################################### # 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 19262 _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 0.01 _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 COSY' . . . 19262 1 2 '2D 1H-1H TOCSY' . . . 19262 1 3 '2D 1H-1H NOESY' . . . 19262 1 4 '2D 1H-13C HSQC aliphatic' . . . 19262 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 ASN HB2 H 1 3.22 0.01 . 2 . . . A 1 ASN HB2 . 19262 1 2 . 1 1 1 1 ASN HB3 H 1 3.37 0.01 . 2 . . . A 1 ASN HB3 . 19262 1 3 . 1 1 1 1 ASN HD21 H 1 7.72 0.01 . 2 . . . A 1 ASN HD21 . 19262 1 4 . 1 1 1 1 ASN HD22 H 1 6.99 0.01 . 2 . . . A 1 ASN HD22 . 19262 1 5 . 1 1 2 2 GLU HA H 1 4.17 0.01 . 1 . . . A 2 GLU HA . 19262 1 6 . 1 1 2 2 GLU HB2 H 1 2.15 0.01 . 2 . . . A 2 GLU HB2 . 19262 1 7 . 1 1 2 2 GLU HB3 H 1 2.15 0.01 . 2 . . . A 2 GLU HB3 . 19262 1 8 . 1 1 2 2 GLU HG2 H 1 2.49 0.01 . 2 . . . A 2 GLU HG2 . 19262 1 9 . 1 1 2 2 GLU HG3 H 1 2.49 0.01 . 2 . . . A 2 GLU HG3 . 19262 1 10 . 1 1 3 3 GLN H H 1 8.34 0.01 . 1 . . . A 3 GLN H . 19262 1 11 . 1 1 3 3 GLN HA H 1 4.04 0.01 . 1 . . . A 3 GLN HA . 19262 1 12 . 1 1 3 3 GLN HB2 H 1 2.15 0.01 . 2 . . . A 3 GLN HB2 . 19262 1 13 . 1 1 3 3 GLN HB3 H 1 2.18 0.01 . 2 . . . A 3 GLN HB3 . 19262 1 14 . 1 1 3 3 GLN HG2 H 1 2.46 0.01 . 2 . . . A 3 GLN HG2 . 19262 1 15 . 1 1 3 3 GLN HG3 H 1 2.46 0.01 . 2 . . . A 3 GLN HG3 . 19262 1 16 . 1 1 4 4 GLU H H 1 8.09 0.01 . 1 . . . A 4 GLU H . 19262 1 17 . 1 1 4 4 GLU HA H 1 4.09 0.01 . 1 . . . A 4 GLU HA . 19262 1 18 . 1 1 4 4 GLU HB2 H 1 2.13 0.01 . 2 . . . A 4 GLU HB2 . 19262 1 19 . 1 1 4 4 GLU HB3 H 1 2.20 0.01 . 2 . . . A 4 GLU HB3 . 19262 1 20 . 1 1 4 4 GLU HG2 H 1 2.45 0.01 . 2 . . . A 4 GLU HG2 . 19262 1 21 . 1 1 4 4 GLU HG3 H 1 2.52 0.01 . 2 . . . A 4 GLU HG3 . 19262 1 22 . 1 1 5 5 LEU H H 1 7.56 0.01 . 1 . . . A 5 LEU H . 19262 1 23 . 1 1 5 5 LEU HA H 1 4.22 0.01 . 1 . . . A 5 LEU HA . 19262 1 24 . 1 1 5 5 LEU HB2 H 1 1.76 0.01 . 2 . . . A 5 LEU HB2 . 19262 1 25 . 1 1 5 5 LEU HB3 H 1 1.83 0.01 . 2 . . . A 5 LEU HB3 . 19262 1 26 . 1 1 5 5 LEU HG H 1 1.76 0.01 . 1 . . . A 5 LEU HG . 19262 1 27 . 1 1 5 5 LEU HD11 H 1 0.93 0.01 . 