################################### # 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 26035 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _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 26035 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 26035 1 5 '2D 1H-13C HSQC aliphatic' 2 $sample_2 isotropic 26035 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 26035 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 4.14 0.02 . 1 . . . A 1 LYS HA . 26035 1 2 . 1 1 1 1 LYS CA C 13 55.7 0.1 . 1 . . . A 1 LYS CA . 26035 1 3 . 1 1 2 2 LYS HA H 1 4.50 0.02 . 1 . . . A 2 LYS HA . 26035 1 4 . 1 1 2 2 LYS HB2 H 1 1.85 0.02 . 2 . . . A 2 LYS HB2 . 26035 1 5 . 1 1 2 2 LYS HB3 H 1 1.94 0.02 . 2 . . . A 2 LYS HB3 . 26035 1 6 . 1 1 2 2 LYS CA C 13 56.5 0.1 . 1 . . . A 2 LYS CA . 26035 1 7 . 1 1 2 2 LYS CB C 13 33.2 0.1 . 1 . . . A 2 LYS CB . 26035 1 8 . 1 1 3 3 LYS H H 1 8.46 0.02 . 1 . . . A 3 LYS H . 26035 1 9 . 1 1 3 3 LYS HA H 1 4.40 0.02 . 1 . . . A 3 LYS HA . 26035 1 10 . 1 1 3 3 LYS HB2 H 1 1.87 0.02 . 2 . . . A 3 LYS HB2 . 26035 1 11 . 1 1 3 3 LYS HB3 H 1 1.94 0.02 . 2 . . . A 3 LYS HB3 . 26035 1 12 . 1 1 3 3 LYS HG2 H 1 1.57 0.02 . 2 . . . A 3 LYS HG2 . 26035 1 13 . 1 1 3 3 LYS HG3 H 1 1.57 0.02 . 2 . . . A 3 LYS HG3 . 26035 1 14 . 1 1 3 3 LYS HD2 H 1 1.81 0.02 . 2 . . . A 3 LYS HD2 . 26035 1 15 . 1 1 3 3 LYS HD3 H 1 1.81 0.02 . 2 . . . A 3 LYS HD3 . 26035 1 16 . 1 1 3 3 LYS CA C 13 56.6 0.1 . 1 . . . A 3 LYS CA . 26035 1 17 . 1 1 3 3 LYS CB C 13 33.5 0.1 . 1 . . . A 3 LYS CB . 26035 1 18 . 1 1 4 4 LYS H H 1 8.31 0.02 . 1 . . . A 4 LYS H . 26035 1 19 . 1 1 4 4 LYS HA H 1 4.37 0.02 . 1 . . . A 4 LYS HA . 26035 1 20 . 1 1 4 4 LYS HB2 H 1 1.84 0.02 . 2 . . . A 4 LYS HB2 . 26035 1 21 . 1 1 4 4 LYS HB3 H 1 1.92 0.02 . 2 . . . A 4 LYS HB3 . 26035 1 22 . 1 1 4 4 LYS HG2 H 1 1.51 0.02 . 2 . . . A 4 LYS HG2 . 26035 1 23 . 1 1 4 4 LYS HG3 H 1 1.56 0.02 . 2 . . . A 4 LYS HG3 . 26035 1 24 . 1 1 4 4 LYS CA C 13 56.6 0.1 . 1 . . . A 4 LYS CA . 26035 1 25 . 1 1 4 4 LYS CB C 13 33.0 0.1 . 1 . . . A 4 LYS CB . 26035 1 26 . 1 1 5 5 ASP H H 1 8.16 0.02 . 1 . . . A 5 ASP H . 26035 1 27 . 1 1 5 5 ASP HA H 1 4.70 0.02 . 1 . . . A 5 ASP HA . 26035 1 28 . 1 1 5 5 ASP HB2 H 1 2.70 0.02 . 2 . . . A 5 ASP HB2 . 26035 1 29 . 1 1 5 5 ASP HB3 H 1 2.73 0.02 . 2 . . . A 5 ASP HB3 . 26035 1 30 . 1 1 5 5 ASP CA C 13 54.2 0.1 . 1 . . . A 5 ASP CA . 26035 1 31 . 1 1 5 5 ASP CB C 13 41.6 0.1 . 1 . . . A 5 ASP CB . 26035 1 32 . 1 1 6 6 LYS H H 1 8.33 0.02 . 1 . . . A 6 LYS H . 26035 1 33 . 1 1 6 6 LYS HA H 1 4.20 0.02 . 1 . . . A 6 LYS HA . 26035 1 34 . 1 1 6 6 LYS HB2 H 1 1.79 0.02 . 2 . . . A 6 LYS HB2 . 26035 1 35 . 1 1 6 6 LYS HB3 H 1 1.79 0.02 . 2 . . . A 6 LYS HB3 . 26035 1 36 . 1 1 6 6 LYS HG2 H 1 1.32 0.02 . 2 . . . A 6 LYS HG2 . 26035 1 37 . 1 1 6 6 LYS HG3 H 1 1.32 0.02 . 2 . . . A 6 LYS HG3 . 26035 1 38 . 1 1 6 6 LYS HD2 H 1 1.67 0.02 . 2 . . . A 6 LYS HD2 . 26035 1 39 . 1 1 6 6 LYS HD3 H 1 1.67 0.02 . 2 . . . A 6 LYS HD3 . 26035 1 40 . 1 1 6 6 LYS HE2 H 1 2.93 0.02 . 2 . . . A 6 LYS HE2 . 26035 1 41 . 1 1 6 6 LYS HE3 H 1 2.93 0.02 . 2 . . . A 6 LYS HE3 . 26035 1 42 . 1 1 6 6 LYS CA C 13 57.9 0.1 . 1 . . . A 6 LYS CA . 26035 1 43 . 1 1 6 6 LYS CB C 13 32.5 0.1 . 1 . . . A 6 LYS CB . 26035 1 44 . 1 1 6 6 LYS CG C 13 24.4 0.1 . 1 . . . A 6 LYS CG . 26035 1 45 . 1 1 6 6 LYS CE C 13 41.9 0.1 . 1 . . . A 6 LYS CE . 26035 1 46 . 1 1 7 7 TRP H H 1 7.88 0.02 . 1 . . . A 7 TRP H . 26035 1 47 . 1 1 7 7 TRP HA H 1 4.63 0.02 . 1 . . . A 7 TRP HA . 26035 1 48 . 1 1 7 7 TRP HB2 H 1 3.36 0.02 . 2 . . . A 7 TRP HB2 . 26035 1 49 . 1 1 7 7 TRP HB3 H 1 3.42 0.02 . 2 . . . A 7 TRP HB3 . 26035 1 50 . 1 1 7 7 TRP HD1 H 1 7.30 0.02 . 1 . . . A 7 TRP HD1 . 26035 1 51 . 1 1 7 7 TRP HE1 H 1 9.72 0.02 . 1 . . . A 7 TRP HE1 . 26035 1 52 . 1 1 7 7 TRP HE3 H 1 7.67 0.02 . 1 . . . A 7 TRP HE3 . 26035 1 53 . 1 1 7 7 TRP HZ2 H 1 7.48 0.02 . 1 . . . A 7 TRP HZ2 . 26035 1 54 . 1 1 7 7 TRP HZ3 H 1 7.19 0.02 . 1 . . . A 7 TRP HZ3 . 26035 1 55 . 1 1 7 7 TRP HH2 H 1 7.27 0.02 . 1 . . . A 7 TRP HH2 . 26035 1 56 . 1 1 7 7 TRP CA C 13 58.3 0.1 . 1 . . . A 7 TRP CA . 26035 1 57 . 1 1 7 7 TRP CB C 13 29.0 0.1 . 1 . . . A 7 TRP CB . 26035 1 58 . 1 1 8 8 ALA H H 1 7.82 0.02 . 1 . . . A 8 ALA H . 26035 1 59 . 1 1 8 8 ALA HA H 1 4.23 0.02 . 1 . . . A 8 ALA HA . 26035 1 60 . 1 1 8 8 ALA HB1 H 1 1.46 0.02 . 1 . . . A 8 ALA HB1 . 26035 1 61 . 1 1 8 8 ALA HB2 H 1 1.46 0.02 . 1 . . . A 8 ALA HB2 . 26035 1 62 . 1 1 8 8 ALA HB3 H 1 1.46 0.02 . 1 . . . A 8 ALA HB3 . 26035 1 63 . 1 1 8 8 ALA CA C 13 53.8 0.1 . 1 . . . A 8 ALA CA . 26035 1 64 . 1 1 8 8 ALA CB C 13 18.5 0.1 . 1 . . . A 8 ALA CB . 26035 1 65 . 1 1 9 9 SER H H 1 7.93 0.02 . 1 . . . A 9 SER H . 26035 1 66 . 1 1 9 9 SER HA H 1 4.43 0.02 . 1 . . . A 9 SER HA . 26035 1 67 . 1 1 9 9 SER HB2 H 1 3.93 0.02 . 2 . . . A 9 SER HB2 . 26035 1 68 . 1 1 9 9 SER HB3 H 1 3.99 0.02 . 2 . . . A 9 SER HB3 . 26035 1 69 . 1 1 9 9 SER CA C 13 59.8 0.1 . 1 . . . A 9 SER CA . 26035 1 70 . 1 1 9 9 SER CB C 13 63.5 0.1 . 1 . . . A 9 SER CB . 26035 1 71 . 1 1 10 10 LEU H H 1 7.76 0.02 . 1 . . . A 10 LEU H . 26035 1 72 . 1 1 10 10 LEU HA H 1 4.29 0.02 . 1 . . . A 10 LEU HA . 26035 1 73 . 1 1 10 10 LEU HB2 H 1 1.58 0.02 . 2 . . . A 10 LEU HB2 . 26035 1 74 . 1 1 10 10 LEU HB3 H 1 1.65 0.02 . 