################################### # 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 15900 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $293K_pH5.00 _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 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _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' . . . 15900 1 2 '2D 1H-1H NOESY' . . . 15900 1 4 '2D 1H-13C HSQC' . . . 15900 1 5 '2D 1H-15N HSQC' . . . 15900 1 6 '2D 1H-1H TOCSY' . . . 15900 1 7 '2D 1H-1H NOESY' . . . 15900 1 8 '2D 1H-1H TOCSY' . . . 15900 1 9 '2D 1H-1H NOESY' . . . 15900 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 TYR HA H 1 4.24 0.02 . 1 . . . . 1 TYR HA . 15900 1 2 . 1 1 1 1 TYR HB2 H 1 3.15 0.02 . 2 . . . . 1 TYR HB2 . 15900 1 3 . 1 1 1 1 TYR HB3 H 1 3.15 0.02 . 2 . . . . 1 TYR HB3 . 15900 1 4 . 1 1 1 1 TYR HD1 H 1 7.18 0.02 . 3 . . . . 1 TYR HD1 . 15900 1 5 . 1 1 1 1 TYR HD2 H 1 7.18 0.02 . 3 . . . . 1 TYR HD2 . 15900 1 6 . 1 1 1 1 TYR HE1 H 1 6.88 0.02 . 3 . . . . 1 TYR HE1 . 15900 1 7 . 1 1 1 1 TYR HE2 H 1 6.88 0.02 . 3 . . . . 1 TYR HE2 . 15900 1 8 . 1 1 2 2 GLY H H 1 8.69 0.02 . 1 . . . . 2 GLY H . 15900 1 9 . 1 1 2 2 GLY HA2 H 1 3.90 0.02 . 2 . . . . 2 GLY HA2 . 15900 1 10 . 1 1 2 2 GLY HA3 H 1 3.90 0.02 . 2 . . . . 2 GLY HA3 . 15900 1 11 . 1 1 3 3 CYS H H 1 8.70 0.02 . 1 . . . . 3 CYS H . 15900 1 12 . 1 1 3 3 CYS HA H 1 4.71 0.02 . 1 . . . . 3 CYS HA . 15900 1 13 . 1 1 3 3 CYS HB2 H 1 3.15 0.02 . 2 . . . . 3 CYS HB2 . 15900 1 14 . 1 1 3 3 CYS HB3 H 1 3.15 0.02 . 2 . . . . 3 CYS HB3 . 15900 1 15 . 1 1 4 4 LEU H H 1 8.10 0.02 . 1 . . . . 4 LEU H . 15900 1 16 . 1 1 4 4 LEU HA H 1 4.71 0.02 . 1 . . . . 4 LEU HA . 15900 1 17 . 1 1 4 4 LEU HB2 H 1 1.54 0.02 . 2 . . . . 4 LEU HB2 . 15900 1 18 . 1 1 4 4 LEU HB3 H 1 1.54 0.02 . 2 . . . . 4 LEU HB3 . 15900 1 19 . 1 1 4 4 LEU HD11 H 1 0.88 0.02 . 2 . . . . 4 LEU MD1 . 15900 1 20 . 1 1 4 4 LEU HD12 H 1 0.88 0.02 . 2 . . . . 4 LEU MD1 . 15900 1 21 . 1 1 4 4 LEU HD13 H 1 0.88 0.02 . 2 . . . . 4 LEU MD1 . 15900 1 22 . 1 1 4 4 LEU HD21 H 1 0.88 0.02 . 2 . . . . 4 LEU MD2 . 15900 1 23 . 1 1 4 4 LEU HD22 H 1 0.88 0.02 . 2 . . . . 4 LEU MD2 . 15900 1 24 . 1 1 4 4 LEU HD23 H 1 0.88 0.02 . 2 . . . . 4 LEU MD2 . 15900 1 25 . 1 1 4 4 LEU HG H 1 1.46 0.02 . 1 . . . . 4 LEU HG . 15900 1 26 . 1 1 5 5 ASP H H 1 8.72 0.02 . 1 . . . . 5 ASP H . 15900 1 27 . 1 1 5 5 ASP HA H 1 5.07 0.02 . 1 . . . . 5 ASP HA . 15900 1 28 . 