################################### # 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 19504 _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 . 19504 1 2 '2D 1H-1H TOCSY' 1 $sample_1 . 19504 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 ARG HA H 1 3.341 0.01 . 1 . . . A 1 ARG HA . 19504 1 2 . 1 1 1 1 ARG HB2 H 1 1.604 0.01 . 2 . . . A 1 ARG HB2 . 19504 1 3 . 1 1 1 1 ARG HB3 H 1 1.562 0.01 . 2 . . . A 1 ARG HB3 . 19504 1 4 . 1 1 1 1 ARG HG2 H 1 1.509 0.01 . 2 . . . A 1 ARG HG2 . 19504 1 5 . 1 1 1 1 ARG HG3 H 1 1.509 0.01 . 2 . . . A 1 ARG HG3 . 19504 1 6 . 1 1 1 1 ARG HD2 H 1 3.095 0.01 . 2 . . . A 1 ARG HD2 . 19504 1 7 . 1 1 1 1 ARG HD3 H 1 3.095 0.01 . 2 . . . A 1 ARG HD3 . 19504 1 8 . 1 1 1 1 ARG HE H 1 7.234 0.01 . 1 . . . A 1 ARG HE . 19504 1 9 . 1 1 2 2 TRP H H 1 9.010 0.02 . 1 . . . A 2 TRP H . 19504 1 10 . 1 1 2 2 TRP HA H 1 5.088 0.01 . 1 . . . A 2 TRP HA . 19504 1 11 . 1 1 2 2 TRP HB2 H 1 3.111 0.01 . 1 . . . A 2 TRP HB2 . 19504 1 12 . 1 1 2 2 TRP HB3 H 1 3.099 0.01 . 1 . . . A 2 TRP HB3 . 19504 1 13 . 1 1 2 2 TRP HD1 H 1 7.459 0.01 . 1 . . . A 2 TRP HD1 . 19504 1 14 . 1 1 2 2 TRP HE1 H 1 10.37 0.01 . 1 . . . A 2 TRP HE1 . 19504 1 15 . 1 1 2 2 TRP HE3 H 1 7.235 0.01 . 1 . . . A 2 TRP HE3 . 19504 1 16 . 1 1 2 2 TRP HZ2 H 1 7.375 0.01 . 1 . . . A 2 TRP HZ2 . 19504 1 17 . 1 1 2 2 TRP HZ3 H 1 7.076 0.01 . 1 . . . A 2 TRP HZ3 . 19504 1 18 . 1 1 2 2 TRP HH2 H 1 7.216 0.01 . 1 . . . A 2 TRP HH2 . 19504 1 19 . 1 1 3 3 LEU H H 1 9.506 0.02 . 1 . . . A 3 LEU H . 19504 1 20 . 1 1 3 3 LEU HA H 1 4.690 0.01 . 1 . . . A 3 LEU HA . 19504 1 21 . 1 1 3 3 LEU HB2 H 1 1.697 0.01 . 2 . . . A 3 LEU HB2 . 19504 1 22 . 1 1 3 3 LEU HB3 H 1 1.261 0.01 . 2 . . . A 3 LEU HB3 . 19504 1 23 . 1 1 3 3 LEU HG H 1 1.410 0.01 . 1 . . . A 3 LEU HG . 19504 1 24 . 1 1 3 3 LEU HD11 H 1 0.856 0.01 . 1 . . . A 3 LEU HD11 . 19504 1 25 . 1 1 3 3 LEU HD12 H 1 0.856 0.01 . 1 . . . A 3 LEU HD12 . 19504 1 26 . 1 1 3 3 LEU HD13 H 1 0.856 0.01 . 1 . . . A 3 LEU HD13 . 19504 1 27 . 1 1 3 3 LEU HD21 H 1 0.646 0.01 . 1 . . . A 3 LEU HD21 . 19504 1 28 . 1 1 3 3 LEU HD22 H 1 0.646 0.01 . 1 . . . A 3 LEU HD22 . 19504 1 29 . 1 1 3 3 LEU HD23 H 1 0.646 0.01 . 1 . . . A 3 LEU HD23 . 19504 1 30 . 1 1 4 4 CYS H H 1 8.997 0.02 . 1 . . . A 4 CYS H . 19504 1 31 . 1 1 4 4 CYS HA H 1 5.805 0.01 . 1 . . . A 4 CYS HA . 19504 1 32 . 1 1 4 4 CYS HB2 H 1 2.989 0.01 . 1 . . . A 4 CYS HB2 . 19504 1 33 . 1 1 4 4 CYS HB3 H 1 2.636 0.01 . 1 . . . A 4 CYS HB3 . 19504 1 34 . 1 1 5 5 ILE H H 1 9.319 0.02 . 1 . . . A 5 ILE H . 19504 1 35 . 1 1 5 5 ILE HA H 1 4.775 0.01 . 1 . . . A 5 ILE HA . 19504 1 36 . 1 1 5 5 ILE HB H 1 1.906 0.01 . 