2 . . . A 5 LEU HD11 . 19262 1 28 . 1 1 5 5 LEU HD12 H 1 0.93 0.01 . 2 . . . A 5 LEU HD12 . 19262 1 29 . 1 1 5 5 LEU HD13 H 1 0.93 0.01 . 2 . . . A 5 LEU HD13 . 19262 1 30 . 1 1 5 5 LEU HD21 H 1 0.99 0.01 . 2 . . . A 5 LEU HD21 . 19262 1 31 . 1 1 5 5 LEU HD22 H 1 0.99 0.01 . 2 . . . A 5 LEU HD22 . 19262 1 32 . 1 1 5 5 LEU HD23 H 1 0.99 0.01 . 2 . . . A 5 LEU HD23 . 19262 1 33 . 1 1 5 5 LEU CD1 C 13 23.0 0.1 . 2 . . . A 5 LEU CD1 . 19262 1 34 . 1 1 5 5 LEU CD2 C 13 23.7 0.1 . 2 . . . A 5 LEU CD2 . 19262 1 35 . 1 1 6 6 LEU H H 1 7.91 0.01 . 1 . . . A 6 LEU H . 19262 1 36 . 1 1 6 6 LEU HA H 1 4.18 0.01 . 1 . . . A 6 LEU HA . 19262 1 37 . 1 1 6 6 LEU HB2 H 1 1.65 0.01 . 2 . . . A 6 LEU HB2 . 19262 1 38 . 1 1 6 6 LEU HB3 H 1 1.93 0.01 . 2 . . . A 6 LEU HB3 . 19262 1 39 . 1 1 6 6 LEU HG H 1 1.83 0.01 . 1 . . . A 6 LEU HG . 19262 1 40 . 1 1 6 6 LEU HD11 H 1 0.94 0.01 . 2 . . . A 6 LEU HD11 . 19262 1 41 . 1 1 6 6 LEU HD12 H 1 0.94 0.01 . 2 . . . A 6 LEU HD12 . 19262 1 42 . 1 1 6 6 LEU HD13 H 1 0.94 0.01 . 2 . . . A 6 LEU HD13 . 19262 1 43 . 1 1 6 6 LEU HD21 H 1 0.97 0.01 . 2 . . . A 6 LEU HD21 . 19262 1 44 . 1 1 6 6 LEU HD22 H 1 0.97 0.01 . 2 . . . A 6 LEU HD22 . 19262 1 45 . 1 1 6 6 LEU HD23 H 1 0.97 0.01 . 2 . . . A 6 LEU HD23 . 19262 1 46 . 1 1 6 6 LEU CD1 C 13 23.5 0.1 . 2 . . . A 6 LEU CD1 . 19262 1 47 . 1 1 6 6 LEU CD2 C 13 24.3 0.1 . 2 . . . A 6 LEU CD2 . 19262 1 48 . 1 1 7 7 GLU H H 1 7.92 0.01 . 1 . . . A 7 GLU H . 19262 1 49 . 1 1 7 7 GLU HA H 1 4.17 0.01 . 1 . . . A 7 GLU HA . 19262 1 50 . 1 1 7 7 GLU HB2 H 1 2.21 0.01 . 2 . . . A 7 GLU HB2 . 19262 1 51 . 1 1 7 7 GLU HB3 H 1 2.27 0.01 . 2 . . . A 7 GLU HB3 . 19262 1 52 . 1 1 7 7 GLU HG2 H 1 2.49 0.01 . 2 . . . A 7 GLU HG2 . 19262 1 53 . 1 1 7 7 GLU HG3 H 1 2.58 0.01 . 2 . . . A 7 GLU HG3 . 19262 1 54 . 1 1 8 8 LEU H H 1 8.17 0.01 . 1 . . . A 8 LEU H . 19262 1 55 . 1 1 8 8 LEU HA H 1 4.30 0.01 . 1 . . . A 8 LEU HA . 19262 1 56 . 1 1 8 8 LEU HB2 H 1 1.88 0.01 . 2 . . . A 8 LEU HB2 . 19262 1 57 . 1 1 8 8 LEU HB3 H 1 1.88 0.01 . 2 . . . A 8 LEU HB3 . 19262 1 58 . 1 1 8 8 LEU HG H 1 1.84 0.01 . 1 . . . A 8 LEU HG . 19262 1 59 . 