2 . . . A 10 LEU HB3 . 26035 1 75 . 1 1 10 10 LEU HG H 1 1.59 0.02 . 1 . . . A 10 LEU HG . 26035 1 76 . 1 1 10 10 LEU HD11 H 1 0.83 0.02 . 2 . . . A 10 LEU HD11 . 26035 1 77 . 1 1 10 10 LEU HD12 H 1 0.83 0.02 . 2 . . . A 10 LEU HD12 . 26035 1 78 . 1 1 10 10 LEU HD13 H 1 0.83 0.02 . 2 . . . A 10 LEU HD13 . 26035 1 79 . 1 1 10 10 LEU HD21 H 1 0.90 0.02 . 2 . . . A 10 LEU HD21 . 26035 1 80 . 1 1 10 10 LEU HD22 H 1 0.90 0.02 . 2 . . . A 10 LEU HD22 . 26035 1 81 . 1 1 10 10 LEU HD23 H 1 0.90 0.02 . 2 . . . A 10 LEU HD23 . 26035 1 82 . 1 1 10 10 LEU CA C 13 57.1 0.1 . 1 . . . A 10 LEU CA . 26035 1 83 . 1 1 10 10 LEU CB C 13 42.2 0.1 . 1 . . . A 10 LEU CB . 26035 1 84 . 1 1 10 10 LEU CG C 13 26.9 0.1 . 1 . . . A 10 LEU CG . 26035 1 85 . 1 1 10 10 LEU CD1 C 13 23.1 0.1 . 1 . . . A 10 LEU CD1 . 26035 1 86 . 1 1 10 10 LEU CD2 C 13 22.3 0.1 . 1 . . . A 10 LEU CD2 . 26035 1 87 . 1 1 11 11 TRP H H 1 7.78 0.02 . 1 . . . A 11 TRP H . 26035 1 88 . 1 1 11 11 TRP HA H 1 4.61 0.02 . 1 . . . A 11 TRP HA . 26035 1 89 . 1 1 11 11 TRP HB2 H 1 3.21 0.02 . 2 . . . A 11 TRP HB2 . 26035 1 90 . 1 1 11 11 TRP HB3 H 1 3.33 0.02 . 2 . . . A 11 TRP HB3 . 26035 1 91 . 1 1 11 11 TRP HD1 H 1 7.10 0.02 . 1 . . . A 11 TRP HD1 . 26035 1 92 . 1 1 11 11 TRP HE1 H 1 9.12 0.02 . 1 . . . A 11 TRP HE1 . 26035 1 93 . 1 1 11 11 TRP HE3 H 1 7.61 0.02 . 1 . . . A 11 TRP HE3 . 26035 1 94 . 1 1 11 11 TRP HZ2 H 1 7.42 0.02 . 1 . . . A 11 TRP HZ2 . 26035 1 95 . 1 1 11 11 TRP HZ3 H 1 7.09 0.02 . 1 . . . A 11 TRP HZ3 . 26035 1 96 . 1 1 11 11 TRP HH2 H 1 7.21 0.02 . 1 . . . A 11 TRP HH2 . 26035 1 97 . 1 1 11 11 TRP CA C 13 58.5 0.1 . 1 . . . A 11 TRP CA . 26035 1 98 . 1 1 11 11 TRP CB C 13 29.0 0.1 . 1 . . . A 11 TRP CB . 26035 1 99 . 1 1 12 12 ASN H H 1 8.04 0.02 . 1 . . . A 12 ASN H . 26035 1 100 . 1 1 12 12 ASN HA H 1 4.63 0.02 . 1 . . . A 12 ASN HA . 26035 1 101 . 1 1 12 12 ASN HB2 H 1 2.76 0.02 . 2 . . . A 12 ASN HB2 . 26035 1 102 . 1 1 12 12 ASN HB3 H 1 2.83 0.02 . 2 . . . A 12 ASN HB3 . 26035 1 103 . 1 1 12 12 ASN HD21 H 1 7.29 0.02 . 2 . . . A 12 ASN HD21 . 26035 1 104 . 1 1 12 12 ASN HD22 H 1 6.57 0.02 . 2 . . . A 12 ASN HD22 . 26035 1 105 . 1 1 12 12 ASN CA C 13 55.8 0.1 . 1 . . . A 12 ASN CA . 26035 1 106 . 1 1 12 12 ASN CB C 13 38.7 0.1 . 1 . . . A 12 ASN CB . 26035 1 107 . 1 1 13 13 TRP H H 1 7.87 0.02 . 1 . . . A 13 TRP H . 26035 1 108 . 1 1 13 13 TRP HA H 1 4.46 0.02 . 1 . . . A 13 TRP HA . 26035 1 109 . 1 1 13 13 TRP HB2 H 1 3.35 0.02 . 2 . . . A 13 TRP HB2 . 26035 1 110 . 1 1 13 13 TRP HB3 H 1 3.40 0.02 . 2 . . . A 13 TRP HB3 . 26035 1 111 . 1 1 13 13 TRP HD1 H 1 7.07 0.02 . 1 . . . A 13 TRP HD1 . 26035 1 112 . 1 1 13 13 TRP HE1 H 1 9.21 0.02 . 1 . . . A 13 TRP HE1 . 26035 1 113 . 1 1 13 13 TRP HE3 H 1 7.52 0.02 . 1 . . . A 13 TRP HE3 . 26035 1 114 . 1 1 13 13 TRP HZ2 H 1 7.43 0.02 . 1 . . . A 13 TRP HZ2 . 26035 1 115 . 1 1 13 13 TRP HZ3 H 1 7.13 0.02 . 1 . . . A 13 TRP HZ3 . 26035 1 116 . 1 1 13 13 TRP HH2 H 1 7.24 0.02 . 1 . . . A 13 TRP HH2 . 26035 1 117 . 1 1 13 13 TRP CA C 13 59.8 0.1 . 1 . . . A 13 TRP CA . 26035 1 118 . 1 1 13 13 TRP CB C 13 28.8 0.1 . 1 . . . A 13 TRP CB . 26035 1 119 . 1 1 14 14 PHE H H 1 8.12 0.02 . 1 . . . A 14 PHE H . 26035 1 120 . 1 1 14 14 PHE HA H 1 4.14 0.02 . 1 . . . A 14 PHE HA . 26035 1 121 . 1 1 14 14 PHE HB2 H 1 3.03 0.02 . 2 . . . A 14 PHE HB2 . 26035 1 122 . 1 1 14 14 PHE HB3 H 1 3.11 0.02 . 2 . . . A 14 PHE HB3 . 26035 1 123 . 1 1 14 14 PHE HD1 H 1 7.19 0.02 . 3 . . . A 14 PHE HD1 . 26035 1 124 . 1 1 14 14 PHE HD2 H 1 7.19 0.02 . 3 . . . A 14 PHE HD2 . 26035 1 125 . 1 1 14 14 PHE HE1 H 1 7.33 0.02 . 3 . . . A 14 PHE HE1 . 26035 1 126 . 1 1 14 14 PHE HE2 H 1 7.33 0.02 . 3 . . . A 14 PHE HE2 . 26035 1 127 . 1 1 14 14 PHE HZ H 1 7.04 0.02 . 1 . . . A 14 PHE HZ . 26035 1 128 . 1 1 14 14 PHE CA C 13 60.1 0.1 . 1 . . . A 14 PHE CA . 26035 1 129 . 1 1 14 14 PHE CB C 13 38.7 0.1 . 1 . . . A 14 PHE CB . 26035 1 130 . 1 1 15 15 ASP H H 1 8.10 0.02 . 1 . . . A 15 ASP H . 26035 1 131 . 1 1 15 15 ASP HA H 1 4.52 0.02 . 1 . . . A 15 ASP HA . 26035 1 132 . 1 1 15 15 ASP HB2 H 1 2.80 0.02 . 2 . . . A 15 ASP HB2 . 26035 1 133 . 1 1 15 15 ASP HB3 H 1 2.86 0.02 . 2 . . . A 15 ASP HB3 . 26035 1 134 . 1 1 15 15 ASP CA C 13 55.7 0.1 . 1 . . . A 15 ASP CA . 26035 1 135 . 1 1 15 15 ASP CB C 13 39.0 0.1 . 1 . . . A 15 ASP CB . 26035 1 136 . 1 1 16 16 ILE H H 1 8.02 0.02 . 1 . . . A 16 ILE H . 26035 1 137 . 1 1 16 16 ILE HA H 1 3.98 0.02 . 1 . . . A 16 ILE HA . 26035 1 138 . 1 1 16 16 ILE HB H 1 1.93 0.02 . 1 . . . A 16 ILE HB . 26035 1 139 . 1 1 16 16 ILE HG12 H 1 1.68 0.02 . 2 . . . A 16 ILE HG12 . 26035 1 140 . 1 1 16 16 ILE HG13 H 1 1.30 0.02 . 2 . . . A 16 ILE HG13 . 26035 1 141 . 1 1 16 16 ILE HG21 H 1 1.03 0.02 . 1 . . . A 16 ILE HG21 . 26035 1 142 . 1 1 16 16 ILE HG22 H 1 1.03 0.02 . 1 . . . A 16 ILE HG22 . 26035 1 143 . 1 1 16 16 ILE HG23 H 1 1.03 0.02 . 1 . . . A 16 ILE HG23 . 26035 1 144 . 1 1 16 16 ILE HD11 H 1 0.91 0.02 . 1 . . . A 16 ILE HD11 . 26035 1 145 . 1 1 16 16 ILE HD12 H 1 0.91 0.02 . 1 . . . A 16 ILE HD12 . 26035 1 146 . 1 1 16 16 ILE HD13 H 1 0.91 0.02 . 1 . . . A 16 ILE HD13 . 26035 1 147 . 1 1 16 16 ILE CA C 13 64.4 0.1 . 1 . . . A 16 ILE CA . 26035 1 148 . 1 1 16 16 ILE CB C 13 38.5 0.1 . 1 . . . A 16 ILE CB . 26035 1 149 . 1 1 16 16 ILE CG2 C 13 16.8 0.1 . 