 ILE HD13 . 36025 1 45 . 1 1 7 7 GLY H H 1 8.304 0.05 . 1 . . . A 7 GLY H . 36025 1 46 . 1 1 7 7 GLY HA2 H 1 3.838 0.05 . 2 . . . A 7 GLY HA2 . 36025 1 47 . 1 1 7 7 GLY HA3 H 1 3.907 0.05 . 2 . . . A 7 GLY HA3 . 36025 1 48 . 1 1 8 8 GLY H H 1 8.089 0.05 . 1 . . . A 8 GLY H . 36025 1 49 . 1 1 8 8 GLY HA2 H 1 3.721 0.05 . 2 . . . A 8 GLY HA2 . 36025 1 50 . 1 1 8 8 GLY HA3 H 1 4.015 0.05 . 2 . . . A 8 GLY HA3 . 36025 1 51 . 1 1 9 9 LEU H H 1 8.236 0.05 . 1 . . . A 9 LEU H . 36025 1 52 . 1 1 9 9 LEU HA H 1 4.044 0.05 . 1 . . . A 9 LEU HA . 36025 1 53 . 1 1 9 9 LEU HB2 H 1 1.885 0.05 . 2 . . . A 9 LEU HB2 . 36025 1 54 . 1 1 9 9 LEU HB3 H 1 1.885 0.05 . 2 . . . A 9 LEU HB3 . 36025 1 55 . 1 1 9 9 LEU HG H 1 1.496 0.05 . 1 . . . A 9 LEU HG . 36025 1 56 . 1 1 9 9 LEU HD11 H 1 0.780 0.05 . 2 . . . A 9 LEU HD11 . 36025 1 57 . 1 1 9 9 LEU HD12 H 1 0.780 0.05 . 2 . . . A 9 LEU HD12 . 36025 1 58 . 1 1 9 9 LEU HD13 H 1 0.780 0.05 . 2 . . . A 9 LEU HD13 . 36025 1 59 . 1 1 9 9 LEU HD21 H 1 0.780 0.05 . 2 . . . A 9 LEU HD21 . 36025 1 60 . 1 1 9 9 LEU HD22 H 1 0.780 0.05 . 2 . . . A 9 LEU HD22 . 36025 1 61 . 1 1 9 9 LEU HD23 H 1 0.780 0.05 . 2 . . . A 9 LEU HD23 . 36025 1 62 . 1 1 10 10 PHE H H 1 8.373 0.05 . 1 . . . A 10 PHE H . 36025 1 63 . 1 1 10 10 PHE HA H 1 4.317 0.05 . 1 . . . A 10 PHE HA . 36025 1 64 . 1 1 10 10 PHE HB2 H 1 3.234 0.05 . 2 . . . A 10 PHE HB2 . 36025 1 65 . 1 1 10 10 PHE HB3 H 1 3.234 0.05 . 2 . . . A 10 PHE HB3 . 36025 1 66 . 1 1 10 10 PHE HD1 H 1 7.287 0.05 . 3 . . . A 10 PHE HD1 . 36025 1 67 . 1 1 10 10 PHE HD2 H 1 7.287 0.05 . 3 . . . A 10 PHE HD2 . 36025 1 68 . 1 1 10 10 PHE HE1 H 1 7.190 0.05 . 3 . . . A 10 PHE HE1 . 36025 1 69 . 1 1 10 10 PHE HE2 H 1 7.190 0.05 . 3 . . . A 10 PHE HE2 . 36025 1 70 . 1 1 11 11 SER H H 1 8.241 0.05 . 1 . . . A 11 SER H . 36025 1 71 . 1 1 11 11 SER HA H 1 4.171 0.05 . 1 . . . A 11 SER HA . 36025 1 72 . 1 1 11 11 SER HB2 H 1 3.950 0.05 . 2 . . . A 11 SER HB2 . 36025 1 73 . 1 1 11 11 SER HB3 H 1 4.060 0.05 . 2 . . . A 11 SER HB3 . 36025 1 74 . 1 1 12 12 ALA H H 1 8.373 0.05 . 