1 1 5 5 ASP HB2 H 1 2.92 0.02 . 2 . . . . 5 ASP HB2 . 15900 1 29 . 1 1 5 5 ASP HB3 H 1 2.61 0.02 . 2 . . . . 5 ASP HB3 . 15900 1 30 . 1 1 6 6 ARG H H 1 9.52 0.02 . 1 . . . . 6 ARG H . 15900 1 31 . 1 1 6 6 ARG HA H 1 4.36 0.02 . 1 . . . . 6 ARG HA . 15900 1 32 . 1 1 6 6 ARG HB2 H 1 2.16 0.02 . 2 . . . . 6 ARG HB2 . 15900 1 33 . 1 1 6 6 ARG HB3 H 1 2.05 0.02 . 2 . . . . 6 ARG HB3 . 15900 1 34 . 1 1 6 6 ARG HD2 H 1 3.28 0.02 . 2 . . . . 6 ARG HD2 . 15900 1 35 . 1 1 6 6 ARG HD3 H 1 3.28 0.02 . 2 . . . . 6 ARG HD3 . 15900 1 36 . 1 1 6 6 ARG HE H 1 7.33 0.02 . 1 . . . . 6 ARG HE . 15900 1 37 . 1 1 6 6 ARG HG2 H 1 1.96 0.02 . 2 . . . . 6 ARG HG2 . 15900 1 38 . 1 1 6 6 ARG HG3 H 1 1.79 0.02 . 2 . . . . 6 ARG HG3 . 15900 1 39 . 1 1 7 7 ILE H H 1 7.03 0.02 . 1 . . . . 7 ILE H . 15900 1 40 . 1 1 7 7 ILE HA H 1 4.73 0.02 . 1 . . . . 7 ILE HA . 15900 1 41 . 1 1 7 7 ILE HB H 1 1.91 0.02 . 1 . . . . 7 ILE HB . 15900 1 42 . 1 1 7 7 ILE HD11 H 1 0.68 0.02 . 1 . . . . 7 ILE MD . 15900 1 43 . 1 1 7 7 ILE HD12 H 1 0.68 0.02 . 1 . . . . 7 ILE MD . 15900 1 44 . 1 1 7 7 ILE HD13 H 1 0.68 0.02 . 1 . . . . 7 ILE MD . 15900 1 45 . 1 1 7 7 ILE HG12 H 1 1.29 0.02 . 2 . . . . 7 ILE HG12 . 15900 1 46 . 1 1 7 7 ILE HG13 H 1 0.94 0.02 . 2 . . . . 7 ILE HG13 . 15900 1 47 . 1 1 7 7 ILE HG21 H 1 0.88 0.02 . 1 . . . . 7 ILE MG . 15900 1 48 . 1 1 7 7 ILE HG22 H 1 0.88 0.02 . 1 . . . . 7 ILE MG . 15900 1 49 . 1 1 7 7 ILE HG23 H 1 0.88 0.02 . 1 . . . . 7 ILE MG . 15900 1 50 . 1 1 8 8 PHE H H 1 8.59 0.02 . 1 . . . . 8 PHE H . 15900 1 51 . 1 1 8 8 PHE HA H 1 4.34 0.02 . 1 . . . . 8 PHE HA . 15900 1 52 . 1 1 8 8 PHE HB2 H 1 3.18 0.02 . 2 . . . . 8 PHE HB2 . 15900 1 53 . 1 1 8 8 PHE HB3 H 1 3.06 0.02 . 2 . . . . 8 PHE HB3 . 15900 1 54 . 1 1 8 8 PHE HD1 H 1 7.20 0.02 . 3 . . . . 8 PHE HD1 . 15900 1 55 . 1 1 8 8 PHE HD2 H 1 7.20 0.02 . 3 . . . . 8 PHE HD2 . 15900 1 56 . 1 1 8 8 PHE HE1 H 1 7.31 0.02 . 3 . . . . 8 PHE HE1 . 15900 1 57 . 1 1 8 8 PHE HE2 H 1 7.31 0.02 . 3 . . . . 8 PHE HE2 . 15900 1 58 . 1 1 9 9 VAL H H 1 6.82 0.02 . 1 . . . . 9 VAL H . 15900 1 59 . 1 1 9 9 VAL HA H 1 3.85 0.02 . 1 . . . . 9 VAL HA . 15900 1 60 . 1 1 9 9 VAL HB H 1 1.39 0.02 . 1 . . . . 9 VAL HB . 15900 1 61 . 1 1 9 9 VAL HG11 H 1 -0.02 0.02 . 2 . . . . 9 VAL MG1 . 15900 1 62 . 1 1 9 9 VAL HG12 H 1 -0.02 0.02 . 2 . . . . 9 VAL MG1 . 15900 1 63 . 1 1 9 9 VAL HG13 H 1 -0.02 0.02 . 2 . . . . 9 VAL MG1 . 15900 1 64 . 1 1 9 9 VAL HG21 H 1 -0.02 0.02 . 