1 . . . A 5 ILE HB . 19504 1 37 . 1 1 5 5 ILE HG12 H 1 1.444 0.01 . 2 . . . A 5 ILE HG12 . 19504 1 38 . 1 1 5 5 ILE HG13 H 1 1.221 0.01 . 1 . . . A 5 ILE HG13 . 19504 1 39 . 1 1 5 5 ILE HG21 H 1 0.828 0.01 . 1 . . . A 5 ILE HG21 . 19504 1 40 . 1 1 5 5 ILE HG22 H 1 0.828 0.01 . 1 . . . A 5 ILE HG22 . 19504 1 41 . 1 1 5 5 ILE HG23 H 1 0.828 0.01 . 1 . . . A 5 ILE HG23 . 19504 1 42 . 1 1 5 5 ILE HD11 H 1 0.760 0.01 . 1 . . . A 5 ILE HD11 . 19504 1 43 . 1 1 5 5 ILE HD12 H 1 0.760 0.01 . 1 . . . A 5 ILE HD12 . 19504 1 44 . 1 1 5 5 ILE HD13 H 1 0.760 0.01 . 1 . . . A 5 ILE HD13 . 19504 1 45 . 1 1 6 6 TRP H H 1 8.606 0.02 . 1 . . . A 6 TRP H . 19504 1 46 . 1 1 6 6 TRP HA H 1 4.356 0.01 . 1 . . . A 6 TRP HA . 19504 1 47 . 1 1 6 6 TRP HB2 H 1 2.689 0.01 . 1 . . . A 6 TRP HB2 . 19504 1 48 . 1 1 6 6 TRP HB3 H 1 1.740 0.01 . 1 . . . A 6 TRP HB3 . 19504 1 49 . 1 1 6 6 TRP HD1 H 1 6.669 0.01 . 1 . . . A 6 TRP HD1 . 19504 1 50 . 1 1 6 6 TRP HE1 H 1 10.16 0.01 . 1 . . . A 6 TRP HE1 . 19504 1 51 . 1 1 6 6 TRP HE3 H 1 5.602 0.01 . 1 . . . A 6 TRP HE3 . 19504 1 52 . 1 1 6 6 TRP HZ2 H 1 7.370 0.01 . 1 . . . A 6 TRP HZ2 . 19504 1 53 . 1 1 6 6 TRP HZ3 H 1 6.734 0.01 . 1 . . . A 6 TRP HZ3 . 19504 1 54 . 1 1 6 6 TRP HH2 H 1 7.116 0.01 . 1 . . . A 6 TRP HH2 . 19504 1 55 . 1 1 7 7 LEU H H 1 7.784 0.02 . 1 . . . A 7 LEU H . 19504 1 56 . 1 1 7 7 LEU HA H 1 4.528 0.01 . 1 . . . A 7 LEU HA . 19504 1 57 . 1 1 7 7 LEU HB2 H 1 1.210 0.01 . 1 . . . A 7 LEU HB2 . 19504 1 58 . 1 1 7 7 LEU HB3 H 1 1.157 0.01 . 1 . . . A 7 LEU HB3 . 19504 1 59 . 1 1 7 7 LEU HG H 1 1.428 0.01 . 1 . . . A 7 LEU HG . 19504 1 60 . 1 1 7 7 LEU HD11 H 1 0.802 0.01 . 2 . . . A 7 LEU HD11 . 19504 1 61 . 1 1 7 7 LEU HD12 H 1 0.802 0.01 . 2 . . . A 7 LEU HD12 . 19504 1 62 . 1 1 7 7 LEU HD13 H 1 0.802 0.01 . 2 . . . A 7 LEU HD13 . 19504 1 63 . 1 1 7 7 LEU HD21 H 1 0.802 0.01 . 2 . . . A 7 LEU HD21 . 19504 1 64 . 1 1 7 7 LEU HD22 H 1 0.802 0.01 . 2 . . . A 7 LEU HD22 . 19504 1 65 . 1 1 7 7 LEU HD23 H 1 0.802 0.01 . 2 . . . A 7 LEU HD23 . 19504 1 66 . 1 1 8 8 SER H H 1 8.678 0.02 . 1 . . . A 8 SER H . 19504 1 67 . 1 1 8 8 SER HA H 1 4.275 0.01 . 1 . . . A 8 SER HA . 19504 1 68 . 1 1 8 8 SER HB2 H 1 4.021 0.01 . 2 . . . A 8 SER HB2 . 19504 1 69 . 1 1 8 8 SER HB3 H 1 4.010 0.01 . 2 . . . A 8 SER HB3 . 19504 1 70 . 1 1 9 9 ASP H H 1 9.066 0.02 . 1 . . . A 9 ASP H . 19504 1 71 . 1 1 9 9 ASP HA H 1 4.175 0.01 . 1 . . . A 9 ASP HA . 19504 1 72 . 1 1 9 9 ASP HB2 H 1 2.782 0.01 . 2 . . . A 9 ASP HB2 . 19504 1 73 . 1 1 9 9 ASP HB3 H 1 2.779 0.01 . 2 . . . A 9 ASP HB3 . 19504 1 74 . 1 1 10 10 GLN H H 1 8.689 0.02 . 1 . . . A 10 GLN H . 