1 1 8 8 LEU HD11 H 1 0.94 0.01 . 2 . . . A 8 LEU HD11 . 19262 1 60 . 1 1 8 8 LEU HD12 H 1 0.94 0.01 . 2 . . . A 8 LEU HD12 . 19262 1 61 . 1 1 8 8 LEU HD13 H 1 0.94 0.01 . 2 . . . A 8 LEU HD13 . 19262 1 62 . 1 1 8 8 LEU HD21 H 1 1.00 0.01 . 2 . . . A 8 LEU HD21 . 19262 1 63 . 1 1 8 8 LEU HD22 H 1 1.00 0.01 . 2 . . . A 8 LEU HD22 . 19262 1 64 . 1 1 8 8 LEU HD23 H 1 1.00 0.01 . 2 . . . A 8 LEU HD23 . 19262 1 65 . 1 1 8 8 LEU CD1 C 13 22.6 0.1 . 2 . . . A 8 LEU CD1 . 19262 1 66 . 1 1 8 8 LEU CD2 C 13 23.4 0.1 . 2 . . . A 8 LEU CD2 . 19262 1 67 . 1 1 9 9 ASP H H 1 8.48 0.01 . 1 . . . A 9 ASP H . 19262 1 68 . 1 1 9 9 ASP HA H 1 4.50 0.01 . 1 . . . A 9 ASP HA . 19262 1 69 . 1 1 9 9 ASP HB2 H 1 2.92 0.01 . 2 . . . A 9 ASP HB2 . 19262 1 70 . 1 1 9 9 ASP HB3 H 1 3.01 0.01 . 2 . . . A 9 ASP HB3 . 19262 1 71 . 1 1 10 10 LYS H H 1 8.17 0.01 . 1 . . . A 10 LYS H . 19262 1 72 . 1 1 10 10 LYS HA H 1 4.09 0.01 . 1 . . . A 10 LYS HA . 19262 1 73 . 1 1 10 10 LYS HB2 H 1 2.00 0.01 . 2 . . . A 10 LYS HB2 . 19262 1 74 . 1 1 10 10 LYS HB3 H 1 2.07 0.01 . 2 . . . A 10 LYS HB3 . 19262 1 75 . 1 1 10 10 LYS HG2 H 1 1.42 0.01 . 2 . . . A 10 LYS HG2 . 19262 1 76 . 1 1 10 10 LYS HG3 H 1 1.60 0.01 . 2 . . . A 10 LYS HG3 . 19262 1 77 . 1 1 10 10 LYS HD2 H 1 1.68 0.01 . 2 . . . A 10 LYS HD2 . 19262 1 78 . 1 1 10 10 LYS HD3 H 1 1.68 0.01 . 2 . . . A 10 LYS HD3 . 19262 1 79 . 1 1 10 10 LYS HE2 H 1 2.88 0.01 . 2 . . . A 10 LYS HE2 . 19262 1 80 . 1 1 10 10 LYS HE3 H 1 2.88 0.01 . 2 . . . A 10 LYS HE3 . 19262 1 81 . 1 1 10 10 LYS CE C 13 42.1 0.1 . 1 . . . A 10 LYS CE . 19262 1 82 . 1 1 11 11 TRP H H 1 8.33 0.01 . 1 . . . A 11 TRP H . 19262 1 83 . 1 1 11 11 TRP HA H 1 4.48 0.01 . 1 . . . A 11 TRP HA . 19262 1 84 . 1 1 11 11 TRP HB2 H 1 3.40 0.01 . 2 . . . A 11 TRP HB2 . 19262 1 85 . 1 1 11 11 TRP HB3 H 1 3.50 0.01 . 2 . . . A 11 TRP HB3 . 19262 1 86 . 1 1 11 11 TRP HD1 H 1 7.11 0.01 . 1 . . . A 11 TRP HD1 . 19262 1 87 . 1 1 11 11 TRP HE1 H 1 9.06 0.01 . 1 . . . A 11 TRP HE1 . 19262 1 88 . 1 1 11 11 TRP HE3 H 1 7.64 0.01 . 1 . . . A 11 TRP HE3 . 19262 1 89 . 1 1 11 11 TRP HZ2 H 1 7.11 0.01 . 1 . . . A 11 TRP HZ2 . 19262 1 90 . 1 1 11 11 TRP HZ3 H 1 7.04 0.01 . 