2 . . . . 9 VAL MG2 . 15900 1 65 . 1 1 9 9 VAL HG22 H 1 -0.02 0.02 . 2 . . . . 9 VAL MG2 . 15900 1 66 . 1 1 9 9 VAL HG23 H 1 -0.02 0.02 . 2 . . . . 9 VAL MG2 . 15900 1 67 . 1 1 10 10 CYS H H 1 7.10 0.02 . 1 . . . . 10 CYS H . 15900 1 68 . 1 1 10 10 CYS HA H 1 4.19 0.02 . 1 . . . . 10 CYS HA . 15900 1 69 . 1 1 10 10 CYS HB2 H 1 2.90 0.02 . 2 . . . . 10 CYS HB2 . 15900 1 70 . 1 1 10 10 CYS HB3 H 1 2.78 0.02 . 2 . . . . 10 CYS HB3 . 15900 1 71 . 1 1 11 11 THR H H 1 7.77 0.02 . 1 . . . . 11 THR H . 15900 1 72 . 1 1 11 11 THR HA H 1 3.86 0.02 . 1 . . . . 11 THR HA . 15900 1 73 . 1 1 11 11 THR HB H 1 4.02 0.02 . 1 . . . . 11 THR HB . 15900 1 74 . 1 1 11 11 THR HG21 H 1 1.18 0.02 . 1 . . . . 11 THR MG . 15900 1 75 . 1 1 11 11 THR HG22 H 1 1.18 0.02 . 1 . . . . 11 THR MG . 15900 1 76 . 1 1 11 11 THR HG23 H 1 1.18 0.02 . 1 . . . . 11 THR MG . 15900 1 77 . 1 1 12 12 SER H H 1 7.73 0.02 . 1 . . . . 12 SER H . 15900 1 78 . 1 1 12 12 SER HA H 1 4.15 0.02 . 1 . . . . 12 SER HA . 15900 1 79 . 1 1 12 12 SER HB2 H 1 3.87 0.02 . 2 . . . . 12 SER HB2 . 15900 1 80 . 1 1 12 12 SER HB3 H 1 3.87 0.02 . 2 . . . . 12 SER HB3 . 15900 1 81 . 1 1 13 13 TRP H H 1 8.49 0.02 . 1 . . . . 13 TRP H . 15900 1 82 . 1 1 13 13 TRP HA H 1 3.98 0.02 . 1 . . . . 13 TRP HA . 15900 1 83 . 1 1 13 13 TRP HB2 H 1 3.34 0.02 . 2 . . . . 13 TRP HB2 . 15900 1 84 . 1 1 13 13 TRP HB3 H 1 3.04 0.02 . 2 . . . . 13 TRP HB3 . 15900 1 85 . 1 1 13 13 TRP HD1 H 1 6.64 0.02 . 1 . . . . 13 TRP HD1 . 15900 1 86 . 1 1 13 13 TRP HE1 H 1 10.12 0.02 . 1 . . . . 13 TRP HE1 . 15900 1 87 . 1 1 13 13 TRP HE3 H 1 7.80 0.02 . 1 . . . . 13 TRP HE3 . 15900 1 88 . 1 1 13 13 TRP HH2 H 1 7.10 0.02 . 1 . . . . 13 TRP HH2 . 15900 1 89 . 1 1 13 13 TRP HZ2 H 1 7.39 0.02 . 1 . . . . 13 TRP HZ2 . 15900 1 90 . 1 1 13 13 TRP HZ3 H 1 6.90 0.02 . 1 . . . . 13 TRP HZ3 . 15900 1 91 . 1 1 14 14 ALA H H 1 8.85 0.02 . 1 . . . . 14 ALA H . 15900 1 92 . 1 1 14 14 ALA HA H 1 4.27 0.02 . 1 . . . . 14 ALA HA . 15900 1 93 . 1 1 14 14 ALA HB1 H 1 1.39 0.02 . 1 . . . . 14 ALA MB . 15900 1 94 . 1 1 14 14 ALA HB2 H 1 1.39 0.02 . 1 . . . . 14 ALA MB . 15900 1 95 . 1 1 14 14 ALA HB3 H 1 1.39 0.02 . 1 . . . . 14 ALA MB . 15900 1 96 . 1 1 15 15 ARG H H 1 7.90 0.02 . 1 . . . . 15 ARG H . 15900 1 97 . 1 1 15 15 ARG HA H 1 4.19 0.02 . 1 . . . . 15 ARG HA . 15900 1 98 . 1 1 15 15 ARG HB2 H 1 2.01 0.02 . 2 . . . . 15 ARG HB2 . 15900 1 99 . 1 1 15 15 ARG HB3 H 1 2.01 0.02 . 