19504 1 75 . 1 1 10 10 GLN HA H 1 3.958 0.01 . 1 . . . A 10 GLN HA . 19504 1 76 . 1 1 10 10 GLN HB2 H 1 2.080 0.01 . 2 . . . A 10 GLN HB2 . 19504 1 77 . 1 1 10 10 GLN HB3 H 1 1.898 0.01 . 2 . . . A 10 GLN HB3 . 19504 1 78 . 1 1 10 10 GLN HG2 H 1 2.321 0.01 . 2 . . . A 10 GLN HG2 . 19504 1 79 . 1 1 10 10 GLN HG3 H 1 2.321 0.01 . 2 . . . A 10 GLN HG3 . 19504 1 80 . 1 1 10 10 GLN HE21 H 1 6.994 0.01 . 1 . . . A 10 GLN HE21 . 19504 1 81 . 1 1 10 10 GLN HE22 H 1 7.495 0.01 . 1 . . . A 10 GLN HE22 . 19504 1 82 . 1 1 11 11 THR H H 1 8.000 0.02 . 1 . . . A 11 THR H . 19504 1 83 . 1 1 11 11 THR HA H 1 4.045 0.01 . 1 . . . A 11 THR HA . 19504 1 84 . 1 1 11 11 THR HB H 1 3.852 0.01 . 1 . . . A 11 THR HB . 19504 1 85 . 1 1 11 11 THR HG21 H 1 1.207 0.01 . 1 . . . A 11 THR HG21 . 19504 1 86 . 1 1 11 11 THR HG22 H 1 1.207 0.01 . 1 . . . A 11 THR HG22 . 19504 1 87 . 1 1 11 11 THR HG23 H 1 1.207 0.01 . 1 . . . A 11 THR HG23 . 19504 1 88 . 1 1 12 12 LEU H H 1 8.482 0.02 . 1 . . . A 12 LEU H . 19504 1 89 . 1 1 12 12 LEU HA H 1 3.832 0.01 . 1 . . . A 12 LEU HA . 19504 1 90 . 1 1 12 12 LEU HB2 H 1 1.436 0.01 . 2 . . . A 12 LEU HB2 . 19504 1 91 . 1 1 12 12 LEU HB3 H 1 1.408 0.01 . 2 . . . A 12 LEU HB3 . 19504 1 92 . 1 1 12 12 LEU HG H 1 1.671 0.01 . 1 . . . A 12 LEU HG . 19504 1 93 . 1 1 12 12 LEU HD11 H 1 0.740 0.01 . 1 . . . A 12 LEU HD11 . 19504 1 94 . 1 1 12 12 LEU HD12 H 1 0.740 0.01 . 1 . . . A 12 LEU HD12 . 19504 1 95 . 1 1 12 12 LEU HD13 H 1 0.740 0.01 . 1 . . . A 12 LEU HD13 . 19504 1 96 . 1 1 12 12 LEU HD21 H 1 0.617 0.01 . 1 . . . A 12 LEU HD21 . 19504 1 97 . 1 1 12 12 LEU HD22 H 1 0.617 0.01 . 1 . . . A 12 LEU HD22 . 19504 1 98 . 1 1 12 12 LEU HD23 H 1 0.617 0.01 . 1 . . . A 12 LEU HD23 . 19504 1 99 . 1 1 13 13 GLU H H 1 8.242 0.02 . 1 . . . A 13 GLU H . 19504 1 100 . 1 1 13 13 GLU HA H 1 4.031 0.01 . 1 . . . A 13 GLU HA . 19504 1 101 . 1 1 13 13 GLU HB2 H 1 2.149 0.01 . 2 . . . A 13 GLU HB2 . 19504 1 102 . 1 1 13 13 GLU HB3 H 1 2.067 0.01 . 2 . . . A 13 GLU HB3 . 19504 1 103 . 1 1 13 13 GLU HG2 H 1 2.527 0.01 . 2 . . . A 13 GLU HG2 . 19504 1 104 . 1 1 13 13 GLU HG3 H 1 2.459 0.01 . 2 . . . A 13 GLU HG3 . 19504 1 105 . 1 1 14 14 ASP H H 1 8.128 0.02 . 1 . . . A 14 ASP H . 19504 1 106 . 1 1 14 14 ASP HA H 1 4.384 0.01 . 1 . . . A 14 ASP HA . 19504 1 107 . 1 1 14 14 ASP HB2 H 1 3.101 0.01 . 2 . . . A 14 ASP HB2 . 19504 1 108 . 1 1 14 14 ASP HB3 H 1 2.917 0.01 . 2 . . . A 14 ASP HB3 . 19504 1 109 . 1 1 15 15 LEU H H 1 8.721 0.02 . 1 . . . A 15 LEU H . 19504 1 110 . 1 1 15 15 LEU HA H 1 4.018 0.01 . 1 . . . A 15 LEU HA . 19504 1 111 . 1 1 15 15 LEU HB2 H 1 1.443 0.01 . 2 . . . A 15 LEU HB2 . 