1 . . . A 16 ILE CG2 . 26035 1 150 . 1 1 16 16 ILE CD1 C 13 12.5 0.1 . 1 . . . A 16 ILE CD1 . 26035 1 151 . 1 1 17 17 THR H H 1 7.99 0.02 . 1 . . . A 17 THR H . 26035 1 152 . 1 1 17 17 THR HA H 1 3.98 0.02 . 1 . . . A 17 THR HA . 26035 1 153 . 1 1 17 17 THR HB H 1 4.10 0.02 . 1 . . . A 17 THR HB . 26035 1 154 . 1 1 17 17 THR HG21 H 1 1.06 0.02 . 1 . . . A 17 THR HG21 . 26035 1 155 . 1 1 17 17 THR HG22 H 1 1.06 0.02 . 1 . . . A 17 THR HG22 . 26035 1 156 . 1 1 17 17 THR HG23 H 1 1.06 0.02 . 1 . . . A 17 THR HG23 . 26035 1 157 . 1 1 17 17 THR CA C 13 65.6 0.1 . 1 . . . A 17 THR CA . 26035 1 158 . 1 1 17 17 THR CB C 13 69.0 0.1 . 1 . . . A 17 THR CB . 26035 1 159 . 1 1 17 17 THR CG2 C 13 20.8 0.1 . 1 . . . A 17 THR CG2 . 26035 1 160 . 1 1 18 18 ASN H H 1 7.86 0.02 . 1 . . . A 18 ASN H . 26035 1 161 . 1 1 18 18 ASN HA H 1 4.62 0.02 . 1 . . . A 18 ASN HA . 26035 1 162 . 1 1 18 18 ASN HB2 H 1 2.68 0.02 . 2 . . . A 18 ASN HB2 . 26035 1 163 . 1 1 18 18 ASN HB3 H 1 2.81 0.02 . 2 . . . A 18 ASN HB3 . 26035 1 164 . 1 1 18 18 ASN HD21 H 1 7.05 0.02 . 2 . . . A 18 ASN HD21 . 26035 1 165 . 1 1 18 18 ASN HD22 H 1 5.92 0.02 . 2 . . . A 18 ASN HD22 . 26035 1 166 . 1 1 18 18 ASN CA C 13 54.9 0.1 . 1 . . . A 18 ASN CA . 26035 1 167 . 1 1 18 18 ASN CB C 13 38.7 0.1 . 1 . . . A 18 ASN CB . 26035 1 168 . 1 1 19 19 TRP H H 1 8.04 0.02 . 1 . . . A 19 TRP H . 26035 1 169 . 1 1 19 19 TRP HA H 1 4.72 0.02 . 1 . . . A 19 TRP HA . 26035 1 170 . 1 1 19 19 TRP HB2 H 1 3.42 0.02 . 2 . . . A 19 TRP HB2 . 26035 1 171 . 1 1 19 19 TRP HB3 H 1 3.55 0.02 . 2 . . . A 19 TRP HB3 . 26035 1 172 . 1 1 19 19 TRP HD1 H 1 7.22 0.02 . 1 . . . A 19 TRP HD1 . 26035 1 173 . 1 1 19 19 TRP HE1 H 1 9.18 0.02 . 1 . . . A 19 TRP HE1 . 26035 1 174 . 1 1 19 19 TRP HE3 H 1 7.62 0.02 . 1 . . . A 19 TRP HE3 . 26035 1 175 . 1 1 19 19 TRP HZ2 H 1 7.39 0.02 . 1 . . . A 19 TRP HZ2 . 26035 1 176 . 1 1 19 19 TRP HZ3 H 1 7.06 0.02 . 1 . . . A 19 TRP HZ3 . 26035 1 177 . 1 1 19 19 TRP HH2 H 1 7.20 0.02 . 1 . . . A 19 TRP HH2 . 26035 1 178 . 1 1 19 19 TRP CA C 13 59.8 0.1 . 1 . . . A 19 TRP CA . 26035 1 179 . 1 1 19 19 TRP CB C 13 29.2 0.1 . 1 . . . A 19 TRP CB . 26035 1 180 . 1 1 20 20 LEU H H 1 8.20 0.02 . 1 . . . A 20 LEU H . 26035 1 181 . 1 1 20 20 LEU HA H 1 4.05 0.02 . 1 . . . A 20 LEU HA . 26035 1 182 . 1 1 20 20 LEU HB2 H 1 1.50 0.02 . 2 . . . A 20 LEU HB2 . 26035 1 183 . 1 1 20 20 LEU HB3 H 1 1.86 0.02 . 2 . . . A 20 LEU HB3 . 26035 1 184 . 1 1 20 20 LEU HG H 1 1.84 0.02 . 1 . . . A 20 LEU HG . 26035 1 185 . 1 1 20 20 LEU HD11 H 1 0.90 0.02 . 2 . . . A 20 LEU HD11 . 26035 1 186 . 1 1 20 20 LEU HD12 H 1 0.90 0.02 . 2 . . . A 20 LEU HD12 . 26035 1 187 . 1 1 20 20 LEU HD13 H 1 0.90 0.02 . 2 . . . A 20 LEU HD13 . 26035 1 188 . 1 1 20 20 LEU HD21 H 1 0.94 0.02 . 2 . . . A 20 LEU HD21 . 26035 1 189 . 1 1 20 20 LEU HD22 H 1 0.94 0.02 . 2 . . . A 20 LEU HD22 . 26035 1 190 . 1 1 20 20 LEU HD23 H 1 0.94 0.02 . 2 . . . A 20 LEU HD23 . 26035 1 191 . 1 1 20 20 LEU CA C 13 57.7 0.1 . 1 . . . A 20 LEU CA . 26035 1 192 . 1 1 20 20 LEU CB C 13 41.8 0.1 . 1 . . . A 20 LEU CB . 26035 1 193 . 1 1 20 20 LEU CG C 13 26.8 0.1 . 1 . . . A 20 LEU CG . 26035 1 194 . 1 1 20 20 LEU CD1 C 13 23.1 0.1 . 1 . . . A 20 LEU CD1 . 26035 1 195 . 1 1 20 20 LEU CD2 C 13 24.3 0.1 . 1 . . . A 20 LEU CD2 . 26035 1 196 . 1 1 21 21 TRP H H 1 7.89 0.02 . 1 . . . A 21 TRP H . 26035 1 197 . 1 1 21 21 TRP HA H 1 4.28 0.02 . 1 . . . A 21 TRP HA . 26035 1 198 . 1 1 21 21 TRP HB2 H 1 3.40 0.02 . 2 . . . A 21 TRP HB2 . 26035 1 199 . 1 1 21 21 TRP HB3 H 1 3.40 0.02 . 2 . . . A 21 TRP HB3 . 26035 1 200 . 1 1 21 21 TRP HD1 H 1 7.03 0.02 . 1 . . . A 21 TRP HD1 . 26035 1 201 . 1 1 21 21 TRP HE1 H 1 9.25 0.02 . 1 . . . A 21 TRP HE1 . 26035 1 202 . 1 1 21 21 TRP HE3 H 1 7.39 0.02 . 1 . . . A 21 TRP HE3 . 26035 1 203 . 1 1 21 21 TRP HZ2 H 1 7.44 0.02 . 1 . . . A 21 TRP HZ2 . 26035 1 204 . 1 1 21 21 TRP HZ3 H 1 7.05 0.02 . 1 . . . A 21 TRP HZ3 . 26035 1 205 . 1 1 21 21 TRP HH2 H 1 7.18 0.02 . 1 . . . A 21 TRP HH2 . 26035 1 206 . 1 1 21 21 TRP CA C 13 60.4 0.1 . 1 . . . A 21 TRP CA . 26035 1 207 . 1 1 21 21 TRP CB C 13 28.8 0.1 . 1 . . . A 21 TRP CB . 26035 1 208 . 1 1 22 22 TYR H H 1 7.57 0.02 . 1 . . . A 22 TYR H . 26035 1 209 . 1 1 22 22 TYR HA H 1 4.08 0.02 . 1 . . . A 22 TYR HA . 26035 1 210 . 1 1 22 22 TYR HB2 H 1 2.93 0.02 . 2 . . . A 22 TYR HB2 . 26035 1 211 . 1 1 22 22 TYR HB3 H 1 3.03 0.02 . 2 . . . A 22 TYR HB3 . 26035 1 212 . 1 1 22 22 TYR HD1 H 1 7.13 0.02 . 3 . . . A 22 TYR HD1 . 26035 1 213 . 1 1 22 22 TYR HD2 H 1 7.13 0.02 . 3 . . . A 22 TYR HD2 . 26035 1 214 . 1 1 22 22 TYR HE1 H 1 6.85 0.02 . 3 . . . A 22 TYR HE1 . 26035 1 215 . 1 1 22 22 TYR HE2 H 1 6.85 0.02 . 3 . . . A 22 TYR HE2 . 26035 1 216 . 1 1 22 22 TYR CA C 13 61.2 0.1 . 1 . . . A 22 TYR CA . 26035 1 217 . 1 1 22 22 TYR CB C 13 37.9 0.1 . 1 . . . A 22 TYR CB . 26035 1 218 . 1 1 23 23 ILE H H 1 8.02 0.02 . 1 . . . A 23 ILE H . 26035 1 219 . 1 1 23 23 ILE HA H 1 3.83 0.02 . 1 . . . A 23 ILE HA . 26035 1 220 . 1 1 23 23 ILE HB H 1 1.86 0.02 . 1 . . . A 23 ILE HB . 26035 1 221 . 1 1 23 23 ILE HG12 H 1 1.17 0.02 . 2 . . . A 23 ILE HG12 . 26035 1 222 . 1 1 23 23 ILE HG13 H 1 1.50 0.02 . 2 . . . A 23 ILE HG13 . 26035 1 223 . 1 1 23 23 ILE HG21 H 1 0.92 0.02 . 1 . . . A 23 ILE HG21 . 26035 1 224 . 