2 . . . . 15 ARG HB3 . 15900 1 100 . 1 1 15 15 ARG HD2 H 1 3.19 0.02 . 2 . . . . 15 ARG HD2 . 15900 1 101 . 1 1 15 15 ARG HD3 H 1 3.19 0.02 . 2 . . . . 15 ARG HD3 . 15900 1 102 . 1 1 15 15 ARG HE H 1 7.29 0.02 . 1 . . . . 15 ARG HE . 15900 1 103 . 1 1 15 15 ARG HG2 H 1 1.85 0.02 . 2 . . . . 15 ARG HG2 . 15900 1 104 . 1 1 15 15 ARG HG3 H 1 1.74 0.02 . 2 . . . . 15 ARG HG3 . 15900 1 105 . 1 1 16 16 LYS H H 1 7.49 0.02 . 1 . . . . 16 LYS H . 15900 1 106 . 1 1 16 16 LYS HA H 1 4.33 0.02 . 1 . . . . 16 LYS HA . 15900 1 107 . 1 1 16 16 LYS HB2 H 1 1.40 0.02 . 2 . . . . 16 LYS HB2 . 15900 1 108 . 1 1 16 16 LYS HB3 H 1 1.40 0.02 . 2 . . . . 16 LYS HB3 . 15900 1 109 . 1 1 16 16 LYS HD2 H 1 1.47 0.02 . 2 . . . . 16 LYS HD2 . 15900 1 110 . 1 1 16 16 LYS HD3 H 1 1.47 0.02 . 2 . . . . 16 LYS HD3 . 15900 1 111 . 1 1 16 16 LYS HE2 H 1 2.87 0.02 . 2 . . . . 16 LYS HE2 . 15900 1 112 . 1 1 16 16 LYS HE3 H 1 2.87 0.02 . 2 . . . . 16 LYS HE3 . 15900 1 113 . 1 1 16 16 LYS HG2 H 1 1.74 0.02 . 2 . . . . 16 LYS HG2 . 15900 1 114 . 1 1 16 16 LYS HG3 H 1 1.74 0.02 . 2 . . . . 16 LYS HG3 . 15900 1 115 . 1 1 16 16 LYS HZ1 H 1 7.68 0.02 . 1 . . . . 16 LYS QZ . 15900 1 116 . 1 1 16 16 LYS HZ2 H 1 7.68 0.02 . 1 . . . . 16 LYS QZ . 15900 1 117 . 1 1 16 16 LYS HZ3 H 1 7.68 0.02 . 1 . . . . 16 LYS QZ . 15900 1 118 . 1 1 17 17 GLY H H 1 7.61 0.02 . 1 . . . . 17 GLY H . 15900 1 119 . 1 1 17 17 GLY HA2 H 1 4.48 0.02 . 2 . . . . 17 GLY HA2 . 15900 1 120 . 1 1 17 17 GLY HA3 H 1 4.15 0.02 . 2 . . . . 17 GLY HA3 . 15900 1 121 . 1 1 18 18 PHE H H 1 8.08 0.02 . 1 . . . . 18 PHE H . 15900 1 122 . 1 1 18 18 PHE HA H 1 4.38 0.02 . 1 . . . . 18 PHE HA . 15900 1 123 . 1 1 18 18 PHE HB2 H 1 3.13 0.02 . 2 . . . . 18 PHE HB2 . 15900 1 124 . 1 1 18 18 PHE HB3 H 1 3.04 0.02 . 2 . . . . 18 PHE HB3 . 15900 1 125 . 1 1 18 18 PHE HD1 H 1 6.69 0.02 . 3 . . . . 18 PHE HD1 . 15900 1 126 . 1 1 18 18 PHE HD2 H 1 6.69 0.02 . 3 . . . . 18 PHE HD2 . 15900 1 127 . 1 1 18 18 PHE HE1 H 1 6.99 0.02 . 3 . . . . 18 PHE HE1 . 15900 1 128 . 1 1 18 18 PHE HE2 H 1 6.99 0.02 . 3 . . . . 18 PHE HE2 . 15900 1 129 . 1 1 18 18 PHE HZ H 1 6.63 0.02 . 1 . . . . 18 PHE HZ . 15900 1 130 . 1 1 19 19 CYS H H 1 9.52 0.02 . 1 . . . . 19 CYS H . 15900 1 131 . 1 1 19 19 CYS HA H 1 4.16 0.02 . 1 . . . . 19 CYS HA . 15900 1 132 . 1 1 19 19 CYS HB2 H 1 2.96 0.02 . 2 . . . . 19 CYS HB2 . 15900 1 133 . 1 1 19 19 CYS HB3 H 1 2.96 0.02 . 2 . . . . 19 CYS HB3 . 