################################### # 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 11044 _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 2 '2D DQF-COSY' 1 $sample_1 isotropic 11044 1 3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 11044 1 4 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 11044 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 CYS HA H 1 4.60 0.02 . 1 . . . . 1 CYS HA . 11044 1 2 . 1 1 1 1 CYS HB2 H 1 2.94 0.02 . 2 . . . . 1 CYS HB2 . 11044 1 3 . 1 1 1 1 CYS HB3 H 1 3.26 0.02 . 2 . . . . 1 CYS HB3 . 11044 1 4 . 1 1 2 2 GLY H H 1 8.95 0.02 . 1 . . . . 2 GLY H . 11044 1 5 . 1 1 2 2 GLY HA2 H 1 3.74 0.02 . 2 . . . . 2 GLY HA2 . 11044 1 6 . 1 1 2 2 GLY HA3 H 1 4.14 0.02 . 2 . . . . 2 GLY HA3 . 11044 1 7 . 1 1 3 3 SER H H 1 8.27 0.02 . 1 . . . . 3 SER H . 11044 1 8 . 1 1 3 3 SER HA H 1 3.47 0.02 . 1 . . . . 3 SER HA . 11044 1 9 . 1 1 3 3 SER HB2 H 1 3.58 0.02 . 2 . . . . 3 SER HB2 . 11044 1 10 . 1 1 3 3 SER HB3 H 1 3.65 0.02 . 2 . . . . 3 SER HB3 . 11044 1 11 . 1 1 4 4 LYS H H 1 7.16 0.02 . 1 . . . . 4 LYS H . 11044 1 12 . 1 1 4 4 LYS HA H 1 3.69 0.02 . 1 . . . . 4 LYS HA . 11044 1 13 . 1 1 4 4 LYS HB2 H 1 1.81 0.02 . 2 . . . . 4 LYS HB2 . 11044 1 14 . 1 1 4 4 LYS HB3 H 1 1.92 0.02 . 2 . . . . 4 LYS HB3 . 11044 1 15 . 1 1 4 4 LYS HD2 H 1 1.67 0.02 . 2 . . . . 4 LYS HD2 . 11044 1 16 . 1 1 4 4 LYS HD3 H 1 1.67 0.02 . 2 . . . . 4 LYS HD3 . 11044 1 17 . 1 1 4 4 LYS HG2 H 1 1.35 0.02 . 2 . . . . 4 LYS HG2 . 11044 1 18 . 1 1 4 4 LYS HG3 H 1 1.41 0.02 . 2 . . . . 4 LYS HG3 . 11044 1 19 . 1 1 4 4 LYS HZ1 H 1 7.52 0.02 . 1 . . . . 4 LYS QZ . 11044 1 20 . 1 1 4 4 LYS HZ2 H 1 7.52 0.02 . 1 . . . . 4 LYS QZ . 11044 1 21 . 1 1 4 4 LYS HZ3 H 1 7.52 0.02 . 1 . . . . 4 LYS QZ . 11044 1 22 . 1 1 5 5 ARG H H 1 8.77 0.02 . 1 . . . . 5 ARG H . 11044 1 23 . 1 1 5 5 ARG HA H 1 3.66 0.02 . 1 . . . . 5 ARG HA . 11044 1 24 . 1 1 5 5 ARG HB2 H 1 2.03 0.02 . 2 . . . . 5 ARG HB2 . 11044 1 25 . 1 1 5 5 ARG HB3 H 1 2.14 0.02 . 2 . . . . 5 ARG HB3 . 11044 1 26 . 1 1 5 5 ARG HD2 H 1 3.19 0.02 . 2 . . . . 5 ARG HD2 . 11044 1 27 . 1 1 5 5 ARG HD3 H 1 3.19 0.02 . 2 . . . . 5 ARG HD3 . 11044 1 28 . 1 1 5 5 ARG HE H 1 7.19 0.02 . 1 . . . . 5 ARG HE . 11044 1 29 . 1 1 5 5 ARG HG2 H 1 1.62 0.02 . 2 . . . . 5 ARG HG2 . 11044 1 30 . 1 1 5 5 ARG HG3 H 1 1.69 0.02 . 2 . . . . 5 ARG HG3 . 11044 1 31 . 1 1 6 6 ALA H H 1 8.16 0.02 . 1 . . . . 6 ALA H . 11044 1 32 . 1 1 6 6 ALA HA H 1 4.16 0.02 . 1 . . . . 6 ALA HA . 11044 1 33 . 1 1 6 6 ALA HB1 H 1 1.30 0.02 . 1 . . . . 6 ALA MB . 11044 1 34 . 1 1 6 6 ALA HB2 H 1 1.30 0.02 . 1 . . . . 6 ALA MB . 11044 1 35 . 1 1 6 6 ALA HB3 H 1 1.30 0.02 . 1 . . . . 6 ALA MB . 11044 1 36 . 1 1 7 7 TRP H H 1 8.32 0.02 . 1 . . . . 7 TRP H . 