1 1 23 23 ILE HG22 H 1 0.92 0.02 . 1 . . . A 23 ILE HG22 . 26035 1 225 . 1 1 23 23 ILE HG23 H 1 0.92 0.02 . 1 . . . A 23 ILE HG23 . 26035 1 226 . 1 1 23 23 ILE HD11 H 1 0.80 0.02 . 1 . . . A 23 ILE HD11 . 26035 1 227 . 1 1 23 23 ILE HD12 H 1 0.80 0.02 . 1 . . . A 23 ILE HD12 . 26035 1 228 . 1 1 23 23 ILE HD13 H 1 0.80 0.02 . 1 . . . A 23 ILE HD13 . 26035 1 229 . 1 1 23 23 ILE CA C 13 64.2 0.1 . 1 . . . A 23 ILE CA . 26035 1 230 . 1 1 23 23 ILE CB C 13 37.6 0.1 . 1 . . . A 23 ILE CB . 26035 1 231 . 1 1 23 23 ILE CG1 C 13 28.3 0.1 . 1 . . . A 23 ILE CG1 . 26035 1 232 . 1 1 23 23 ILE CG2 C 13 16.8 0.1 . 1 . . . A 23 ILE CG2 . 26035 1 233 . 1 1 23 23 ILE CD1 C 13 11.5 0.1 . 1 . . . A 23 ILE CD1 . 26035 1 234 . 1 1 24 24 LYS H H 1 7.83 0.02 . 1 . . . A 24 LYS H . 26035 1 235 . 1 1 24 24 LYS HA H 1 3.94 0.02 . 1 . . . A 24 LYS HA . 26035 1 236 . 1 1 24 24 LYS HB2 H 1 1.86 0.02 . 2 . . . A 24 LYS HB2 . 26035 1 237 . 1 1 24 24 LYS HB3 H 1 1.91 0.02 . 2 . . . A 24 LYS HB3 . 26035 1 238 . 1 1 24 24 LYS HG2 H 1 1.40 0.02 . 2 . . . A 24 LYS HG2 . 26035 1 239 . 1 1 24 24 LYS HG3 H 1 1.59 0.02 . 2 . . . A 24 LYS HG3 . 26035 1 240 . 1 1 24 24 LYS HD2 H 1 1.63 0.02 . 2 . . . A 24 LYS HD2 . 26035 1 241 . 1 1 24 24 LYS HD3 H 1 1.63 0.02 . 2 . . . A 24 LYS HD3 . 26035 1 242 . 1 1 24 24 LYS CA C 13 60.0 0.1 . 1 . . . A 24 LYS CA . 26035 1 243 . 1 1 24 24 LYS CB C 13 31.9 0.1 . 1 . . . A 24 LYS CB . 26035 1 244 . 1 1 24 24 LYS CG C 13 25.3 0.1 . 1 . . . A 24 LYS CG . 26035 1 245 . 1 1 25 25 LEU H H 1 7.64 0.02 . 1 . . . A 25 LEU H . 26035 1 246 . 1 1 25 25 LEU HA H 1 4.08 0.02 . 1 . . . A 25 LEU HA . 26035 1 247 . 1 1 25 25 LEU HB2 H 1 1.56 0.02 . 2 . . . A 25 LEU HB2 . 26035 1 248 . 1 1 25 25 LEU HB3 H 1 1.76 0.02 . 2 . . . A 25 LEU HB3 . 26035 1 249 . 1 1 25 25 LEU HG H 1 1.63 0.02 . 1 . . . A 25 LEU HG . 26035 1 250 . 1 1 25 25 LEU HD11 H 1 0.91 0.02 . 2 . . . A 25 LEU HD11 . 26035 1 251 . 1 1 25 25 LEU HD12 H 1 0.91 0.02 . 2 . . . A 25 LEU HD12 . 26035 1 252 . 1 1 25 25 LEU HD13 H 1 0.91 0.02 . 2 . . . A 25 LEU HD13 . 26035 1 253 . 1 1 25 25 LEU HD21 H 1 0.90 0.02 . 2 . . . A 25 LEU HD21 . 26035 1 254 . 1 1 25 25 LEU HD22 H 1 0.90 0.02 . 2 . . . A 25 LEU HD22 . 26035 1 255 . 1 1 25 25 LEU HD23 H 1 0.90 0.02 . 2 . . . A 25 LEU HD23 . 26035 1 256 . 1 1 25 25 LEU CA C 13 58.1 0.1 . 1 . . . A 25 LEU CA . 26035 1 257 . 1 1 25 25 LEU CB C 13 41.7 0.1 . 1 . . . A 25 LEU CB . 26035 1 258 . 1 1 25 25 LEU CG C 13 26.9 0.1 . 1 . . . A 25 LEU CG . 26035 1 259 . 1 1 25 25 LEU CD1 C 13 23.9 0.1 . 1 . . . A 25 LEU CD1 . 26035 1 260 . 1 1 25 25 LEU CD2 C 13 23.8 0.1 . 1 . . . A 25 LEU CD2 . 26035 1 261 . 1 1 26 26 PHE H H 1 8.18 0.02 . 1 . . . A 26 PHE H . 26035 1 262 . 1 1 26 26 PHE HA H 1 4.18 0.02 . 1 . . . A 26 PHE HA . 26035 1 263 . 1 1 26 26 PHE HB2 H 1 3.14 0.02 . 2 . . . A 26 PHE HB2 . 26035 1 264 . 1 1 26 26 PHE HB3 H 1 3.30 0.02 . 2 . . . A 26 PHE HB3 . 26035 1 265 . 1 1 26 26 PHE HD1 H 1 7.18 0.02 . 3 . . . A 26 PHE HD1 . 26035 1 266 . 1 1 26 26 PHE HD2 H 1 7.18 0.02 . 3 . . . A 26 PHE HD2 . 26035 1 267 . 1 1 26 26 PHE HE1 H 1 7.26 0.02 . 3 . . . A 26 PHE HE1 . 26035 1 268 . 1 1 26 26 PHE HE2 H 1 7.26 0.02 . 3 . . . A 26 PHE HE2 . 26035 1 269 . 1 1 26 26 PHE HZ H 1 7.22 0.02 . 1 . . . A 26 PHE HZ . 26035 1 270 . 1 1 26 26 PHE CA C 13 61.6 0.1 . 1 . . . A 26 PHE CA . 26035 1 271 . 1 1 26 26 PHE CB C 13 38.8 0.1 . 1 . . . A 26 PHE CB . 26035 1 272 . 1 1 27 27 ILE H H 1 8.50 0.02 . 1 . . . A 27 ILE H . 26035 1 273 . 1 1 27 27 ILE HA H 1 3.59 0.02 . 1 . . . A 27 ILE HA . 26035 1 274 . 1 1 27 27 ILE HB H 1 2.02 0.02 . 1 . . . A 27 ILE HB . 26035 1 275 . 1 1 27 27 ILE HG12 H 1 1.32 0.02 . 2 . . . A 27 ILE HG12 . 26035 1 276 . 1 1 27 27 ILE HG13 H 1 1.93 0.02 . 2 . . . A 27 ILE HG13 . 26035 1 277 . 1 1 27 27 ILE HG21 H 1 0.96 0.02 . 1 . . . A 27 ILE HG21 . 26035 1 278 . 1 1 27 27 ILE HG22 H 1 0.96 0.02 . 1 . . . A 27 ILE HG22 . 26035 1 279 . 1 1 27 27 ILE HG23 H 1 0.96 0.02 . 1 . . . A 27 ILE HG23 . 26035 1 280 . 1 1 27 27 ILE HD11 H 1 0.91 0.02 . 1 . . . A 27 ILE HD11 . 26035 1 281 . 1 1 27 27 ILE HD12 H 1 0.91 0.02 . 1 . . . A 27 ILE HD12 . 26035 1 282 . 1 1 27 27 ILE HD13 H 1 0.91 0.02 . 1 . . . A 27 ILE HD13 . 26035 1 283 . 1 1 27 27 ILE CA C 13 65.1 0.1 . 1 . . . A 27 ILE CA . 26035 1 284 . 1 1 27 27 ILE CB C 13 37.9 0.1 . 1 . . . A 27 ILE CB . 26035 1 285 . 1 1 27 27 ILE CG1 C 13 28.7 0.1 . 1 . . . A 27 ILE CG1 . 26035 1 286 . 1 1 27 27 ILE CG2 C 13 16.6 0.1 . 1 . . . A 27 ILE CG2 . 26035 1 287 . 1 1 27 27 ILE CD1 C 13 12.2 0.1 . 1 . . . A 27 ILE CD1 . 26035 1 288 . 1 1 28 28 MET H H 1 8.05 0.02 . 1 . . . A 28 MET H . 26035 1 289 . 1 1 28 28 MET HA H 1 4.17 0.02 . 1 . . . A 28 MET HA . 26035 1 290 . 1 1 28 28 MET HB2 H 1 2.27 0.02 . 2 . . . A 28 MET HB2 . 26035 1 291 . 1 1 28 28 MET HB3 H 1 2.43 0.02 . 2 . . . A 28 MET HB3 . 26035 1 292 . 1 1 28 28 MET HG2 H 1 2.59 0.02 . 2 . . . A 28 MET HG2 . 26035 1 293 . 1 1 28 28 MET HG3 H 1 2.81 0.02 . 2 . . . A 28 MET HG3 . 26035 1 294 . 1 1 28 28 MET HE1 H 1 2.11 0.02 . 1 . . . A 28 MET HE1 . 26035 1 295 . 1 1 28 28 MET HE2 H 1 2.11 0.02 . 1 . . . A 28 MET HE2 . 26035 1 296 . 1 1 28 28 MET HE3 H 1 2.11 0.02 . 1 . . . A 28 MET HE3 . 26035 1 297 . 1 1 28 28 MET CA C 13 58.9 0.1 . 1 . . . A 28 MET CA . 26035 1 298 . 1 1 28 28 MET CB C 13 32.3 0.1 . 