1 . . . A 12 ALA H . 36025 1 75 . 1 1 12 12 ALA HA H 1 4.122 0.05 . 1 . . . A 12 ALA HA . 36025 1 76 . 1 1 12 12 ALA HB1 H 1 1.466 0.05 . 1 . . . A 12 ALA HB1 . 36025 1 77 . 1 1 12 12 ALA HB2 H 1 1.466 0.05 . 1 . . . A 12 ALA HB2 . 36025 1 78 . 1 1 12 12 ALA HB3 H 1 1.466 0.05 . 1 . . . A 12 ALA HB3 . 36025 1 79 . 1 1 13 13 GLY H H 1 8.630 0.05 . 1 . . . A 13 GLY H . 36025 1 80 . 1 1 13 13 GLY HA2 H 1 3.640 0.05 . 2 . . . A 13 GLY HA2 . 36025 1 81 . 1 1 13 13 GLY HA3 H 1 3.700 0.05 . 2 . . . A 13 GLY HA3 . 36025 1 82 . 1 1 14 14 LYS H H 1 8.167 0.05 . 1 . . . A 14 LYS H . 36025 1 83 . 1 1 14 14 LYS HA H 1 3.995 0.05 . 1 . . . A 14 LYS HA . 36025 1 84 . 1 1 14 14 LYS HB2 H 1 1.846 0.05 . 2 . . . A 14 LYS HB2 . 36025 1 85 . 1 1 14 14 LYS HB3 H 1 1.846 0.05 . 2 . . . A 14 LYS HB3 . 36025 1 86 . 1 1 14 14 LYS HG2 H 1 1.506 0.05 . 2 . . . A 14 LYS HG2 . 36025 1 87 . 1 1 14 14 LYS HG3 H 1 1.370 0.05 . 2 . . . A 14 LYS HG3 . 36025 1 88 . 1 1 14 14 LYS HD2 H 1 1.632 0.05 . 2 . . . A 14 LYS HD2 . 36025 1 89 . 1 1 14 14 LYS HD3 H 1 1.632 0.05 . 2 . . . A 14 LYS HD3 . 36025 1 90 . 1 1 14 14 LYS HE2 H 1 2.785 0.05 . 2 . . . A 14 LYS HE2 . 36025 1 91 . 1 1 14 14 LYS HE3 H 1 2.853 0.05 . 2 . . . A 14 LYS HE3 . 36025 1 92 . 1 1 15 15 ALA H H 1 7.815 0.05 . 1 . . . A 15 ALA H . 36025 1 93 . 1 1 15 15 ALA HA H 1 4.112 0.05 . 1 . . . A 15 ALA HA . 36025 1 94 . 1 1 15 15 ALA HB1 H 1 1.534 0.05 . 1 . . . A 15 ALA HB1 . 36025 1 95 . 1 1 15 15 ALA HB2 H 1 1.534 0.05 . 1 . . . A 15 ALA HB2 . 36025 1 96 . 1 1 15 15 ALA HB3 H 1 1.534 0.05 . 1 . . . A 15 ALA HB3 . 36025 1 97 . 1 1 16 16 ILE H H 1 8.427 0.05 . 1 . . . A 16 ILE H . 36025 1 98 . 1 1 16 16 ILE HA H 1 3.663 0.05 . 1 . . . A 16 ILE HA . 36025 1 99 . 1 1 16 16 ILE HB H 1 1.953 0.05 . 1 . . . A 16 ILE HB . 36025 1 100 . 1 1 16 16 ILE HG12 H 1 1.065 0.05 . 2 . . . A 16 ILE HG12 . 36025 1 101 . 1 1 16 16 ILE HG13 H 1 1.065 0.05 . 2 . . . A 16 ILE HG13 . 36025 1 102 . 1 1 16 16 ILE HG21 H 1 0.880 0.05 . 1 . . . A 16 ILE HG21 . 36025 1 103 . 1 1 16 16 ILE HG22 H 1 0.880 0.05 . 1 . . . A 16 ILE HG22 . 