19504 1 112 . 1 1 15 15 LEU HB3 H 1 1.401 0.01 . 2 . . . A 15 LEU HB3 . 19504 1 113 . 1 1 15 15 LEU HG H 1 1.401 0.01 . 1 . . . A 15 LEU HG . 19504 1 114 . 1 1 15 15 LEU HD11 H 1 0.923 0.01 . 1 . . . A 15 LEU HD11 . 19504 1 115 . 1 1 15 15 LEU HD12 H 1 0.923 0.01 . 1 . . . A 15 LEU HD12 . 19504 1 116 . 1 1 15 15 LEU HD13 H 1 0.923 0.01 . 1 . . . A 15 LEU HD13 . 19504 1 117 . 1 1 15 15 LEU HD21 H 1 0.737 0.01 . 1 . . . A 15 LEU HD21 . 19504 1 118 . 1 1 15 15 LEU HD22 H 1 0.737 0.01 . 1 . . . A 15 LEU HD22 . 19504 1 119 . 1 1 15 15 LEU HD23 H 1 0.737 0.01 . 1 . . . A 15 LEU HD23 . 19504 1 120 . 1 1 16 16 GLU H H 1 8.468 0.02 . 1 . . . A 16 GLU H . 19504 1 121 . 1 1 16 16 GLU HA H 1 3.919 0.01 . 1 . . . A 16 GLU HA . 19504 1 122 . 1 1 16 16 GLU HB2 H 1 2.239 0.01 . 2 . . . A 16 GLU HB2 . 19504 1 123 . 1 1 16 16 GLU HB3 H 1 2.058 0.01 . 2 . . . A 16 GLU HB3 . 19504 1 124 . 1 1 16 16 GLU HG2 H 1 2.554 0.01 . 2 . . . A 16 GLU HG2 . 19504 1 125 . 1 1 16 16 GLU HG3 H 1 2.455 0.01 . 2 . . . A 16 GLU HG3 . 19504 1 126 . 1 1 17 17 LYS H H 1 8.128 0.02 . 1 . . . A 17 LYS H . 19504 1 127 . 1 1 17 17 LYS HA H 1 3.988 0.01 . 1 . . . A 17 LYS HA . 19504 1 128 . 1 1 17 17 LYS HB2 H 1 1.969 0.01 . 2 . . . A 17 LYS HB2 . 19504 1 129 . 1 1 17 17 LYS HB3 H 1 1.898 0.01 . 2 . . . A 17 LYS HB3 . 19504 1 130 . 1 1 17 17 LYS HG2 H 1 1.681 0.01 . 2 . . . A 17 LYS HG2 . 19504 1 131 . 1 1 17 17 LYS HG3 H 1 1.398 0.01 . 2 . . . A 17 LYS HG3 . 19504 1 132 . 1 1 17 17 LYS HD2 H 1 1.686 0.01 . 2 . . . A 17 LYS HD2 . 19504 1 133 . 1 1 17 17 LYS HD3 H 1 1.686 0.01 . 2 . . . A 17 LYS HD3 . 19504 1 134 . 1 1 17 17 LYS HE2 H 1 2.956 0.01 . 2 . . . A 17 LYS HE2 . 19504 1 135 . 1 1 17 17 LYS HE3 H 1 2.956 0.01 . 2 . . . A 17 LYS HE3 . 19504 1 136 . 1 1 18 18 MET H H 1 8.403 0.02 . 1 . . . A 18 MET H . 19504 1 137 . 1 1 18 18 MET HA H 1 4.115 0.01 . 1 . . . A 18 MET HA . 19504 1 138 . 1 1 18 18 MET HB2 H 1 2.290 0.01 . 2 . . . A 18 MET HB2 . 19504 1 139 . 1 1 18 18 MET HB3 H 1 2.178 0.01 . 2 . . . A 18 MET HB3 . 19504 1 140 . 1 1 18 18 MET HG2 H 1 2.732 0.01 . 2 . . . A 18 MET HG2 . 19504 1 141 . 1 1 18 18 MET HG3 H 1 2.717 0.01 . 2 . . . A 18 MET HG3 . 19504 1 142 . 1 1 18 18 MET HE1 H 1 2.097 0.01 . 1 . . . A 18 MET HE1 . 19504 1 143 . 1 1 18 18 MET HE2 H 1 2.097 0.01 . 1 . . . A 18 MET HE2 . 19504 1 144 . 1 1 18 18 MET HE3 H 1 2.097 0.01 . 1 . . . A 18 MET HE3 . 19504 1 145 . 1 1 19 19 ALA H H 1 8.719 0.02 . 1 . . . A 19 ALA H . 19504 1 146 . 1 1 19 19 ALA HA H 1 3.783 0.01 . 1 . . . A 19 ALA HA . 19504 1 147 . 1 1 19 19 ALA HB1 H 1 1.318 0.01 . 1 . . . A 19 ALA HB1 . 19504 1 148 . 1 1 19 19 ALA HB2 H 1 1.318 0.01 . 