1 . . . A 11 TRP HZ3 . 19262 1 91 . 1 1 11 11 TRP HH2 H 1 6.97 0.01 . 1 . . . A 11 TRP HH2 . 19262 1 92 . 1 1 12 12 ALA H H 1 9.12 0.01 . 1 . . . A 12 ALA H . 19262 1 93 . 1 1 12 12 ALA HA H 1 3.98 0.01 . 1 . . . A 12 ALA HA . 19262 1 94 . 1 1 12 12 ALA HB1 H 1 1.61 0.01 . 1 . . . A 12 ALA HB1 . 19262 1 95 . 1 1 12 12 ALA HB2 H 1 1.61 0.01 . 1 . . . A 12 ALA HB2 . 19262 1 96 . 1 1 12 12 ALA HB3 H 1 1.61 0.01 . 1 . . . A 12 ALA HB3 . 19262 1 97 . 1 1 12 12 ALA CB C 13 17.6 0.1 . 1 . . . A 12 ALA CB . 19262 1 98 . 1 1 13 13 SER H H 1 8.15 0.01 . 1 . . . A 13 SER H . 19262 1 99 . 1 1 13 13 SER HA H 1 4.32 0.01 . 1 . . . A 13 SER HA . 19262 1 100 . 1 1 14 14 LEU H H 1 7.99 0.01 . 1 . . . A 14 LEU H . 19262 1 101 . 1 1 14 14 LEU HA H 1 4.29 0.01 . 1 . . . A 14 LEU HA . 19262 1 102 . 1 1 14 14 LEU HB2 H 1 1.73 0.01 . 2 . . . A 14 LEU HB2 . 19262 1 103 . 1 1 14 14 LEU HB3 H 1 1.83 0.01 . 2 . . . A 14 LEU HB3 . 19262 1 104 . 1 1 14 14 LEU HG H 1 1.71 0.01 . 1 . . . A 14 LEU HG . 19262 1 105 . 1 1 14 14 LEU HD11 H 1 0.88 0.01 . 2 . . . A 14 LEU HD11 . 19262 1 106 . 1 1 14 14 LEU HD12 H 1 0.88 0.01 . 2 . . . A 14 LEU HD12 . 19262 1 107 . 1 1 14 14 LEU HD13 H 1 0.88 0.01 . 2 . . . A 14 LEU HD13 . 19262 1 108 . 1 1 14 14 LEU HD21 H 1 0.92 0.01 . 2 . . . A 14 LEU HD21 . 19262 1 109 . 1 1 14 14 LEU HD22 H 1 0.92 0.01 . 2 . . . A 14 LEU HD22 . 19262 1 110 . 1 1 14 14 LEU HD23 H 1 0.92 0.01 . 2 . . . A 14 LEU HD23 . 19262 1 111 . 1 1 14 14 LEU CD1 C 13 23.3 0.1 . 2 . . . A 14 LEU CD1 . 19262 1 112 . 1 1 14 14 LEU CD2 C 13 23.8 0.1 . 2 . . . A 14 LEU CD2 . 19262 1 113 . 1 1 15 15 TRP H H 1 8.62 0.01 . 1 . . . A 15 TRP H . 19262 1 114 . 1 1 15 15 TRP HA H 1 4.39 0.01 . 1 . . . A 15 TRP HA . 19262 1 115 . 1 1 15 15 TRP HB2 H 1 2.80 0.01 . 2 . . . A 15 TRP HB2 . 19262 1 116 . 1 1 15 15 TRP HB3 H 1 3.13 0.01 . 2 . . . A 15 TRP HB3 . 19262 1 117 . 1 1 15 15 TRP HD1 H 1 6.99 0.01 . 1 . . . A 15 TRP HD1 . 19262 1 118 . 1 1 15 15 TRP HE1 H 1 8.97 0.01 . 1 . . . A 15 TRP HE1 . 19262 1 119 . 1 1 15 15 TRP HE3 H 1 7.52 0.01 . 1 . . . A 15 TRP HE3 . 19262 1 120 . 1 1 15 15 TRP HZ2 H 1 7.44 0.01 . 