15900 1 134 . 1 1 20 20 ASP H H 1 7.35 0.02 . 1 . . . . 20 ASP H . 15900 1 135 . 1 1 20 20 ASP HA H 1 4.88 0.02 . 1 . . . . 20 ASP HA . 15900 1 136 . 1 1 20 20 ASP HB2 H 1 2.84 0.02 . 2 . . . . 20 ASP HB2 . 15900 1 137 . 1 1 20 20 ASP HB3 H 1 2.74 0.02 . 2 . . . . 20 ASP HB3 . 15900 1 138 . 1 1 21 21 VAL H H 1 7.35 0.02 . 1 . . . . 21 VAL H . 15900 1 139 . 1 1 21 21 VAL HA H 1 4.25 0.02 . 1 . . . . 21 VAL HA . 15900 1 140 . 1 1 21 21 VAL HB H 1 2.15 0.02 . 1 . . . . 21 VAL HB . 15900 1 141 . 1 1 21 21 VAL HG11 H 1 0.99 0.02 . 2 . . . . 21 VAL MG1 . 15900 1 142 . 1 1 21 21 VAL HG12 H 1 0.99 0.02 . 2 . . . . 21 VAL MG1 . 15900 1 143 . 1 1 21 21 VAL HG13 H 1 0.99 0.02 . 2 . . . . 21 VAL MG1 . 15900 1 144 . 1 1 21 21 VAL HG21 H 1 0.99 0.02 . 2 . . . . 21 VAL MG2 . 15900 1 145 . 1 1 21 21 VAL HG22 H 1 0.99 0.02 . 2 . . . . 21 VAL MG2 . 15900 1 146 . 1 1 21 21 VAL HG23 H 1 0.99 0.02 . 2 . . . . 21 VAL MG2 . 15900 1 147 . 1 1 22 22 ARG H H 1 8.31 0.02 . 1 . . . . 22 ARG H . 15900 1 148 . 1 1 22 22 ARG HA H 1 4.71 0.02 . 1 . . . . 22 ARG HA . 15900 1 149 . 1 1 22 22 ARG HB2 H 1 1.78 0.02 . 2 . . . . 22 ARG HB2 . 15900 1 150 . 1 1 22 22 ARG HB3 H 1 1.40 0.02 . 2 . . . . 22 ARG HB3 . 15900 1 151 . 1 1 22 22 ARG HD2 H 1 2.55 0.02 . 2 . . . . 22 ARG HD2 . 15900 1 152 . 1 1 22 22 ARG HD3 H 1 1.96 0.02 . 2 . . . . 22 ARG HD3 . 15900 1 153 . 1 1 22 22 ARG HE H 1 6.56 0.02 . 1 . . . . 22 ARG HE . 15900 1 154 . 1 1 22 22 ARG HG2 H 1 1.17 0.02 . 2 . . . . 22 ARG HG2 . 15900 1 155 . 1 1 22 22 ARG HG3 H 1 0.77 0.02 . 2 . . . . 22 ARG HG3 . 15900 1 156 . 1 1 23 23 GLN H H 1 7.82 0.02 . 1 . . . . 23 GLN H . 15900 1 157 . 1 1 23 23 GLN HA H 1 3.92 0.02 . 1 . . . . 23 GLN HA . 15900 1 158 . 1 1 23 23 GLN HB2 H 1 2.15 0.02 . 2 . . . . 23 GLN HB2 . 15900 1 159 . 1 1 23 23 GLN HB3 H 1 2.03 0.02 . 2 . . . . 23 GLN HB3 . 15900 1 160 . 1 1 23 23 GLN HE21 H 1 7.53 0.02 . 2 . . . . 23 GLN HE21 . 15900 1 161 . 1 1 23 23 GLN HE22 H 1 6.94 0.02 . 2 . . . . 23 GLN HE22 . 15900 1 162 . 1 1 23 23 GLN HG2 H 1 2.59 0.02 . 2 . . . . 23 GLN HG2 . 15900 1 163 . 1 1 23 23 GLN HG3 H 1 2.26 0.02 . 2 . . . . 23 GLN HG3 . 15900 1 164 . 1 1 24 24 ARG H H 1 8.52 0.02 . 1 . . . . 24 ARG H . 15900 1 165 . 1 1 24 24 ARG HA H 1 3.86 0.02 . 1 . . . . 24 ARG HA . 15900 1 166 . 1 1 24 24 ARG HB2 H 1 1.83 0.02 . 2 . . . . 24 ARG HB2 . 15900 1 167 . 1 1 24 24 ARG HB3 H 1 1.77 0.02 . 2 . . . . 24 ARG HB3 . 15900 1 168 . 