1 . . . A 19 ALA HB2 . 19504 1 149 . 1 1 19 19 ALA HB3 H 1 1.318 0.01 . 1 . . . A 19 ALA HB3 . 19504 1 150 . 1 1 20 20 ARG H H 1 7.889 0.02 . 1 . . . A 20 ARG H . 19504 1 151 . 1 1 20 20 ARG HA H 1 4.121 0.01 . 1 . . . A 20 ARG HA . 19504 1 152 . 1 1 20 20 ARG HB2 H 1 1.959 0.01 . 2 . . . A 20 ARG HB2 . 19504 1 153 . 1 1 20 20 ARG HB3 H 1 1.898 0.01 . 2 . . . A 20 ARG HB3 . 19504 1 154 . 1 1 20 20 ARG HG2 H 1 1.758 0.01 . 2 . . . A 20 ARG HG2 . 19504 1 155 . 1 1 20 20 ARG HG3 H 1 1.649 0.01 . 2 . . . A 20 ARG HG3 . 19504 1 156 . 1 1 20 20 ARG HD2 H 1 3.210 0.01 . 2 . . . A 20 ARG HD2 . 19504 1 157 . 1 1 20 20 ARG HD3 H 1 3.210 0.01 . 2 . . . A 20 ARG HD3 . 19504 1 158 . 1 1 20 20 ARG HE H 1 7.244 0.01 . 1 . . . A 20 ARG HE . 19504 1 159 . 1 1 21 21 ARG H H 1 7.968 0.02 . 1 . . . A 21 ARG H . 19504 1 160 . 1 1 21 21 ARG HA H 1 4.080 0.01 . 1 . . . A 21 ARG HA . 19504 1 161 . 1 1 21 21 ARG HB2 H 1 2.030 0.01 . 2 . . . A 21 ARG HB2 . 19504 1 162 . 1 1 21 21 ARG HB3 H 1 2.030 0.01 . 2 . . . A 21 ARG HB3 . 19504 1 163 . 1 1 21 21 ARG HG2 H 1 1.742 0.01 . 2 . . . A 21 ARG HG2 . 19504 1 164 . 1 1 21 21 ARG HG3 H 1 1.685 0.01 . 2 . . . A 21 ARG HG3 . 19504 1 165 . 1 1 21 21 ARG HD2 H 1 3.222 0.01 . 2 . . . A 21 ARG HD2 . 19504 1 166 . 1 1 21 21 ARG HD3 H 1 3.222 0.01 . 2 . . . A 21 ARG HD3 . 19504 1 167 . 1 1 21 21 ARG HE H 1 7.305 0.01 . 1 . . . A 21 ARG HE . 19504 1 168 . 1 1 22 22 GLU H H 1 8.035 0.02 . 1 . . . A 22 GLU H . 19504 1 169 . 1 1 22 22 GLU HA H 1 4.389 0.01 . 1 . . . A 22 GLU HA . 19504 1 170 . 1 1 22 22 GLU HB2 H 1 2.325 0.01 . 2 . . . A 22 GLU HB2 . 19504 1 171 . 1 1 22 22 GLU HB3 H 1 1.834 0.01 . 2 . . . A 22 GLU HB3 . 19504 1 172 . 1 1 22 22 GLU HG2 H 1 2.612 0.01 . 2 . . . A 22 GLU HG2 . 19504 1 173 . 1 1 22 22 GLU HG3 H 1 2.487 0.01 . 2 . . . A 22 GLU HG3 . 19504 1 174 . 1 1 23 23 GLY H H 1 7.912 0.02 . 1 . . . A 23 GLY H . 19504 1 175 . 1 1 23 23 GLY HA2 H 1 3.943 0.01 . 1 . . . A 23 GLY HA2 . 19504 1 176 . 1 1 23 23 GLY HA3 H 1 3.916 0.01 . 1 . . . A 23 GLY HA3 . 19504 1 177 . 1 1 24 24 LEU H H 1 8.149 0.02 . 1 . . . A 24 LEU H . 19504 1 178 . 1 1 24 24 LEU HA H 1 4.840 0.01 . 1 . . . A 24 LEU HA . 19504 1 179 . 1 1 24 24 LEU HB2 H 1 1.508 0.01 . 2 . . . A 24 LEU HB2 . 19504 1 180 . 1 1 24 24 LEU HB3 H 1 1.441 0.01 . 2 . . . A 24 LEU HB3 . 19504 1 181 . 1 1 24 24 LEU HG H 1 1.693 0.01 . 1 . . . A 24 LEU HG . 19504 1 182 . 1 1 24 24 LEU HD11 H 1 0.871 0.01 . 1 . . . A 24 LEU HD11 . 19504 1 183 . 1 1 24 24 LEU HD12 H 1 0.871 0.01 . 1 . . . A 24 LEU HD12 . 19504 1 184 . 1 1 24 24 LEU HD13 H 1 0.871 0.01 . 1 . . . A 24 LEU HD13 . 19504 1 185 . 1 1 24 24 LEU HD21 H 1 0.826 0.01 . 