1 . . . A 15 TRP HZ2 . 19262 1 121 . 1 1 15 15 TRP HZ3 H 1 7.06 0.01 . 1 . . . A 15 TRP HZ3 . 19262 1 122 . 1 1 15 15 TRP HH2 H 1 7.24 0.01 . 1 . . . A 15 TRP HH2 . 19262 1 123 . 1 1 16 16 ASN H H 1 8.46 0.01 . 1 . . . A 16 ASN H . 19262 1 124 . 1 1 16 16 ASN HA H 1 4.42 0.01 . 1 . . . A 16 ASN HA . 19262 1 125 . 1 1 16 16 ASN HB2 H 1 2.77 0.01 . 2 . . . A 16 ASN HB2 . 19262 1 126 . 1 1 16 16 ASN HB3 H 1 3.08 0.01 . 2 . . . A 16 ASN HB3 . 19262 1 127 . 1 1 16 16 ASN HD21 H 1 7.37 0.01 . 2 . . . A 16 ASN HD21 . 19262 1 128 . 1 1 16 16 ASN HD22 H 1 6.33 0.01 . 2 . . . A 16 ASN HD22 . 19262 1 129 . 1 1 17 17 TRP H H 1 8.30 0.01 . 1 . . . A 17 TRP H . 19262 1 130 . 1 1 17 17 TRP HA H 1 4.36 0.01 . 1 . . . A 17 TRP HA . 19262 1 131 . 1 1 17 17 TRP HB2 H 1 3.42 0.01 . 2 . . . A 17 TRP HB2 . 19262 1 132 . 1 1 17 17 TRP HB3 H 1 3.58 0.01 . 2 . . . A 17 TRP HB3 . 19262 1 133 . 1 1 17 17 TRP HD1 H 1 7.01 0.01 . 1 . . . A 17 TRP HD1 . 19262 1 134 . 1 1 17 17 TRP HE1 H 1 9.02 0.01 . 1 . . . A 17 TRP HE1 . 19262 1 135 . 1 1 17 17 TRP HE3 H 1 7.57 0.01 . 1 . . . A 17 TRP HE3 . 19262 1 136 . 1 1 17 17 TRP HZ2 H 1 7.37 0.01 . 1 . . . A 17 TRP HZ2 . 19262 1 137 . 1 1 17 17 TRP HZ3 H 1 7.07 0.01 . 1 . . . A 17 TRP HZ3 . 19262 1 138 . 1 1 17 17 TRP HH2 H 1 7.17 0.01 . 1 . . . A 17 TRP HH2 . 19262 1 139 . 1 1 18 18 PHE H H 1 9.14 0.01 . 1 . . . A 18 PHE H . 19262 1 140 . 1 1 18 18 PHE HA H 1 3.84 0.01 . 1 . . . A 18 PHE HA . 19262 1 141 . 1 1 18 18 PHE HB2 H 1 3.12 0.01 . 2 . . . A 18 PHE HB2 . 19262 1 142 . 1 1 18 18 PHE HB3 H 1 3.21 0.01 . 2 . . . A 18 PHE HB3 . 19262 1 143 . 1 1 18 18 PHE HD1 H 1 7.09 0.01 . 3 . . . A 18 PHE HD1 . 19262 1 144 . 1 1 18 18 PHE HD2 H 1 7.09 0.01 . 3 . . . A 18 PHE HD2 . 19262 1 145 . 1 1 18 18 PHE HE1 H 1 7.29 0.01 . 3 . . . A 18 PHE HE1 . 19262 1 146 . 1 1 18 18 PHE HE2 H 1 7.29 0.01 . 3 . . . A 18 PHE HE2 . 19262 1 147 . 1 1 19 19 ASN H H 1 7.99 0.01 . 1 . . . A 19 ASN H . 19262 1 148 . 1 1 19 19 ASN HA H 1 4.20 0.01 . 1 . . . A 19 ASN HA . 19262 1 149 . 1 1 19 19 ASN HB2 H 1 2.39 0.01 . 2 . . . A 19 ASN HB2 . 19262 1 150 . 1 1 19 19 ASN HB3 H 1 2.66 0.01 . 2 . . . A 19 ASN HB3 . 19262 1 151 . 