1 1 24 24 ARG HD2 H 1 3.18 0.02 . 2 . . . . 24 ARG HD2 . 15900 1 169 . 1 1 24 24 ARG HD3 H 1 3.18 0.02 . 2 . . . . 24 ARG HD3 . 15900 1 170 . 1 1 24 24 ARG HE H 1 7.24 0.02 . 1 . . . . 24 ARG HE . 15900 1 171 . 1 1 24 24 ARG HG2 H 1 1.57 0.02 . 2 . . . . 24 ARG HG2 . 15900 1 172 . 1 1 24 24 ARG HG3 H 1 1.57 0.02 . 2 . . . . 24 ARG HG3 . 15900 1 173 . 1 1 25 25 LEU H H 1 7.83 0.02 . 1 . . . . 25 LEU H . 15900 1 174 . 1 1 25 25 LEU HA H 1 4.13 0.02 . 1 . . . . 25 LEU HA . 15900 1 175 . 1 1 25 25 LEU HB2 H 1 1.77 0.02 . 2 . . . . 25 LEU HB2 . 15900 1 176 . 1 1 25 25 LEU HB3 H 1 1.77 0.02 . 2 . . . . 25 LEU HB3 . 15900 1 177 . 1 1 25 25 LEU HD11 H 1 0.93 0.02 . 2 . . . . 25 LEU MD1 . 15900 1 178 . 1 1 25 25 LEU HD12 H 1 0.93 0.02 . 2 . . . . 25 LEU MD1 . 15900 1 179 . 1 1 25 25 LEU HD13 H 1 0.93 0.02 . 2 . . . . 25 LEU MD1 . 15900 1 180 . 1 1 25 25 LEU HD21 H 1 0.62 0.02 . 2 . . . . 25 LEU MD2 . 15900 1 181 . 1 1 25 25 LEU HD22 H 1 0.62 0.02 . 2 . . . . 25 LEU MD2 . 15900 1 182 . 1 1 25 25 LEU HD23 H 1 0.62 0.02 . 2 . . . . 25 LEU MD2 . 15900 1 183 . 1 1 25 25 LEU HG H 1 1.57 0.02 . 1 . . . . 25 LEU HG . 15900 1 184 . 1 1 26 26 MET H H 1 8.49 0.02 . 1 . . . . 26 MET H . 15900 1 185 . 1 1 26 26 MET HA H 1 4.46 0.02 . 1 . . . . 26 MET HA . 15900 1 186 . 1 1 26 26 MET HB2 H 1 2.33 0.02 . 2 . . . . 26 MET HB2 . 15900 1 187 . 1 1 26 26 MET HB3 H 1 2.33 0.02 . 2 . . . . 26 MET HB3 . 15900 1 188 . 1 1 26 26 MET HE1 H 1 2.20 0.02 . 1 . . . . 26 MET ME . 15900 1 189 . 1 1 26 26 MET HE2 H 1 2.20 0.02 . 1 . . . . 26 MET ME . 15900 1 190 . 1 1 26 26 MET HE3 H 1 2.20 0.02 . 1 . . . . 26 MET ME . 15900 1 191 . 1 1 26 26 MET HG2 H 1 2.84 0.02 . 2 . . . . 26 MET HG2 . 15900 1 192 . 1 1 26 26 MET HG3 H 1 2.84 0.02 . 2 . . . . 26 MET HG3 . 15900 1 193 . 1 1 27 27 LYS H H 1 8.93 0.02 . 1 . . . . 27 LYS H . 15900 1 194 . 1 1 27 27 LYS HA H 1 4.01 0.02 . 1 . . . . 27 LYS HA . 15900 1 195 . 1 1 27 27 LYS HB2 H 1 1.76 0.02 . 2 . . . . 27 LYS HB2 . 15900 1 196 . 1 1 27 27 LYS HB3 H 1 1.76 0.02 . 2 . . . . 27 LYS HB3 . 15900 1 197 . 1 1 27 27 LYS HD2 H 1 1.40 0.02 . 2 . . . . 27 LYS HD2 . 15900 1 198 . 1 1 27 27 LYS HD3 H 1 1.40 0.02 . 2 . . . . 27 LYS HD3 . 15900 1 199 . 1 1 27 27 LYS HE2 H 1 2.46 0.02 . 2 . . . . 27 LYS HE2 . 15900 1 200 . 1 1 27 27 LYS HE3 H 1 2.46 0.02 . 2 . . . . 27 LYS HE3 . 15900 1 201 . 1 1 27 27 LYS HG2 H 1 1.21 0.02 . 2 . . . . 27 LYS HG2 . 15900 1 202 . 1 1 27 27 LYS HG3 H 1 1.04 0.02 . 