1 . . . A 24 LEU HD21 . 19504 1 186 . 1 1 24 24 LEU HD22 H 1 0.826 0.01 . 1 . . . A 24 LEU HD22 . 19504 1 187 . 1 1 24 24 LEU HD23 H 1 0.826 0.01 . 1 . . . A 24 LEU HD23 . 19504 1 188 . 1 1 25 25 SER H H 1 8.182 0.02 . 1 . . . A 25 SER H . 19504 1 189 . 1 1 25 25 SER HA H 1 4.563 0.01 . 1 . . . A 25 SER HA . 19504 1 190 . 1 1 25 25 SER HB2 H 1 4.463 0.01 . 2 . . . A 25 SER HB2 . 19504 1 191 . 1 1 25 25 SER HB3 H 1 4.011 0.01 . 2 . . . A 25 SER HB3 . 19504 1 192 . 1 1 26 26 LYS H H 1 9.270 0.02 . 1 . . . A 26 LYS H . 19504 1 193 . 1 1 26 26 LYS HA H 1 3.697 0.01 . 1 . . . A 26 LYS HA . 19504 1 194 . 1 1 26 26 LYS HB2 H 1 2.014 0.01 . 2 . . . A 26 LYS HB2 . 19504 1 195 . 1 1 26 26 LYS HB3 H 1 1.827 0.01 . 2 . . . A 26 LYS HB3 . 19504 1 196 . 1 1 26 26 LYS HG2 H 1 1.469 0.01 . 2 . . . A 26 LYS HG2 . 19504 1 197 . 1 1 26 26 LYS HG3 H 1 1.154 0.01 . 2 . . . A 26 LYS HG3 . 19504 1 198 . 1 1 26 26 LYS HD2 H 1 1.824 0.01 . 1 . . . A 26 LYS HD2 . 19504 1 199 . 1 1 26 26 LYS HD3 H 1 1.522 0.01 . 1 . . . A 26 LYS HD3 . 19504 1 200 . 1 1 26 26 LYS HE2 H 1 3.069 0.01 . 2 . . . A 26 LYS HE2 . 19504 1 201 . 1 1 26 26 LYS HE3 H 1 3.027 0.01 . 2 . . . A 26 LYS HE3 . 19504 1 202 . 1 1 27 27 SER H H 1 8.615 0.02 . 1 . . . A 27 SER H . 19504 1 203 . 1 1 27 27 SER HA H 1 3.972 0.01 . 1 . . . A 27 SER HA . 19504 1 204 . 1 1 27 27 SER HB2 H 1 4.142 0.01 . 2 . . . A 27 SER HB2 . 19504 1 205 . 1 1 27 27 SER HB3 H 1 4.039 0.01 . 2 . . . A 27 SER HB3 . 19504 1 206 . 1 1 28 28 GLU H H 1 7.969 0.02 . 1 . . . A 28 GLU H . 19504 1 207 . 1 1 28 28 GLU HA H 1 4.169 0.01 . 1 . . . A 28 GLU HA . 19504 1 208 . 1 1 28 28 GLU HB2 H 1 2.294 0.01 . 2 . . . A 28 GLU HB2 . 19504 1 209 . 1 1 28 28 GLU HB3 H 1 2.090 0.01 . 2 . . . A 28 GLU HB3 . 19504 1 210 . 1 1 28 28 GLU HG2 H 1 2.629 0.01 . 2 . . . A 28 GLU HG2 . 19504 1 211 . 1 1 28 28 GLU HG3 H 1 2.518 0.01 . 2 . . . A 28 GLU HG3 . 19504 1 212 . 1 1 29 29 MET H H 1 8.768 0.02 . 1 . . . A 29 MET H . 19504 1 213 . 1 1 29 29 MET HA H 1 4.239 0.01 . 1 . . . A 29 MET HA . 19504 1 214 . 1 1 29 29 MET HB2 H 1 1.831 0.01 . 2 . . . A 29 MET HB2 . 19504 1 215 . 1 1 29 29 MET HB3 H 1 1.716 0.01 . 2 . . . A 29 MET HB3 . 19504 1 216 . 1 1 29 29 MET HG2 H 1 2.648 0.01 . 2 . . . A 29 MET HG2 . 19504 1 217 . 1 1 29 29 MET HG3 H 1 2.294 0.01 . 2 . . . A 29 MET HG3 . 19504 1 218 . 1 1 29 29 MET HE1 H 1 1.722 0.01 . 1 . . . A 29 MET HE1 . 19504 1 219 . 1 1 29 29 MET HE2 H 1 1.722 0.01 . 1 . . . A 29 MET HE2 . 19504 1 220 . 1 1 29 29 MET HE3 H 1 1.722 0.01 . 1 . . . A 29 MET HE3 . 19504 1 221 . 1 1 30 30 ILE H H 1 7.966 0.02 . 1 . . . A 30 ILE H . 19504 1 222 . 