1 . . . A 28 MET CB . 26035 1 299 . 1 1 28 28 MET CG C 13 32.1 0.1 . 1 . . . A 28 MET CG . 26035 1 300 . 1 1 28 28 MET CE C 13 16.1 0.1 . 1 . . . A 28 MET CE . 26035 1 301 . 1 1 29 29 ILE H H 1 8.47 0.02 . 1 . . . A 29 ILE H . 26035 1 302 . 1 1 29 29 ILE HA H 1 3.76 0.02 . 1 . . . A 29 ILE HA . 26035 1 303 . 1 1 29 29 ILE HB H 1 2.02 0.02 . 1 . . . A 29 ILE HB . 26035 1 304 . 1 1 29 29 ILE HG12 H 1 1.16 0.02 . 2 . . . A 29 ILE HG12 . 26035 1 305 . 1 1 29 29 ILE HG13 H 1 1.83 0.02 . 2 . . . A 29 ILE HG13 . 26035 1 306 . 1 1 29 29 ILE HG21 H 1 0.90 0.02 . 1 . . . A 29 ILE HG21 . 26035 1 307 . 1 1 29 29 ILE HG22 H 1 0.90 0.02 . 1 . . . A 29 ILE HG22 . 26035 1 308 . 1 1 29 29 ILE HG23 H 1 0.90 0.02 . 1 . . . A 29 ILE HG23 . 26035 1 309 . 1 1 29 29 ILE HD11 H 1 0.89 0.02 . 1 . . . A 29 ILE HD11 . 26035 1 310 . 1 1 29 29 ILE HD12 H 1 0.89 0.02 . 1 . . . A 29 ILE HD12 . 26035 1 311 . 1 1 29 29 ILE HD13 H 1 0.89 0.02 . 1 . . . A 29 ILE HD13 . 26035 1 312 . 1 1 29 29 ILE CA C 13 65.2 0.1 . 1 . . . A 29 ILE CA . 26035 1 313 . 1 1 29 29 ILE CB C 13 37.9 0.1 . 1 . . . A 29 ILE CB . 26035 1 314 . 1 1 29 29 ILE CG1 C 13 28.6 0.1 . 1 . . . A 29 ILE CG1 . 26035 1 315 . 1 1 29 29 ILE CG2 C 13 16.3 0.1 . 1 . . . A 29 ILE CG2 . 26035 1 316 . 1 1 29 29 ILE CD1 C 13 11.9 0.1 . 1 . . . A 29 ILE CD1 . 26035 1 317 . 1 1 30 30 VAL H H 1 8.58 0.02 . 1 . . . A 30 VAL H . 26035 1 318 . 1 1 30 30 VAL HA H 1 3.55 0.02 . 1 . . . A 30 VAL HA . 26035 1 319 . 1 1 30 30 VAL HB H 1 1.87 0.02 . 1 . . . A 30 VAL HB . 26035 1 320 . 1 1 30 30 VAL HG11 H 1 0.70 0.02 . 2 . . . A 30 VAL HG11 . 26035 1 321 . 1 1 30 30 VAL HG12 H 1 0.70 0.02 . 2 . . . A 30 VAL HG12 . 26035 1 322 . 1 1 30 30 VAL HG13 H 1 0.70 0.02 . 2 . . . A 30 VAL HG13 . 26035 1 323 . 1 1 30 30 VAL HG21 H 1 0.82 0.02 . 2 . . . A 30 VAL HG21 . 26035 1 324 . 1 1 30 30 VAL HG22 H 1 0.82 0.02 . 2 . . . A 30 VAL HG22 . 26035 1 325 . 1 1 30 30 VAL HG23 H 1 0.82 0.02 . 2 . . . A 30 VAL HG23 . 26035 1 326 . 1 1 30 30 VAL CA C 13 66.7 0.1 . 1 . . . A 30 VAL CA . 26035 1 327 . 1 1 30 30 VAL CB C 13 31.4 0.1 . 1 . . . A 30 VAL CB . 26035 1 328 . 1 1 30 30 VAL CG1 C 13 21.9 0.1 . 1 . . . A 30 VAL CG1 . 26035 1 329 . 1 1 30 30 VAL CG2 C 13 20.7 0.1 . 1 . . . A 30 VAL CG2 . 26035 1 330 . 1 1 31 31 GLY H H 1 8.28 0.02 . 1 . . . A 31 GLY H . 26035 1 331 . 1 1 31 31 GLY HA2 H 1 3.81 0.02 . 2 . . . A 31 GLY HA2 . 26035 1 332 . 1 1 31 31 GLY HA3 H 1 3.91 0.02 . 2 . . . A 31 GLY HA3 . 26035 1 333 . 1 1 31 31 GLY CA C 13 46.8 0.1 . 1 . . . A 31 GLY CA . 26035 1 334 . 1 1 32 32 LYS H H 1 7.88 0.02 . 1 . . . A 32 LYS H . 26035 1 335 . 1 1 32 32 LYS HA H 1 4.24 0.02 . 1 . . . A 32 LYS HA . 26035 1 336 . 1 1 32 32 LYS HB2 H 1 1.99 0.02 . 2 . . . A 32 LYS HB2 . 26035 1 337 . 1 1 32 32 LYS HB3 H 1 2.10 0.02 . 2 . . . A 32 LYS HB3 . 26035 1 338 . 1 1 32 32 LYS HG2 H 1 1.57 0.02 . 2 . . . A 32 LYS HG2 . 26035 1 339 . 1 1 32 32 LYS HG3 H 1 1.65 0.02 . 2 . . . A 32 LYS HG3 . 26035 1 340 . 1 1 32 32 LYS CA C 13 57.9 0.1 . 1 . . . A 32 LYS CA . 26035 1 341 . 1 1 32 32 LYS CB C 13 32.4 0.1 . 1 . . . A 32 LYS CB . 26035 1 342 . 1 1 32 32 LYS CG C 13 25.1 0.1 . 1 . . . A 32 LYS CG . 26035 1 343 . 1 1 33 33 LYS H H 1 8.24 0.02 . 1 . . . A 33 LYS H . 26035 1 344 . 1 1 33 33 LYS HA H 1 4.21 0.02 . 1 . . . A 33 LYS HA . 26035 1 345 . 1 1 33 33 LYS HB2 H 1 2.00 0.02 . 2 . . . A 33 LYS HB2 . 26035 1 346 . 1 1 33 33 LYS HB3 H 1 2.04 0.02 . 2 . . . A 33 LYS HB3 . 26035 1 347 . 1 1 33 33 LYS HG2 H 1 1.55 0.02 . 2 . . . A 33 LYS HG2 . 26035 1 348 . 1 1 33 33 LYS HG3 H 1 1.55 0.02 . 2 . . . A 33 LYS HG3 . 26035 1 349 . 1 1 33 33 LYS HD2 H 1 1.64 0.02 . 2 . . . A 33 LYS HD2 . 26035 1 350 . 1 1 33 33 LYS HD3 H 1 1.64 0.02 . 2 . . . A 33 LYS HD3 . 26035 1 351 . 1 1 33 33 LYS CA C 13 58.1 0.1 . 1 . . . A 33 LYS CA . 26035 1 352 . 1 1 33 33 LYS CB C 13 33.3 0.1 . 1 . . . A 33 LYS CB . 26035 1 353 . 1 1 34 34 LYS H H 1 8.34 0.02 . 1 . . . A 34 LYS H . 26035 1 354 . 1 1 34 34 LYS HA H 1 4.27 0.02 . 1 . . . A 34 LYS HA . 26035 1 355 . 1 1 34 34 LYS HB2 H 1 1.97 0.02 . 2 . . . A 34 LYS HB2 . 26035 1 356 . 1 1 34 34 LYS HB3 H 1 1.97 0.02 . 2 . . . A 34 LYS HB3 . 26035 1 357 . 1 1 34 34 LYS HG2 H 1 1.55 0.02 . 2 . . . A 34 LYS HG2 . 26035 1 358 . 1 1 34 34 LYS HG3 H 1 1.55 0.02 . 2 . . . A 34 LYS HG3 . 26035 1 359 . 1 1 34 34 LYS HD2 H 1 1.76 0.02 . 2 . . . A 34 LYS HD2 . 26035 1 360 . 1 1 34 34 LYS HD3 H 1 1.76 0.02 . 2 . . . A 34 LYS HD3 . 26035 1 361 . 1 1 34 34 LYS CA C 13 58.3 0.1 . 1 . . . A 34 LYS CA . 26035 1 362 . 1 1 34 34 LYS CB C 13 32.6 0.1 . 1 . . . A 34 LYS CB . 26035 1 363 . 1 1 35 35 LYS H H 1 7.96 0.02 . 1 . . . A 35 LYS H . 26035 1 364 . 1 1 35 35 LYS HA H 1 4.33 0.02 . 1 . . . A 35 LYS HA . 26035 1 365 . 1 1 35 35 LYS HB2 H 1 2.00 0.02 . 2 . . . A 35 LYS HB2 . 26035 1 366 . 1 1 35 35 LYS HB3 H 1 2.00 0.02 . 2 . . . A 35 LYS HB3 . 26035 1 367 . 1 1 35 35 LYS HG2 H 1 1.57 0.02 . 2 . . . A 35 LYS HG2 . 26035 1 368 . 1 1 35 35 LYS HG3 H 1 1.57 0.02 . 2 . . . A 35 LYS HG3 . 26035 1 369 . 1 1 35 35 LYS HD2 H 1 1.61 0.02 . 2 . . . A 35 LYS HD2 . 26035 1 370 . 1 1 35 35 LYS HD3 H 1 1.61 0.02 . 2 . . . A 35 LYS HD3 . 26035 1 371 . 1 1 35 35 LYS CA C 13 56.9 0.1 . 1 . . . A 35 LYS CA . 26035 1 372 . 1 1 35 35 LYS CB C 13 32.4 0.1 . 1 . . . A 35 LYS CB . 26035 1 373 . 1 1 36 36 LYS H H 1 8.09 0.02 . 