2 . . . . 27 LYS HG3 . 15900 1 203 . 1 1 27 27 LYS HZ1 H 1 7.46 0.02 . 1 . . . . 27 LYS QZ . 15900 1 204 . 1 1 27 27 LYS HZ2 H 1 7.46 0.02 . 1 . . . . 27 LYS QZ . 15900 1 205 . 1 1 27 27 LYS HZ3 H 1 7.46 0.02 . 1 . . . . 27 LYS QZ . 15900 1 206 . 1 1 28 28 ARG H H 1 7.15 0.02 . 1 . . . . 28 ARG H . 15900 1 207 . 1 1 28 28 ARG HA H 1 4.29 0.02 . 1 . . . . 28 ARG HA . 15900 1 208 . 1 1 28 28 ARG HB2 H 1 2.06 0.02 . 2 . . . . 28 ARG HB2 . 15900 1 209 . 1 1 28 28 ARG HB3 H 1 1.94 0.02 . 2 . . . . 28 ARG HB3 . 15900 1 210 . 1 1 28 28 ARG HD2 H 1 3.34 0.02 . 2 . . . . 28 ARG HD2 . 15900 1 211 . 1 1 28 28 ARG HD3 H 1 3.21 0.02 . 2 . . . . 28 ARG HD3 . 15900 1 212 . 1 1 28 28 ARG HE H 1 7.40 0.02 . 1 . . . . 28 ARG HE . 15900 1 213 . 1 1 28 28 ARG HG2 H 1 1.74 0.02 . 2 . . . . 28 ARG HG2 . 15900 1 214 . 1 1 28 28 ARG HG3 H 1 1.58 0.02 . 2 . . . . 28 ARG HG3 . 15900 1 215 . 1 1 29 29 LEU H H 1 8.49 0.02 . 1 . . . . 29 LEU H . 15900 1 216 . 1 1 29 29 LEU HA H 1 4.60 0.02 . 1 . . . . 29 LEU HA . 15900 1 217 . 1 1 29 29 LEU HB2 H 1 2.08 0.02 . 2 . . . . 29 LEU HB2 . 15900 1 218 . 1 1 29 29 LEU HB3 H 1 1.68 0.02 . 2 . . . . 29 LEU HB3 . 15900 1 219 . 1 1 29 29 LEU HD11 H 1 1.10 0.02 . 2 . . . . 29 LEU MD1 . 15900 1 220 . 1 1 29 29 LEU HD12 H 1 1.10 0.02 . 2 . . . . 29 LEU MD1 . 15900 1 221 . 1 1 29 29 LEU HD13 H 1 1.10 0.02 . 2 . . . . 29 LEU MD1 . 15900 1 222 . 1 1 29 29 LEU HD21 H 1 0.93 0.02 . 2 . . . . 29 LEU MD2 . 15900 1 223 . 1 1 29 29 LEU HD22 H 1 0.93 0.02 . 2 . . . . 29 LEU MD2 . 15900 1 224 . 1 1 29 29 LEU HD23 H 1 0.93 0.02 . 2 . . . . 29 LEU MD2 . 15900 1 225 . 1 1 29 29 LEU HG H 1 1.78 0.02 . 1 . . . . 29 LEU HG . 15900 1 226 . 1 1 30 30 CYS H H 1 8.93 0.02 . 1 . . . . 30 CYS H . 15900 1 227 . 1 1 30 30 CYS HA H 1 5.85 0.02 . 1 . . . . 30 CYS HA . 15900 1 228 . 1 1 30 30 CYS HB2 H 1 3.49 0.02 . 2 . . . . 30 CYS HB2 . 15900 1 229 . 1 1 30 30 CYS HB3 H 1 2.92 0.02 . 2 . . . . 30 CYS HB3 . 15900 1 230 . 1 1 31 31 PRO HA H 1 4.24 0.02 . 1 . . . . 31 PRO HA . 15900 1 231 . 1 1 31 31 PRO HB2 H 1 2.46 0.02 . 2 . . . . 31 PRO HB2 . 15900 1 232 . 1 1 31 31 PRO HB3 H 1 2.05 0.02 . 2 . . . . 31 PRO HB3 . 15900 1 233 . 1 1 31 31 PRO HD2 H 1 3.91 0.02 . 2 . . . . 31 PRO HD2 . 15900 1 234 . 1 1 31 31 PRO HD3 H 1 3.51 0.02 . 2 . . . . 31 PRO HD3 . 15900 1 235 . 1 1 31 31 PRO HG2 H 1 2.20 0.02 . 2 . . . . 31 PRO HG2 . 15900 1 236 . 1 1 31 31 PRO HG3 H 1 1.94 0.02 . 2 . . . . 