36025 1 104 . 1 1 16 16 ILE HG23 H 1 0.880 0.05 . 1 . . . A 16 ILE HG23 . 36025 1 105 . 1 1 16 16 ILE HD11 H 1 0.782 0.05 . 1 . . . A 16 ILE HD11 . 36025 1 106 . 1 1 16 16 ILE HD12 H 1 0.782 0.05 . 1 . . . A 16 ILE HD12 . 36025 1 107 . 1 1 16 16 ILE HD13 H 1 0.782 0.05 . 1 . . . A 16 ILE HD13 . 36025 1 108 . 1 1 17 17 HIS H H 1 8.387 0.05 . 1 . . . A 17 HIS H . 36025 1 109 . 1 1 17 17 HIS HA H 1 4.191 0.05 . 1 . . . A 17 HIS HA . 36025 1 110 . 1 1 17 17 HIS HB2 H 1 3.233 0.05 . 2 . . . A 17 HIS HB2 . 36025 1 111 . 1 1 17 17 HIS HB3 H 1 3.467 0.05 . 2 . . . A 17 HIS HB3 . 36025 1 112 . 1 1 17 17 HIS HD2 H 1 7.160 0.05 . 1 . . . A 17 HIS HD2 . 36025 1 113 . 1 1 17 17 HIS HE1 H 1 8.642 0.05 . 1 . . . A 17 HIS HE1 . 36025 1 114 . 1 1 18 18 ARG H H 1 7.835 0.05 . 1 . . . A 18 ARG H . 36025 1 115 . 1 1 18 18 ARG HA H 1 3.897 0.05 . 1 . . . A 18 ARG HA . 36025 1 116 . 1 1 18 18 ARG HB2 H 1 1.808 0.05 . 2 . . . A 18 ARG HB2 . 36025 1 117 . 1 1 18 18 ARG HB3 H 1 1.934 0.05 . 2 . . . A 18 ARG HB3 . 36025 1 118 . 1 1 18 18 ARG HG2 H 1 1.563 0.05 . 2 . . . A 18 ARG HG2 . 36025 1 119 . 1 1 18 18 ARG HG3 H 1 1.563 0.05 . 2 . . . A 18 ARG HG3 . 36025 1 120 . 1 1 18 18 ARG HD2 H 1 3.195 0.05 . 2 . . . A 18 ARG HD2 . 36025 1 121 . 1 1 18 18 ARG HD3 H 1 3.195 0.05 . 2 . . . A 18 ARG HD3 . 36025 1 122 . 1 1 18 18 ARG HE H 1 7.434 0.05 . 1 . . . A 18 ARG HE . 36025 1 123 . 1 1 19 19 LEU H H 1 7.830 0.05 . 1 . . . A 19 LEU H . 36025 1 124 . 1 1 19 19 LEU HA H 1 4.044 0.05 . 1 . . . A 19 LEU HA . 36025 1 125 . 1 1 19 19 LEU HB2 H 1 1.850 0.05 . 2 . . . A 19 LEU HB2 . 36025 1 126 . 1 1 19 19 LEU HB3 H 1 1.850 0.05 . 2 . . . A 19 LEU HB3 . 36025 1 127 . 1 1 19 19 LEU HG H 1 1.700 0.05 . 1 . . . A 19 LEU HG . 36025 1 128 . 1 1 19 19 LEU HD11 H 1 0.870 0.05 . 2 . . . A 19 LEU HD11 . 36025 1 129 . 1 1 19 19 LEU HD12 H 1 0.870 0.05 . 2 . . . A 19 LEU HD12 . 36025 1 130 . 1 1 19 19 LEU HD13 H 1 0.870 0.05 . 2 . . . A 19 LEU HD13 . 36025 1 131 . 1 1 19 19 LEU HD21 H 1 0.870 0.05 . 2 . . . A 19 LEU HD21 . 36025 1 132 . 1 1 19 19 LEU HD22 H 1 0.870 0.05 . 