1 1 30 30 ILE HA H 1 3.375 0.01 . 1 . . . A 30 ILE HA . 19504 1 223 . 1 1 30 30 ILE HB H 1 1.915 0.01 . 1 . . . A 30 ILE HB . 19504 1 224 . 1 1 30 30 ILE HG12 H 1 0.921 0.01 . 1 . . . A 30 ILE HG12 . 19504 1 225 . 1 1 30 30 ILE HG13 H 1 0.921 0.01 . 1 . . . A 30 ILE HG13 . 19504 1 226 . 1 1 30 30 ILE HG21 H 1 0.756 0.01 . 1 . . . A 30 ILE HG21 . 19504 1 227 . 1 1 30 30 ILE HG22 H 1 0.756 0.01 . 1 . . . A 30 ILE HG22 . 19504 1 228 . 1 1 30 30 ILE HG23 H 1 0.756 0.01 . 1 . . . A 30 ILE HG23 . 19504 1 229 . 1 1 30 30 ILE HD11 H 1 0.762 0.01 . 1 . . . A 30 ILE HD11 . 19504 1 230 . 1 1 30 30 ILE HD12 H 1 0.762 0.01 . 1 . . . A 30 ILE HD12 . 19504 1 231 . 1 1 30 30 ILE HD13 H 1 0.762 0.01 . 1 . . . A 30 ILE HD13 . 19504 1 232 . 1 1 31 31 ASN H H 1 7.862 0.02 . 1 . . . A 31 ASN H . 19504 1 233 . 1 1 31 31 ASN HA H 1 4.236 0.01 . 1 . . . A 31 ASN HA . 19504 1 234 . 1 1 31 31 ASN HB2 H 1 2.931 0.01 . 2 . . . A 31 ASN HB2 . 19504 1 235 . 1 1 31 31 ASN HB3 H 1 2.877 0.01 . 2 . . . A 31 ASN HB3 . 19504 1 236 . 1 1 31 31 ASN HD21 H 1 7.093 0.01 . 1 . . . A 31 ASN HD21 . 19504 1 237 . 1 1 31 31 ASN HD22 H 1 7.572 0.01 . 1 . . . A 31 ASN HD22 . 19504 1 238 . 1 1 32 32 VAL H H 1 8.463 0.02 . 1 . . . A 32 VAL H . 19504 1 239 . 1 1 32 32 VAL HA H 1 3.708 0.01 . 1 . . . A 32 VAL HA . 19504 1 240 . 1 1 32 32 VAL HB H 1 1.990 0.01 . 1 . . . A 32 VAL HB . 19504 1 241 . 1 1 32 32 VAL HG11 H 1 1.025 0.01 . 1 . . . A 32 VAL HG11 . 19504 1 242 . 1 1 32 32 VAL HG12 H 1 1.025 0.01 . 1 . . . A 32 VAL HG12 . 19504 1 243 . 1 1 32 32 VAL HG13 H 1 1.025 0.01 . 1 . . . A 32 VAL HG13 . 19504 1 244 . 1 1 32 32 VAL HG21 H 1 0.756 0.01 . 1 . . . A 32 VAL HG21 . 19504 1 245 . 1 1 32 32 VAL HG22 H 1 0.756 0.01 . 1 . . . A 32 VAL HG22 . 19504 1 246 . 1 1 32 32 VAL HG23 H 1 0.756 0.01 . 1 . . . A 32 VAL HG23 . 19504 1 247 . 1 1 33 33 ALA H H 1 8.285 0.02 . 1 . . . A 33 ALA H . 19504 1 248 . 1 1 33 33 ALA HA H 1 3.815 0.01 . 1 . . . A 33 ALA HA . 19504 1 249 . 1 1 33 33 ALA HB1 H 1 1.167 0.01 . 1 . . . A 33 ALA HB1 . 19504 1 250 . 1 1 33 33 ALA HB2 H 1 1.167 0.01 . 1 . . . A 33 ALA HB2 . 19504 1 251 . 1 1 33 33 ALA HB3 H 1 1.167 0.01 . 1 . . . A 33 ALA HB3 . 19504 1 252 . 1 1 34 34 LEU H H 1 8.506 0.02 . 1 . . . A 34 LEU H . 19504 1 253 . 1 1 34 34 LEU HA H 1 3.952 0.01 . 1 . . . A 34 LEU HA . 19504 1 254 . 1 1 34 34 LEU HB2 H 1 2.058 0.01 . 2 . . . A 34 LEU HB2 . 19504 1 255 . 1 1 34 34 LEU HB3 H 1 1.822 0.01 . 2 . . . A 34 LEU HB3 . 19504 1 256 . 1 1 34 34 LEU HG H 1 1.351 0.01 . 1 . . . A 34 LEU HG . 19504 1 257 . 1 1 34 34 LEU HD11 H 1 0.735 0.01 . 1 . . . A 34 LEU HD11 . 19504 1 258 . 1 1 34 34 LEU HD12 H 1 0.735 0.01 . 