31 PRO HG3 . 15900 1 237 . 1 1 32 32 ARG H H 1 7.11 0.02 . 1 . . . . 32 ARG H . 15900 1 238 . 1 1 32 32 ARG HA H 1 4.19 0.02 . 1 . . . . 32 ARG HA . 15900 1 239 . 1 1 32 32 ARG HB2 H 1 1.76 0.02 . 2 . . . . 32 ARG HB2 . 15900 1 240 . 1 1 32 32 ARG HB3 H 1 1.76 0.02 . 2 . . . . 32 ARG HB3 . 15900 1 241 . 1 1 32 32 ARG HD2 H 1 3.29 0.02 . 2 . . . . 32 ARG HD2 . 15900 1 242 . 1 1 32 32 ARG HD3 H 1 3.22 0.02 . 2 . . . . 32 ARG HD3 . 15900 1 243 . 1 1 32 32 ARG HE H 1 7.16 0.02 . 1 . . . . 32 ARG HE . 15900 1 244 . 1 1 32 32 ARG HG2 H 1 1.58 0.02 . 2 . . . . 32 ARG HG2 . 15900 1 245 . 1 1 32 32 ARG HG3 H 1 1.58 0.02 . 2 . . . . 32 ARG HG3 . 15900 1 246 . 1 1 33 33 SER H H 1 10.23 0.02 . 1 . . . . 33 SER H . 15900 1 247 . 1 1 33 33 SER HA H 1 4.12 0.02 . 1 . . . . 33 SER HA . 15900 1 248 . 1 1 33 33 SER HB2 H 1 3.73 0.02 . 2 . . . . 33 SER HB2 . 15900 1 249 . 1 1 33 33 SER HB3 H 1 3.50 0.02 . 2 . . . . 33 SER HB3 . 15900 1 250 . 1 1 34 34 CYS H H 1 6.95 0.02 . 1 . . . . 34 CYS H . 15900 1 251 . 1 1 34 34 CYS HA H 1 4.57 0.02 . 1 . . . . 34 CYS HA . 15900 1 252 . 1 1 34 34 CYS HB2 H 1 2.04 0.02 . 2 . . . . 34 CYS HB2 . 15900 1 253 . 1 1 34 34 CYS HB3 H 1 1.66 0.02 . 2 . . . . 34 CYS HB3 . 15900 1 254 . 1 1 35 35 ASP H H 1 7.74 0.02 . 1 . . . . 35 ASP H . 15900 1 255 . 1 1 35 35 ASP HA H 1 4.49 0.02 . 1 . . . . 35 ASP HA . 15900 1 256 . 1 1 35 35 ASP HB2 H 1 3.12 0.02 . 2 . . . . 35 ASP HB2 . 15900 1 257 . 1 1 35 35 ASP HB3 H 1 2.50 0.02 . 2 . . . . 35 ASP HB3 . 15900 1 258 . 1 1 36 36 PHE H H 1 9.02 0.02 . 1 . . . . 36 PHE H . 15900 1 259 . 1 1 36 36 PHE HA H 1 5.29 0.02 . 1 . . . . 36 PHE HA . 15900 1 260 . 1 1 36 36 PHE HB2 H 1 3.69 0.02 . 2 . . . . 36 PHE HB2 . 15900 1 261 . 1 1 36 36 PHE HB3 H 1 2.81 0.02 . 2 . . . . 36 PHE HB3 . 15900 1 262 . 1 1 36 36 PHE HD1 H 1 7.04 0.02 . 3 . . . . 36 PHE HD1 . 15900 1 263 . 1 1 36 36 PHE HD2 H 1 7.04 0.02 . 3 . . . . 36 PHE HD2 . 15900 1 264 . 1 1 36 36 PHE HE1 H 1 7.35 0.02 . 3 . . . . 36 PHE HE1 . 15900 1 265 . 1 1 36 36 PHE HE2 H 1 7.35 0.02 . 3 . . . . 36 PHE HE2 . 15900 1 266 . 1 1 36 36 PHE HZ H 1 7.51 0.02 . 1 . . . . 36 PHE HZ . 15900 1 267 . 1 1 37 37 CYS H H 1 8.18 0.02 . 1 . . . . 37 CYS H . 15900 1 268 . 1 1 37 37 CYS HA H 1 4.63 0.02 . 1 . . . . 37 CYS HA . 15900 1 269 . 1 1 37 37 CYS HB2 H 1 3.36 0.02 . 2 . . . . 37 CYS HB2 . 15900 1 270 . 1 1 37 37 CYS HB3 H 1 3.14 0.02 . 2 . . . . 37 CYS HB3 . 15900 1 stop_ save_