2 . . . A 19 LEU HD22 . 36025 1 133 . 1 1 19 19 LEU HD23 H 1 0.870 0.05 . 2 . . . A 19 LEU HD23 . 36025 1 134 . 1 1 20 20 ILE H H 1 7.986 0.05 . 1 . . . A 20 ILE H . 36025 1 135 . 1 1 20 20 ILE HA H 1 3.751 0.05 . 1 . . . A 20 ILE HA . 36025 1 136 . 1 1 20 20 ILE HB H 1 1.944 0.05 . 1 . . . A 20 ILE HB . 36025 1 137 . 1 1 20 20 ILE HG12 H 1 1.202 0.05 . 2 . . . A 20 ILE HG12 . 36025 1 138 . 1 1 20 20 ILE HG13 H 1 1.202 0.05 . 2 . . . A 20 ILE HG13 . 36025 1 139 . 1 1 20 20 ILE HG21 H 1 0.899 0.05 . 1 . . . A 20 ILE HG21 . 36025 1 140 . 1 1 20 20 ILE HG22 H 1 0.899 0.05 . 1 . . . A 20 ILE HG22 . 36025 1 141 . 1 1 20 20 ILE HG23 H 1 0.899 0.05 . 1 . . . A 20 ILE HG23 . 36025 1 142 . 1 1 20 20 ILE HD11 H 1 0.801 0.05 . 1 . . . A 20 ILE HD11 . 36025 1 143 . 1 1 20 20 ILE HD12 H 1 0.801 0.05 . 1 . . . A 20 ILE HD12 . 36025 1 144 . 1 1 20 20 ILE HD13 H 1 0.801 0.05 . 1 . . . A 20 ILE HD13 . 36025 1 145 . 1 1 21 21 ARG H H 1 7.693 0.05 . 1 . . . A 21 ARG H . 36025 1 146 . 1 1 21 21 ARG HA H 1 4.122 0.05 . 1 . . . A 21 ARG HA . 36025 1 147 . 1 1 21 21 ARG HB2 H 1 1.729 0.05 . 2 . . . A 21 ARG HB2 . 36025 1 148 . 1 1 21 21 ARG HB3 H 1 1.827 0.05 . 2 . . . A 21 ARG HB3 . 36025 1 149 . 1 1 21 21 ARG HG2 H 1 1.563 0.05 . 2 . . . A 21 ARG HG2 . 36025 1 150 . 1 1 21 21 ARG HG3 H 1 1.563 0.05 . 2 . . . A 21 ARG HG3 . 36025 1 151 . 1 1 21 21 ARG HD2 H 1 3.067 0.05 . 2 . . . A 21 ARG HD2 . 36025 1 152 . 1 1 21 21 ARG HD3 H 1 3.067 0.05 . 2 . . . A 21 ARG HD3 . 36025 1 153 . 1 1 21 21 ARG HE H 1 7.290 0.05 . 1 . . . A 21 ARG HE . 36025 1 154 . 1 1 22 22 ARG H H 1 7.743 0.05 . 1 . . . A 22 ARG H . 36025 1 155 . 1 1 22 22 ARG HA H 1 4.200 0.05 . 1 . . . A 22 ARG HA . 36025 1 156 . 1 1 22 22 ARG HB2 H 1 1.895 0.05 . 2 . . . A 22 ARG HB2 . 36025 1 157 . 1 1 22 22 ARG HB3 H 1 1.895 0.05 . 2 . . . A 22 ARG HB3 . 36025 1 158 . 1 1 22 22 ARG HG2 H 1 1.700 0.05 . 2 . . . A 22 ARG HG2 . 36025 1 159 . 1 1 22 22 ARG HG3 H 1 1.700 0.05 . 2 . . . A 22 ARG HG3 . 36025 1 160 . 1 1 22 22 ARG HD2 H 1 3.155 0.05 . 2 . . . A 22 ARG HD2 . 36025 1 161 . 