1 1 20 20 ILE H H 1 8.45 0.01 . 1 . . . A 20 ILE H . 19262 1 152 . 1 1 20 20 ILE HA H 1 3.83 0.01 . 1 . . . A 20 ILE HA . 19262 1 153 . 1 1 20 20 ILE HB H 1 1.82 0.01 . 1 . . . A 20 ILE HB . 19262 1 154 . 1 1 20 20 ILE HG12 H 1 1.14 0.01 . 2 . . . A 20 ILE HG12 . 19262 1 155 . 1 1 20 20 ILE HG13 H 1 1.70 0.01 . 2 . . . A 20 ILE HG13 . 19262 1 156 . 1 1 20 20 ILE HG21 H 1 0.93 0.01 . 1 . . . A 20 ILE HG21 . 19262 1 157 . 1 1 20 20 ILE HG22 H 1 0.93 0.01 . 1 . . . A 20 ILE HG22 . 19262 1 158 . 1 1 20 20 ILE HG23 H 1 0.93 0.01 . 1 . . . A 20 ILE HG23 . 19262 1 159 . 1 1 20 20 ILE HD11 H 1 0.85 0.01 . 1 . . . A 20 ILE HD11 . 19262 1 160 . 1 1 20 20 ILE HD12 H 1 0.85 0.01 . 1 . . . A 20 ILE HD12 . 19262 1 161 . 1 1 20 20 ILE HD13 H 1 0.85 0.01 . 1 . . . A 20 ILE HD13 . 19262 1 162 . 1 1 20 20 ILE CG2 C 13 16.6 0.1 . 1 . . . A 20 ILE CG2 . 19262 1 163 . 1 1 20 20 ILE CD1 C 13 12.4 0.1 . 1 . . . A 20 ILE CD1 . 19262 1 164 . 1 1 21 21 THR H H 1 7.98 0.01 . 1 . . . A 21 THR H . 19262 1 165 . 1 1 21 21 THR HA H 1 3.73 0.01 . 1 . . . A 21 THR HA . 19262 1 166 . 1 1 21 21 THR HB H 1 3.71 0.01 . 1 . . . A 21 THR HB . 19262 1 167 . 1 1 21 21 THR HG21 H 1 0.70 0.01 . 1 . . . A 21 THR HG21 . 19262 1 168 . 1 1 21 21 THR HG22 H 1 0.70 0.01 . 1 . . . A 21 THR HG22 . 19262 1 169 . 1 1 21 21 THR HG23 H 1 0.70 0.01 . 1 . . . A 21 THR HG23 . 19262 1 170 . 1 1 21 21 THR CG2 C 13 20.4 0.1 . 1 . . . A 21 THR CG2 . 19262 1 171 . 1 1 22 22 ASN H H 1 7.62 0.01 . 1 . . . A 22 ASN H . 19262 1 172 . 1 1 22 22 ASN HA H 1 4.44 0.01 . 1 . . . A 22 ASN HA . 19262 1 173 . 1 1 22 22 ASN HB2 H 1 2.47 0.01 . 2 . . . A 22 ASN HB2 . 19262 1 174 . 1 1 22 22 ASN HB3 H 1 2.65 0.01 . 2 . . . A 22 ASN HB3 . 19262 1 175 . 1 1 22 22 ASN HD21 H 1 6.73 0.01 . 2 . . . A 22 ASN HD21 . 19262 1 176 . 1 1 22 22 ASN HD22 H 1 5.33 0.01 . 2 . . . A 22 ASN HD22 . 19262 1 177 . 1 1 23 23 TRP H H 1 7.99 0.01 . 1 . . . A 23 TRP H . 19262 1 178 . 1 1 23 23 TRP HB2 H 1 3.34 0.01 . 2 . . . A 23 TRP HB2 . 19262 1 179 . 1 1 23 23 TRP HB3 H 1 3.52 0.01 . 2 . . . A 23 TRP HB3 . 19262 1 180 . 1 1 23 23 TRP HD1 H 1 7.09 0.01 . 1 . . . A 23 TRP HD1 . 19262 1 181 . 