1 . . . A 36 LYS H . 26035 1 374 . 1 1 36 36 LYS HA H 1 4.34 0.02 . 1 . . . A 36 LYS HA . 26035 1 375 . 1 1 36 36 LYS HB2 H 1 1.92 0.02 . 2 . . . A 36 LYS HB2 . 26035 1 376 . 1 1 36 36 LYS HB3 H 1 1.98 0.02 . 2 . . . A 36 LYS HB3 . 26035 1 377 . 1 1 36 36 LYS HG2 H 1 1.59 0.02 . 2 . . . A 36 LYS HG2 . 26035 1 378 . 1 1 36 36 LYS HG3 H 1 1.59 0.02 . 2 . . . A 36 LYS HG3 . 26035 1 379 . 1 1 36 36 LYS HD2 H 1 1.80 0.02 . 2 . . . A 36 LYS HD2 . 26035 1 380 . 1 1 36 36 LYS HD3 H 1 1.80 0.02 . 2 . . . A 36 LYS HD3 . 26035 1 381 . 1 1 36 36 LYS HE2 H 1 3.10 0.02 . 2 . . . A 36 LYS HE2 . 26035 1 382 . 1 1 36 36 LYS HE3 H 1 3.10 0.02 . 2 . . . A 36 LYS HE3 . 26035 1 383 . 1 1 36 36 LYS CA C 13 56.3 0.1 . 1 . . . A 36 LYS CA . 26035 1 384 . 1 1 36 36 LYS CB C 13 32.9 0.1 . 1 . . . A 36 LYS CB . 26035 1 385 . 1 1 36 36 LYS CG C 13 24.0 0.1 . 1 . . . A 36 LYS CG . 26035 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 26035 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _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 3 '2D 1H-1H TOCSY' 2 $sample_2 isotropic 26035 2 4 '2D 1H-1H NOESY' 2 $sample_2 isotropic 26035 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 26035 2 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 LYS HA H 1 4.47 0.02 . 1 . . . A 2 LYS HA . 26035 2 2 . 1 1 2 2 LYS HB2 H 1 1.85 0.02 . 2 . . . A 2 LYS HB2 . 26035 2 3 . 1 1 2 2 LYS HB3 H 1 1.93 0.02 . 2 . . . A 2 LYS HB3 . 26035 2 4 . 1 1 2 2 LYS HD2 H 1 1.55 0.02 . 2 . . . A 2 LYS HD2 . 26035 2 5 . 1 1 2 2 LYS HD3 H 1 1.55 0.02 . 2 . . . A 2 LYS HD3 . 26035 2 6 . 1 1 3 3 LYS HA H 1 4.37 0.02 . 1 . . . A 3 LYS HA . 26035 2 7 . 1 1 3 3 LYS HB2 H 1 1.85 0.02 . 2 . . . A 3 LYS HB2 . 26035 2 8 . 1 1 3 3 LYS HB3 H 1 1.92 0.02 . 2 . . . A 3 LYS HB3 . 26035 2 9 . 1 1 3 3 LYS HG2 H 1 1.50 0.02 . 2 . . . A 3 LYS HG2 . 26035 2 10 . 1 1 3 3 LYS HG3 H 1 1.50 0.02 . 2 . . . A 3 LYS HG3 . 26035 2 11 . 1 1 4 4 LYS HA H 1 4.34 0.02 . 1 . . . A 4 LYS HA . 26035 2 12 . 1 1 4 4 LYS HB2 H 1 1.82 0.02 . 2 . . . A 4 LYS HB2 . 26035 2 13 . 1 1 4 4 LYS HB3 H 1 1.87 0.02 . 2 . . . A 4 LYS HB3 . 26035 2 14 . 1 1 4 4 LYS HG2 H 1 1.47 0.02 . 2 . . . A 4 LYS HG2 . 26035 2 15 . 1 1 4 4 LYS HG3 H 1 1.52 0.02 . 2 . . . A 4 LYS HG3 . 26035 2 16 . 1 1 5 5 ASP HA H 1 4.67 0.02 . 1 . . . A 5 ASP HA . 26035 2 17 . 1 1 5 5 ASP HB2 H 1 2.69 0.02 . 2 . . . A 5 ASP HB2 . 26035 2 18 . 1 1 6 6 LYS HA H 1 4.16 0.02 . 1 . . . A 6 LYS HA . 26035 2 19 . 1 1 6 6 LYS HB2 H 1 1.78 0.02 . 2 . . . A 6 LYS HB2 . 26035 2 20 . 1 1 6 6 LYS HB3 H 1 1.78 0.02 . 2 . . . A 6 LYS HB3 . 26035 2 21 . 1 1 6 6 LYS HG2 H 1 1.29 0.02 . 2 . . . A 6 LYS HG2 . 26035 2 22 . 1 1 6 6 LYS HG3 H 1 1.29 0.02 . 2 . . . A 6 LYS HG3 . 26035 2 23 . 1 1 6 6 LYS HD2 H 1 1.63 0.02 . 2 . . . A 6 LYS HD2 . 26035 2 24 . 1 1 6 6 LYS HD3 H 1 1.63 0.02 . 2 . . . A 6 LYS HD3 . 26035 2 25 . 1 1 6 6 LYS HE2 H 1 2.89 0.02 . 2 . . . A 6 LYS HE2 . 26035 2 26 . 1 1 6 6 LYS HE3 H 1 2.89 0.02 . 2 . . . A 6 LYS HE3 . 26035 2 27 . 1 1 7 7 TRP HA H 1 4.58 0.02 . 1 . . . A 7 TRP HA . 26035 2 28 . 1 1 7 7 TRP HB2 H 1 3.35 0.02 . 2 . . . A 7 TRP HB2 . 26035 2 29 . 1 1 7 7 TRP HB3 H 1 3.41 0.02 . 2 . . . A 7 TRP HB3 . 26035 2 30 . 1 1 7 7 TRP HD1 H 1 7.28 0.02 . 1 . . . A 7 TRP HD1 . 26035 2 31 . 1 1 7 7 TRP HE3 H 1 7.64 0.02 . 1 . . . A 7 TRP HE3 . 26035 2 32 . 1 1 7 7 TRP HZ2 H 1 7.44 0.02 . 1 . . . A 7 TRP HZ2 . 26035 2 33 . 1 1 7 7 TRP HZ3 H 1 7.16 0.02 . 1 . . . A 7 TRP HZ3 . 26035 2 34 . 1 1 7 7 TRP HH2 H 1 7.24 0.02 . 1 . . . A 7 TRP HH2 . 26035 2 35 . 1 1 8 8 ALA HA H 1 4.19 0.02 . 1 . . . A 8 ALA HA . 26035 2 36 . 1 1 8 8 ALA HB1 H 1 1.48 0.02 . 1 . . . A 8 ALA HB1 . 26035 2 37 . 1 1 8 8 ALA HB2 H 1 1.48 0.02 . 1 . . . A 8 ALA HB2 . 26035 2 38 . 1 1 8 8 ALA HB3 H 1 1.48 0.02 . 1 . . . A 8 ALA HB3 . 26035 2 39 . 1 1 9 9 SER HA H 1 4.40 0.02 . 1 . . . A 9 SER HA . 26035 2 40 . 1 1 9 9 SER HB2 H 1 3.92 0.02 . 2 . . . A 9 SER HB2 . 26035 2 41 . 1 1 9 9 SER HB3 H 1 4.00 0.02 . 2 . . . A 9 SER HB3 . 26035 2 42 . 1 1 10 10 LEU HA H 1 4.28 0.02 . 1 . . . A 10 LEU HA . 26035 2 43 . 1 1 10 10 LEU HB2 H 1 1.58 0.02 . 2 . . . A 10 LEU HB2 . 26035 2 44 . 1 1 10 10 LEU HB3 H 1 1.66 0.02 . 2 . . . A 10 LEU HB3 . 26035 2 45 . 1 1 10 10 LEU HG H 1 1.58 0.02 . 1 . . . A 10 LEU HG . 26035 2 46 . 1 1 10 10 LEU HD11 H 1 0.82 0.02 . 2 . . . A 10 LEU HD11 . 26035 2 47 . 1 1 10 10 LEU HD12 H 1 0.82 0.02 . 2 . . . A 10 LEU HD12 . 26035 2 48 . 1 1 10 10 LEU HD13 H 1 0.82 0.02 . 2 . . . A 10 LEU HD13 . 26035 2 49 . 1 1 10 10 LEU HD21 H 1 0.89 0.02 . 2 . . . A 10 LEU HD21 . 26035 2 50 . 1 1 10 10 LEU HD22 H 1 0.89 0.02 . 2 . . . A 10 LEU HD22 . 26035 2 51 . 1 1 10 10 LEU HD23 H 1 0.89 0.02 . 2 . . . A 10 LEU HD23 . 26035 2 52 . 1 1 11 11 TRP HA H 1 4.57 0.02 . 1 . . . A 11 TRP HA . 26035 2 53 . 1 1 11 11 TRP HB2 H 1 3.17 0.02 . 2 . . . A 11 TRP HB2 . 26035 2 54 . 1 1 11 11 TRP HB3 H 1 3.30 0.02 . 2 . . . A 11 TRP HB3 . 26035 2 55 . 1 1 11 11 TRP HD1 H 1 7.06 0.02 . 1 . . . A 11 TRP HD1 . 26035 2 56 . 1 1 11 11 TRP HE3 H 1 7.58 0.02 . 1 . . . A 11 TRP HE3 . 26035 2 57 . 1 1 11 11 TRP HZ2 H 1 7.41 0.02 . 1 . . . A 11 TRP HZ2 . 26035 2 58 . 1 1 11 11 TRP HZ3 H 1 7.04 0.02 . 1 . . . A 11 TRP HZ3 . 26035 2 59 . 1 1 11 11 TRP HH2 H 1 7.18 0.02 . 1 . . . A 11 TRP HH2 . 26035 2 60 . 1 1 12 12 ASN HA H 1 4.58 0.02 . 