1 1 22 22 ARG HD3 H 1 3.155 0.05 . 2 . . . A 22 ARG HD3 . 36025 1 162 . 1 1 22 22 ARG HE H 1 7.368 0.05 . 1 . . . A 22 ARG HE . 36025 1 163 . 1 1 23 23 ARG H H 1 7.827 0.05 . 1 . . . A 23 ARG H . 36025 1 164 . 1 1 23 23 ARG HA H 1 4.249 0.05 . 1 . . . A 23 ARG HA . 36025 1 165 . 1 1 23 23 ARG HB2 H 1 1.798 0.05 . 2 . . . A 23 ARG HB2 . 36025 1 166 . 1 1 23 23 ARG HB3 H 1 1.915 0.05 . 2 . . . A 23 ARG HB3 . 36025 1 167 . 1 1 23 23 ARG HG2 H 1 1.660 0.05 . 2 . . . A 23 ARG HG2 . 36025 1 168 . 1 1 23 23 ARG HG3 H 1 1.660 0.05 . 2 . . . A 23 ARG HG3 . 36025 1 169 . 1 1 23 23 ARG HD2 H 1 3.146 0.05 . 2 . . . A 23 ARG HD2 . 36025 1 170 . 1 1 23 23 ARG HD3 H 1 3.146 0.05 . 2 . . . A 23 ARG HD3 . 36025 1 171 . 1 1 23 23 ARG HE H 1 7.502 0.05 . 1 . . . A 23 ARG HE . 36025 1 172 . 1 1 24 24 ARG H H 1 8.030 0.05 . 1 . . . A 24 ARG H . 36025 1 173 . 1 1 24 24 ARG HA H 1 4.308 0.05 . 1 . . . A 24 ARG HA . 36025 1 174 . 1 1 24 24 ARG HB2 H 1 1.749 0.05 . 2 . . . A 24 ARG HB2 . 36025 1 175 . 1 1 24 24 ARG HB3 H 1 1.885 0.05 . 2 . . . A 24 ARG HB3 . 36025 1 176 . 1 1 24 24 ARG HG2 H 1 1.641 0.05 . 2 . . . A 24 ARG HG2 . 36025 1 177 . 1 1 24 24 ARG HG3 H 1 1.641 0.05 . 2 . . . A 24 ARG HG3 . 36025 1 178 . 1 1 24 24 ARG HD2 H 1 3.146 0.05 . 2 . . . A 24 ARG HD2 . 36025 1 179 . 1 1 24 24 ARG HD3 H 1 3.146 0.05 . 2 . . . A 24 ARG HD3 . 36025 1 180 . 1 1 24 24 ARG HE H 1 7.331 0.05 . 1 . . . A 24 ARG HE . 36025 1 181 . 1 1 25 25 ARG H H 1 7.893 0.05 . 1 . . . A 25 ARG H . 36025 1 182 . 1 1 25 25 ARG HA H 1 4.152 0.05 . 1 . . . A 25 ARG HA . 36025 1 183 . 1 1 25 25 ARG HB2 H 1 1.719 0.05 . 2 . . . A 25 ARG HB2 . 36025 1 184 . 1 1 25 25 ARG HB3 H 1 1.837 0.05 . 2 . . . A 25 ARG HB3 . 36025 1 185 . 1 1 25 25 ARG HG2 H 1 1.593 0.05 . 2 . . . A 25 ARG HG2 . 36025 1 186 . 1 1 25 25 ARG HG3 H 1 1.593 0.05 . 2 . . . A 25 ARG HG3 . 36025 1 187 . 1 1 25 25 ARG HD2 H 1 3.155 0.05 . 2 . . . A 25 ARG HD2 . 36025 1 188 . 1 1 25 25 ARG HD3 H 1 3.155 0.05 . 2 . . . A 25 ARG HD3 . 36025 1 189 . 1 1 25 25 ARG HE H 1 7.214 0.05 . 1 . . . A 25 ARG HE . 36025 1 stop_ save_