1 1 23 23 TRP HE1 H 1 9.09 0.01 . 1 . . . A 23 TRP HE1 . 19262 1 182 . 1 1 23 23 TRP HE3 H 1 7.57 0.01 . 1 . . . A 23 TRP HE3 . 19262 1 183 . 1 1 23 23 TRP HZ2 H 1 7.37 0.01 . 1 . . . A 23 TRP HZ2 . 19262 1 184 . 1 1 23 23 TRP HZ3 H 1 7.01 0.01 . 1 . . . A 23 TRP HZ3 . 19262 1 185 . 1 1 23 23 TRP HH2 H 1 7.17 0.01 . 1 . . . A 23 TRP HH2 . 19262 1 186 . 1 1 24 24 LEU H H 1 8.46 0.01 . 1 . . . A 24 LEU H . 19262 1 187 . 1 1 24 24 LEU HA H 1 3.87 0.01 . 1 . . . A 24 LEU HA . 19262 1 188 . 1 1 24 24 LEU HB2 H 1 1.40 0.01 . 2 . . . A 24 LEU HB2 . 19262 1 189 . 1 1 24 24 LEU HB3 H 1 1.84 0.01 . 2 . . . A 24 LEU HB3 . 19262 1 190 . 1 1 24 24 LEU HG H 1 1.84 0.01 . 1 . . . A 24 LEU HG . 19262 1 191 . 1 1 24 24 LEU HD11 H 1 0.84 0.01 . 2 . . . A 24 LEU HD11 . 19262 1 192 . 1 1 24 24 LEU HD12 H 1 0.84 0.01 . 2 . . . A 24 LEU HD12 . 19262 1 193 . 1 1 24 24 LEU HD13 H 1 0.84 0.01 . 2 . . . A 24 LEU HD13 . 19262 1 194 . 1 1 24 24 LEU HD21 H 1 0.86 0.01 . 2 . . . A 24 LEU HD21 . 19262 1 195 . 1 1 24 24 LEU HD22 H 1 0.86 0.01 . 2 . . . A 24 LEU HD22 . 19262 1 196 . 1 1 24 24 LEU HD23 H 1 0.86 0.01 . 2 . . . A 24 LEU HD23 . 19262 1 197 . 1 1 24 24 LEU CD1 C 13 22.4 0.1 . 2 . . . A 24 LEU CD1 . 19262 1 198 . 1 1 24 24 LEU CD2 C 13 24.4 0.1 . 2 . . . A 24 LEU CD2 . 19262 1 199 . 1 1 25 25 TRP H H 1 8.11 0.01 . 1 . . . A 25 TRP H . 19262 1 200 . 1 1 25 25 TRP HA H 1 4.20 0.01 . 1 . . . A 25 TRP HA . 19262 1 201 . 1 1 25 25 TRP HB2 H 1 3.27 0.01 . 2 . . . A 25 TRP HB2 . 19262 1 202 . 1 1 25 25 TRP HB3 H 1 3.32 0.01 . 2 . . . A 25 TRP HB3 . 19262 1 203 . 1 1 25 25 TRP HD1 H 1 6.96 0.01 . 1 . . . A 25 TRP HD1 . 19262 1 204 . 1 1 25 25 TRP HE1 H 1 9.41 0.01 . 1 . . . A 25 TRP HE1 . 19262 1 205 . 1 1 25 25 TRP HE3 H 1 7.49 0.01 . 1 . . . A 25 TRP HE3 . 19262 1 206 . 1 1 25 25 TRP HZ2 H 1 7.42 0.01 . 1 . . . A 25 TRP HZ2 . 19262 1 207 . 1 1 25 25 TRP HZ3 H 1 7.11 0.01 . 1 . . . A 25 TRP HZ3 . 19262 1 208 . 1 1 25 25 TRP HH2 H 1 7.22 0.01 . 1 . . . A 25 TRP HH2 . 19262 1 209 . 1 1 26 26 TYR H H 1 7.84 0.01 . 1 . . . A 26 TYR H . 19262 1 210 . 1 1 26 26 TYR HA H 1 4.09 0.01 . 1 . . . A 26 TYR HA . 19262 1 211 . 