1 . . . A 12 ASN HA . 26035 2 61 . 1 1 12 12 ASN HB2 H 1 2.76 0.02 . 2 . . . A 12 ASN HB2 . 26035 2 62 . 1 1 12 12 ASN HB3 H 1 2.86 0.02 . 2 . . . A 12 ASN HB3 . 26035 2 63 . 1 1 13 13 TRP HA H 1 4.43 0.02 . 1 . . . A 13 TRP HA . 26035 2 64 . 1 1 13 13 TRP HB2 H 1 3.34 0.02 . 2 . . . A 13 TRP HB2 . 26035 2 65 . 1 1 13 13 TRP HB3 H 1 3.44 0.02 . 2 . . . A 13 TRP HB3 . 26035 2 66 . 1 1 13 13 TRP HD1 H 1 7.05 0.02 . 1 . . . A 13 TRP HD1 . 26035 2 67 . 1 1 13 13 TRP HE3 H 1 7.51 0.02 . 1 . . . A 13 TRP HE3 . 26035 2 68 . 1 1 13 13 TRP HZ2 H 1 7.42 0.02 . 1 . . . A 13 TRP HZ2 . 26035 2 69 . 1 1 13 13 TRP HZ3 H 1 7.11 0.02 . 1 . . . A 13 TRP HZ3 . 26035 2 70 . 1 1 13 13 TRP HH2 H 1 7.21 0.02 . 1 . . . A 13 TRP HH2 . 26035 2 71 . 1 1 14 14 PHE HA H 1 4.06 0.02 . 1 . . . A 14 PHE HA . 26035 2 72 . 1 1 14 14 PHE HB2 H 1 3.03 0.02 . 2 . . . A 14 PHE HB2 . 26035 2 73 . 1 1 14 14 PHE HB3 H 1 3.12 0.02 . 2 . . . A 14 PHE HB3 . 26035 2 74 . 1 1 14 14 PHE HD1 H 1 7.17 0.02 . 3 . . . A 14 PHE HD1 . 26035 2 75 . 1 1 14 14 PHE HD2 H 1 7.17 0.02 . 3 . . . A 14 PHE HD2 . 26035 2 76 . 1 1 14 14 PHE HE1 H 1 7.30 0.02 . 3 . . . A 14 PHE HE1 . 26035 2 77 . 1 1 14 14 PHE HE2 H 1 7.30 0.02 . 3 . . . A 14 PHE HE2 . 26035 2 78 . 1 1 14 14 PHE HZ H 1 7.02 0.02 . 1 . . . A 14 PHE HZ . 26035 2 79 . 1 1 15 15 ASP HA H 1 4.47 0.02 . 1 . . . A 15 ASP HA . 26035 2 80 . 1 1 15 15 ASP HB2 H 1 2.77 0.02 . 2 . . . A 15 ASP HB2 . 26035 2 81 . 1 1 15 15 ASP HB3 H 1 2.86 0.02 . 2 . . . A 15 ASP HB3 . 26035 2 82 . 1 1 16 16 ILE HA H 1 3.94 0.02 . 1 . . . A 16 ILE HA . 26035 2 83 . 1 1 16 16 ILE HB H 1 1.91 0.02 . 1 . . . A 16 ILE HB . 26035 2 84 . 1 1 16 16 ILE HG12 H 1 1.67 0.02 . 2 . . . A 16 ILE HG12 . 26035 2 85 . 1 1 16 16 ILE HG13 H 1 1.27 0.02 . 2 . . . A 16 ILE HG13 . 26035 2 86 . 1 1 16 16 ILE HG21 H 1 1.01 0.02 . 1 . . . A 16 ILE HG21 . 26035 2 87 . 1 1 16 16 ILE HG22 H 1 1.01 0.02 . 1 . . . A 16 ILE HG22 . 26035 2 88 . 1 1 16 16 ILE HG23 H 1 1.01 0.02 . 1 . . . A 16 ILE HG23 . 26035 2 89 . 1 1 16 16 ILE HD11 H 1 0.89 0.02 . 1 . . . A 16 ILE HD11 . 26035 2 90 . 1 1 16 16 ILE HD12 H 1 0.89 0.02 . 1 . . . A 16 ILE HD12 . 26035 2 91 . 1 1 16 16 ILE HD13 H 1 0.89 0.02 . 1 . . . A 16 ILE HD13 . 26035 2 92 . 1 1 17 17 THR HA H 1 3.94 0.02 . 1 . . . A 17 THR HA . 26035 2 93 . 1 1 17 17 THR HB H 1 4.03 0.02 . 1 . . . A 17 THR HB . 26035 2 94 . 1 1 17 17 THR HG21 H 1 1.00 0.02 . 1 . . . A 17 THR HG21 . 26035 2 95 . 1 1 17 17 THR HG22 H 1 1.00 0.02 . 1 . . . A 17 THR HG22 . 26035 2 96 . 1 1 17 17 THR HG23 H 1 1.00 0.02 . 1 . . . A 17 THR HG23 . 26035 2 97 . 1 1 18 18 ASN HA H 1 4.58 0.02 . 1 . . . A 18 ASN HA . 26035 2 98 . 1 1 18 18 ASN HB2 H 1 2.64 0.02 . 2 . . . A 18 ASN HB2 . 26035 2 99 . 1 1 18 18 ASN HB3 H 1 2.80 0.02 . 2 . . . A 18 ASN HB3 . 26035 2 100 . 1 1 19 19 TRP HB2 H 1 3.40 0.02 . 2 . . . A 19 TRP HB2 . 26035 2 101 . 1 1 19 19 TRP HB3 H 1 3.54 0.02 . 2 . . . A 19 TRP HB3 . 26035 2 102 . 1 1 19 19 TRP HD1 H 1 7.18 0.02 . 1 . . . A 19 TRP HD1 . 26035 2 103 . 1 1 19 19 TRP HE3 H 1 7.60 0.02 . 1 . . . A 19 TRP HE3 . 26035 2 104 . 1 1 19 19 TRP HZ2 H 1 7.37 0.02 . 1 . . . A 19 TRP HZ2 . 26035 2 105 . 1 1 19 19 TRP HZ3 H 1 7.04 0.02 . 1 . . . A 19 TRP HZ3 . 26035 2 106 . 1 1 19 19 TRP HH2 H 1 7.18 0.02 . 1 . . . A 19 TRP HH2 . 26035 2 107 . 1 1 20 20 LEU H H 1 8.26 0.02 . 1 . . . A 20 LEU H . 26035 2 108 . 1 1 20 20 LEU HA H 1 4.02 0.02 . 1 . . . A 20 LEU HA . 26035 2 109 . 1 1 20 20 LEU HB2 H 1 1.48 0.02 . 2 . . . A 20 LEU HB2 . 26035 2 110 . 1 1 20 20 LEU HB3 H 1 1.85 0.02 . 2 . . . A 20 LEU HB3 . 26035 2 111 . 1 1 20 20 LEU HD21 H 1 0.89 0.02 . 2 . . . A 20 LEU HD21 . 26035 2 112 . 1 1 20 20 LEU HD22 H 1 0.89 0.02 . 2 . . . A 20 LEU HD22 . 26035 2 113 . 1 1 20 20 LEU HD23 H 1 0.89 0.02 . 2 . . . A 20 LEU HD23 . 26035 2 114 . 1 1 21 21 TRP H H 1 7.91 0.02 . 1 . . . A 21 TRP H . 26035 2 115 . 1 1 21 21 TRP HA H 1 4.23 0.02 . 1 . . . A 21 TRP HA . 26035 2 116 . 1 1 21 21 TRP HB2 H 1 3.38 0.02 . 2 . . . A 21 TRP HB2 . 26035 2 117 . 1 1 21 21 TRP HB3 H 1 3.38 0.02 . 2 . . . A 21 TRP HB3 . 26035 2 118 . 1 1 21 21 TRP HD1 H 1 6.99 0.02 . 1 . . . A 21 TRP HD1 . 26035 2 119 . 1 1 21 21 TRP HE3 H 1 7.34 0.02 . 1 . . . A 21 TRP HE3 . 26035 2 120 . 1 1 21 21 TRP HZ2 H 1 7.40 0.02 . 1 . . . A 21 TRP HZ2 . 26035 2 121 . 1 1 21 21 TRP HZ3 H 1 7.06 0.02 . 1 . . . A 21 TRP HZ3 . 26035 2 122 . 1 1 21 21 TRP HH2 H 1 7.22 0.02 . 1 . . . A 21 TRP HH2 . 26035 2 123 . 1 1 22 22 TYR H H 1 7.57 0.02 . 1 . . . A 22 TYR H . 26035 2 124 . 1 1 22 22 TYR HA H 1 4.05 0.02 . 1 . . . A 22 TYR HA . 26035 2 125 . 1 1 22 22 TYR HB2 H 1 2.90 0.02 . 2 . . . A 22 TYR HB2 . 26035 2 126 . 1 1 22 22 TYR HB3 H 1 3.01 0.02 . 2 . . . A 22 TYR HB3 . 26035 2 127 . 1 1 22 22 TYR HD1 H 1 7.13 0.02 . 3 . . . A 22 TYR HD1 . 26035 2 128 . 1 1 22 22 TYR HD2 H 1 7.13 0.02 . 3 . . . A 22 TYR HD2 . 26035 2 129 . 1 1 22 22 TYR HE1 H 1 6.84 0.02 . 3 . . . A 22 TYR HE1 . 26035 2 130 . 1 1 22 22 TYR HE2 H 1 6.84 0.02 . 3 . . . A 22 TYR HE2 . 26035 2 131 . 1 1 23 23 ILE H H 1 8.03 0.02 . 1 . . . A 23 ILE H . 26035 2 132 . 1 1 23 23 ILE HA H 1 3.81 0.02 . 1 . . . A 23 ILE HA . 26035 2 133 . 1 1 23 23 ILE HB H 1 1.83 0.02 . 1 . . . A 23 ILE HB . 26035 2 134 . 1 1 23 23 ILE HG12 H 1 1.12 0.02 . 2 . . . A 23 ILE HG12 . 26035 2 135 . 