1 . . . A 34 LEU HD12 . 19504 1 259 . 1 1 34 34 LEU HD13 H 1 0.735 0.01 . 1 . . . A 34 LEU HD13 . 19504 1 260 . 1 1 34 34 LEU HD21 H 1 0.677 0.01 . 1 . . . A 34 LEU HD21 . 19504 1 261 . 1 1 34 34 LEU HD22 H 1 0.677 0.01 . 1 . . . A 34 LEU HD22 . 19504 1 262 . 1 1 34 34 LEU HD23 H 1 0.677 0.01 . 1 . . . A 34 LEU HD23 . 19504 1 263 . 1 1 35 35 GLN H H 1 8.340 0.02 . 1 . . . A 35 GLN H . 19504 1 264 . 1 1 35 35 GLN HA H 1 3.999 0.01 . 1 . . . A 35 GLN HA . 19504 1 265 . 1 1 35 35 GLN HB2 H 1 2.108 0.01 . 2 . . . A 35 GLN HB2 . 19504 1 266 . 1 1 35 35 GLN HB3 H 1 2.006 0.01 . 2 . . . A 35 GLN HB3 . 19504 1 267 . 1 1 35 35 GLN HG2 H 1 2.552 0.01 . 2 . . . A 35 GLN HG2 . 19504 1 268 . 1 1 35 35 GLN HG3 H 1 2.330 0.01 . 2 . . . A 35 GLN HG3 . 19504 1 269 . 1 1 35 35 GLN HE21 H 1 6.787 0.01 . 1 . . . A 35 GLN HE21 . 19504 1 270 . 1 1 35 35 GLN HE22 H 1 7.375 0.01 . 1 . . . A 35 GLN HE22 . 19504 1 271 . 1 1 36 36 HIS H H 1 7.859 0.02 . 1 . . . A 36 HIS H . 19504 1 272 . 1 1 36 36 HIS HA H 1 4.525 0.01 . 1 . . . A 36 HIS HA . 19504 1 273 . 1 1 36 36 HIS HB2 H 1 3.653 0.01 . 2 . . . A 36 HIS HB2 . 19504 1 274 . 1 1 36 36 HIS HB3 H 1 3.182 0.01 . 2 . . . A 36 HIS HB3 . 19504 1 275 . 1 1 36 36 HIS HD2 H 1 7.577 0.01 . 1 . . . A 36 HIS HD2 . 19504 1 276 . 1 1 36 36 HIS HE1 H 1 8.696 0.01 . 1 . . . A 36 HIS HE1 . 19504 1 277 . 1 1 37 37 TYR H H 1 7.655 0.02 . 1 . . . A 37 TYR H . 19504 1 278 . 1 1 37 37 TYR HA H 1 4.298 0.01 . 1 . . . A 37 TYR HA . 19504 1 279 . 1 1 37 37 TYR HB2 H 1 3.241 0.01 . 1 . . . A 37 TYR HB2 . 19504 1 280 . 1 1 37 37 TYR HB3 H 1 2.982 0.01 . 1 . . . A 37 TYR HB3 . 19504 1 281 . 1 1 37 37 TYR HD1 H 1 6.987 0.01 . 3 . . . A 37 TYR HD1 . 19504 1 282 . 1 1 37 37 TYR HD2 H 1 6.987 0.01 . 3 . . . A 37 TYR HD2 . 19504 1 283 . 1 1 37 37 TYR HE1 H 1 6.389 0.01 . 3 . . . A 37 TYR HE1 . 19504 1 284 . 1 1 37 37 TYR HE2 H 1 6.389 0.01 . 3 . . . A 37 TYR HE2 . 19504 1 285 . 1 1 38 38 LYS H H 1 7.938 0.02 . 1 . . . A 38 LYS H . 19504 1 286 . 1 1 38 38 LYS HA H 1 4.046 0.01 . 1 . . . A 38 LYS HA . 19504 1 287 . 1 1 38 38 LYS HB2 H 1 1.728 0.01 . 2 . . . A 38 LYS HB2 . 19504 1 288 . 1 1 38 38 LYS HB3 H 1 1.594 0.01 . 2 . . . A 38 LYS HB3 . 19504 1 289 . 1 1 38 38 LYS HG2 H 1 1.346 0.01 . 2 . . . A 38 LYS HG2 . 19504 1 290 . 1 1 38 38 LYS HG3 H 1 1.291 0.01 . 2 . . . A 38 LYS HG3 . 19504 1 291 . 1 1 38 38 LYS HD2 H 1 1.572 0.01 . 2 . . . A 38 LYS HD2 . 19504 1 292 . 1 1 38 38 LYS HD3 H 1 1.572 0.01 . 2 . . . A 38 LYS HD3 . 19504 1 293 . 1 1 38 38 LYS HE2 H 1 2.906 0.01 . 2 . . . A 38 LYS HE2 . 19504 1 294 . 1 1 38 38 LYS HE3 H 1 2.906 0.01 . 2 . . . A 38 LYS HE3 . 19504 1 stop_ save_