1 1 26 26 TYR HB2 H 1 3.00 0.01 . 2 . . . A 26 TYR HB2 . 19262 1 212 . 1 1 26 26 TYR HB3 H 1 3.11 0.01 . 2 . . . A 26 TYR HB3 . 19262 1 213 . 1 1 26 26 TYR HD1 H 1 7.06 0.01 . 3 . . . A 26 TYR HD1 . 19262 1 214 . 1 1 26 26 TYR HD2 H 1 7.06 0.01 . 3 . . . A 26 TYR HD2 . 19262 1 215 . 1 1 26 26 TYR HE1 H 1 6.85 0.01 . 3 . . . A 26 TYR HE1 . 19262 1 216 . 1 1 26 26 TYR HE2 H 1 6.85 0.01 . 3 . . . A 26 TYR HE2 . 19262 1 217 . 1 1 27 27 ILE H H 1 8.11 0.01 . 1 . . . A 27 ILE H . 19262 1 218 . 1 1 27 27 ILE HA H 1 3.73 0.01 . 1 . . . A 27 ILE HA . 19262 1 219 . 1 1 27 27 ILE HB H 1 1.70 0.01 . 1 . . . A 27 ILE HB . 19262 1 220 . 1 1 27 27 ILE HG12 H 1 1.09 0.01 . 2 . . . A 27 ILE HG12 . 19262 1 221 . 1 1 27 27 ILE HG13 H 1 1.23 0.01 . 2 . . . A 27 ILE HG13 . 19262 1 222 . 1 1 27 27 ILE HG21 H 1 0.66 0.01 . 1 . . . A 27 ILE HG21 . 19262 1 223 . 1 1 27 27 ILE HG22 H 1 0.66 0.01 . 1 . . . A 27 ILE HG22 . 19262 1 224 . 1 1 27 27 ILE HG23 H 1 0.66 0.01 . 1 . . . A 27 ILE HG23 . 19262 1 225 . 1 1 27 27 ILE HD11 H 1 0.65 0.01 . 1 . . . A 27 ILE HD11 . 19262 1 226 . 1 1 27 27 ILE HD12 H 1 0.65 0.01 . 1 . . . A 27 ILE HD12 . 19262 1 227 . 1 1 27 27 ILE HD13 H 1 0.65 0.01 . 1 . . . A 27 ILE HD13 . 19262 1 228 . 1 1 27 27 ILE CG2 C 13 17.0 0.1 . 1 . . . A 27 ILE CG2 . 19262 1 229 . 1 1 27 27 ILE CD1 C 13 11.8 0.1 . 1 . . . A 27 ILE CD1 . 19262 1 230 . 1 1 28 28 LYS H H 1 8.00 0.01 . 1 . . . A 28 LYS H . 19262 1 231 . 1 1 28 28 LYS HA H 1 4.03 0.01 . 1 . . . A 28 LYS HA . 19262 1 232 . 1 1 28 28 LYS HB2 H 1 1.78 0.01 . 2 . . . A 28 LYS HB2 . 19262 1 233 . 1 1 28 28 LYS HB3 H 1 1.78 0.01 . 2 . . . A 28 LYS HB3 . 19262 1 234 . 1 1 28 28 LYS HG2 H 1 1.39 0.01 . 2 . . . A 28 LYS HG2 . 19262 1 235 . 1 1 28 28 LYS HG3 H 1 1.39 0.01 . 2 . . . A 28 LYS HG3 . 19262 1 236 . 1 1 28 28 LYS HD2 H 1 1.57 0.01 . 2 . . . A 28 LYS HD2 . 19262 1 237 . 1 1 28 28 LYS HD3 H 1 1.57 0.01 . 2 . . . A 28 LYS HD3 . 19262 1 238 . 1 1 28 28 LYS HE2 H 1 2.84 0.01 . 2 . . . A 28 LYS HE2 . 19262 1 239 . 1 1 28 28 LYS HE3 H 1 2.84 0.01 . 2 . . . A 28 LYS HE3 . 19262 1 240 . 1 1 28 28 LYS CE C 13 42.0 0.1 . 1 . . . A 28 LYS CE . 19262 1 stop_ save_