1 1 23 23 ILE HG13 H 1 1.46 0.02 . 2 . . . A 23 ILE HG13 . 26035 2 136 . 1 1 23 23 ILE HG21 H 1 0.90 0.02 . 1 . . . A 23 ILE HG21 . 26035 2 137 . 1 1 23 23 ILE HG22 H 1 0.90 0.02 . 1 . . . A 23 ILE HG22 . 26035 2 138 . 1 1 23 23 ILE HG23 H 1 0.90 0.02 . 1 . . . A 23 ILE HG23 . 26035 2 139 . 1 1 23 23 ILE HD11 H 1 0.76 0.02 . 1 . . . A 23 ILE HD11 . 26035 2 140 . 1 1 23 23 ILE HD12 H 1 0.76 0.02 . 1 . . . A 23 ILE HD12 . 26035 2 141 . 1 1 23 23 ILE HD13 H 1 0.76 0.02 . 1 . . . A 23 ILE HD13 . 26035 2 142 . 1 1 24 24 LYS H H 1 7.85 0.02 . 1 . . . A 24 LYS H . 26035 2 143 . 1 1 24 24 LYS HA H 1 3.91 0.02 . 1 . . . A 24 LYS HA . 26035 2 144 . 1 1 24 24 LYS HB2 H 1 1.84 0.02 . 2 . . . A 24 LYS HB2 . 26035 2 145 . 1 1 24 24 LYS HB3 H 1 1.89 0.02 . 2 . . . A 24 LYS HB3 . 26035 2 146 . 1 1 24 24 LYS HG2 H 1 1.38 0.02 . 2 . . . A 24 LYS HG2 . 26035 2 147 . 1 1 24 24 LYS HG3 H 1 1.59 0.02 . 2 . . . A 24 LYS HG3 . 26035 2 148 . 1 1 24 24 LYS HD2 H 1 1.62 0.02 . 2 . . . A 24 LYS HD2 . 26035 2 149 . 1 1 24 24 LYS HD3 H 1 1.62 0.02 . 2 . . . A 24 LYS HD3 . 26035 2 150 . 1 1 25 25 LEU H H 1 7.62 0.02 . 1 . . . A 25 LEU H . 26035 2 151 . 1 1 25 25 LEU HA H 1 4.05 0.02 . 1 . . . A 25 LEU HA . 26035 2 152 . 1 1 25 25 LEU HB2 H 1 1.51 0.02 . 2 . . . A 25 LEU HB2 . 26035 2 153 . 1 1 25 25 LEU HB3 H 1 1.75 0.02 . 2 . . . A 25 LEU HB3 . 26035 2 154 . 1 1 25 25 LEU HG H 1 1.61 0.02 . 1 . . . A 25 LEU HG . 26035 2 155 . 1 1 25 25 LEU HD21 H 1 0.89 0.02 . 2 . . . A 25 LEU HD21 . 26035 2 156 . 1 1 25 25 LEU HD22 H 1 0.89 0.02 . 2 . . . A 25 LEU HD22 . 26035 2 157 . 1 1 25 25 LEU HD23 H 1 0.89 0.02 . 2 . . . A 25 LEU HD23 . 26035 2 158 . 1 1 26 26 PHE H H 1 8.17 0.02 . 1 . . . A 26 PHE H . 26035 2 159 . 1 1 26 26 PHE HA H 1 4.16 0.02 . 1 . . . A 26 PHE HA . 26035 2 160 . 1 1 26 26 PHE HB2 H 1 3.12 0.02 . 2 . . . A 26 PHE HB2 . 26035 2 161 . 1 1 26 26 PHE HB3 H 1 3.29 0.02 . 2 . . . A 26 PHE HB3 . 26035 2 162 . 1 1 26 26 PHE HD1 H 1 7.16 0.02 . 3 . . . A 26 PHE HD1 . 26035 2 163 . 1 1 26 26 PHE HD2 H 1 7.16 0.02 . 3 . . . A 26 PHE HD2 . 26035 2 164 . 1 1 26 26 PHE HE1 H 1 7.25 0.02 . 3 . . . A 26 PHE HE1 . 26035 2 165 . 1 1 26 26 PHE HE2 H 1 7.25 0.02 . 3 . . . A 26 PHE HE2 . 26035 2 166 . 1 1 26 26 PHE HZ H 1 7.19 0.02 . 1 . . . A 26 PHE HZ . 26035 2 167 . 1 1 27 27 ILE H H 1 8.52 0.02 . 1 . . . A 27 ILE H . 26035 2 168 . 1 1 27 27 ILE HA H 1 3.56 0.02 . 1 . . . A 27 ILE HA . 26035 2 169 . 1 1 27 27 ILE HB H 1 2.00 0.02 . 1 . . . A 27 ILE HB . 26035 2 170 . 1 1 27 27 ILE HG12 H 1 1.29 0.02 . 2 . . . A 27 ILE HG12 . 26035 2 171 . 1 1 27 27 ILE HG13 H 1 1.94 0.02 . 2 . . . A 27 ILE HG13 . 26035 2 172 . 1 1 27 27 ILE HG21 H 1 0.94 0.02 . 1 . . . A 27 ILE HG21 . 26035 2 173 . 1 1 27 27 ILE HG22 H 1 0.94 0.02 . 1 . . . A 27 ILE HG22 . 26035 2 174 . 1 1 27 27 ILE HG23 H 1 0.94 0.02 . 1 . . . A 27 ILE HG23 . 26035 2 175 . 1 1 27 27 ILE HD11 H 1 0.89 0.02 . 1 . . . A 27 ILE HD11 . 26035 2 176 . 1 1 27 27 ILE HD12 H 1 0.89 0.02 . 1 . . . A 27 ILE HD12 . 26035 2 177 . 1 1 27 27 ILE HD13 H 1 0.89 0.02 . 1 . . . A 27 ILE HD13 . 26035 2 178 . 1 1 28 28 MET H H 1 8.06 0.02 . 1 . . . A 28 MET H . 26035 2 179 . 1 1 28 28 MET HA H 1 4.15 0.02 . 1 . . . A 28 MET HA . 26035 2 180 . 1 1 28 28 MET HB2 H 1 2.25 0.02 . 2 . . . A 28 MET HB2 . 26035 2 181 . 1 1 28 28 MET HB3 H 1 2.42 0.02 . 2 . . . A 28 MET HB3 . 26035 2 182 . 1 1 28 28 MET HG2 H 1 2.56 0.02 . 2 . . . A 28 MET HG2 . 26035 2 183 . 1 1 28 28 MET HG3 H 1 2.79 0.02 . 2 . . . A 28 MET HG3 . 26035 2 184 . 1 1 28 28 MET HE1 H 1 2.08 0.02 . 1 . . . A 28 MET HE1 . 26035 2 185 . 1 1 28 28 MET HE2 H 1 2.08 0.02 . 1 . . . A 28 MET HE2 . 26035 2 186 . 1 1 28 28 MET HE3 H 1 2.08 0.02 . 1 . . . A 28 MET HE3 . 26035 2 187 . 1 1 29 29 ILE H H 1 8.52 0.02 . 1 . . . A 29 ILE H . 26035 2 188 . 1 1 29 29 ILE HA H 1 3.71 0.02 . 1 . . . A 29 ILE HA . 26035 2 189 . 1 1 29 29 ILE HB H 1 2.00 0.02 . 1 . . . A 29 ILE HB . 26035 2 190 . 1 1 29 29 ILE HG12 H 1 1.13 0.02 . 2 . . . A 29 ILE HG12 . 26035 2 191 . 1 1 29 29 ILE HG13 H 1 1.83 0.02 . 2 . . . A 29 ILE HG13 . 26035 2 192 . 1 1 29 29 ILE HG21 H 1 0.88 0.02 . 1 . . . A 29 ILE HG21 . 26035 2 193 . 1 1 29 29 ILE HG22 H 1 0.88 0.02 . 1 . . . A 29 ILE HG22 . 26035 2 194 . 1 1 29 29 ILE HG23 H 1 0.88 0.02 . 1 . . . A 29 ILE HG23 . 26035 2 195 . 1 1 29 29 ILE HD11 H 1 0.66 0.02 . 1 . . . A 29 ILE HD11 . 26035 2 196 . 1 1 29 29 ILE HD12 H 1 0.66 0.02 . 1 . . . A 29 ILE HD12 . 26035 2 197 . 1 1 29 29 ILE HD13 H 1 0.66 0.02 . 1 . . . A 29 ILE HD13 . 26035 2 198 . 1 1 30 30 VAL H H 1 8.62 0.02 . 1 . . . A 30 VAL H . 26035 2 199 . 1 1 30 30 VAL HA H 1 3.50 0.02 . 1 . . . A 30 VAL HA . 26035 2 200 . 1 1 30 30 VAL HB H 1 1.85 0.02 . 1 . . . A 30 VAL HB . 26035 2 201 . 1 1 30 30 VAL HG11 H 1 0.66 0.02 . 2 . . . A 30 VAL HG11 . 26035 2 202 . 1 1 30 30 VAL HG12 H 1 0.66 0.02 . 2 . . . A 30 VAL HG12 . 26035 2 203 . 1 1 30 30 VAL HG13 H 1 0.66 0.02 . 2 . . . A 30 VAL HG13 . 26035 2 204 . 1 1 30 30 VAL HG21 H 1 0.80 0.02 . 2 . . . A 30 VAL HG21 . 26035 2 205 . 1 1 30 30 VAL HG22 H 1 0.80 0.02 . 2 . . . A 30 VAL HG22 . 26035 2 206 . 1 1 30 30 VAL HG23 H 1 0.80 0.02 . 2 . . . A 30 VAL HG23 . 26035 2 207 . 1 1 31 31 GLY HA2 H 1 3.78 0.02 . 2 . . . A 31 GLY HA2 . 26035 2 208 . 1 1 31 31 GLY HA3 H 1 3.90 0.02 . 2 . . . A 31 GLY HA3 . 26035 2 stop_ save_