11044 1 37 . 1 1 7 7 TRP HA H 1 4.60 0.02 . 1 . . . . 7 TRP HA . 11044 1 38 . 1 1 7 7 TRP HB2 H 1 3.22 0.02 . 2 . . . . 7 TRP HB2 . 11044 1 39 . 1 1 7 7 TRP HB3 H 1 3.22 0.02 . 2 . . . . 7 TRP HB3 . 11044 1 40 . 1 1 7 7 TRP HD1 H 1 7.36 0.02 . 1 . . . . 7 TRP HD1 . 11044 1 41 . 1 1 7 7 TRP HE1 H 1 10.0 0.02 . 1 . . . . 7 TRP HE1 . 11044 1 42 . 1 1 7 7 TRP HZ2 H 1 7.44 0.02 . 1 . . . . 7 TRP HZ2 . 11044 1 43 . 1 1 8 8 CYS H H 1 7.14 0.02 . 1 . . . . 8 CYS H . 11044 1 44 . 1 1 8 8 CYS HA H 1 4.39 0.02 . 1 . . . . 8 CYS HA . 11044 1 45 . 1 1 8 8 CYS HB2 H 1 2.98 0.02 . 2 . . . . 8 CYS HB2 . 11044 1 46 . 1 1 8 8 CYS HB3 H 1 3.27 0.02 . 2 . . . . 8 CYS HB3 . 11044 1 47 . 1 1 9 9 LYS H H 1 8.64 0.02 . 1 . . . . 9 LYS H . 11044 1 48 . 1 1 9 9 LYS HA H 1 4.28 0.02 . 1 . . . . 9 LYS HA . 11044 1 49 . 1 1 9 9 LYS HB2 H 1 1.77 0.02 . 2 . . . . 9 LYS HB2 . 11044 1 50 . 1 1 9 9 LYS HB3 H 1 1.80 0.02 . 2 . . . . 9 LYS HB3 . 11044 1 51 . 1 1 9 9 LYS HD2 H 1 1.74 0.02 . 2 . . . . 9 LYS HD2 . 11044 1 52 . 1 1 9 9 LYS HD3 H 1 1.74 0.02 . 2 . . . . 9 LYS HD3 . 11044 1 53 . 1 1 9 9 LYS HE2 H 1 3.04 0.02 . 2 . . . . 9 LYS HE2 . 11044 1 54 . 1 1 9 9 LYS HE3 H 1 3.04 0.02 . 2 . . . . 9 LYS HE3 . 11044 1 55 . 1 1 9 9 LYS HG2 H 1 1.38 0.02 . 2 . . . . 9 LYS HG2 . 11044 1 56 . 1 1 9 9 LYS HG3 H 1 1.38 0.02 . 2 . . . . 9 LYS HG3 . 11044 1 57 . 1 1 9 9 LYS HZ1 H 1 7.61 0.02 . 1 . . . . 9 LYS QZ . 11044 1 58 . 1 1 9 9 LYS HZ2 H 1 7.61 0.02 . 1 . . . . 9 LYS QZ . 11044 1 59 . 1 1 9 9 LYS HZ3 H 1 7.61 0.02 . 1 . . . . 9 LYS QZ . 11044 1 60 . 1 1 10 10 GLU H H 1 8.01 0.02 . 1 . . . . 10 GLU H . 11044 1 61 . 1 1 10 10 GLU HA H 1 4.69 0.02 . 1 . . . . 10 GLU HA . 11044 1 62 . 1 1 10 10 GLU HB2 H 1 1.90 0.02 . 2 . . . . 10 GLU HB2 . 11044 1 63 . 1 1 10 10 GLU HB3 H 1 2.39 0.02 . 2 . . . . 10 GLU HB3 . 11044 1 64 . 1 1 10 10 GLU HG2 H 1 2.29 0.02 . 2 . . . . 10 GLU HG2 . 11044 1 65 . 1 1 10 10 GLU HG3 H 1 2.29 0.02 . 2 . . . . 10 GLU HG3 . 11044 1 66 . 1 1 11 11 LYS H H 1 8.97 0.02 . 1 . . . . 11 LYS H . 11044 1 67 . 1 1 11 11 LYS HA H 1 3.78 0.02 . 1 . . . . 11 LYS HA . 11044 1 68 . 1 1 11 11 LYS HB2 H 1 1.90 0.02 . 2 . . . . 11 LYS HB2 . 11044 1 69 . 1 1 11 11 LYS HB3 H 1 2.12 0.02 . 2 . . . . 11 LYS HB3 . 11044 1 70 . 1 1 11 11 LYS HD2 H 1 1.77 0.02 . 2 . . . . 11 LYS HD2 . 11044 1 71 . 1 1 11 11 LYS HD3 H 1 1.77 0.02 . 2 . . . . 11 LYS HD3 . 11044 1 72 . 1 1 11 11 LYS HE2 H 1 3.04 0.02 . 2 . . . . 11 LYS HE2 . 11044 1 73 . 1 1 11 11 LYS HE3 H 1 3.04 0.02 . 2 . . . . 11 LYS HE3 . 11044 1 74 . 1 1 11 11 LYS HG2 H 1 1.54 0.02 . 2 . . . . 11 LYS HG2 . 11044 1 75 . 1 1 11 11 LYS HG3 H 1 1.58 0.02 . 2 . . . . 11 LYS HG3 . 11044 1 76 . 1 1 11 11 LYS HZ1 H 1 7.58 0.02 . 1 . . . . 11 LYS QZ . 11044 1 77 . 1 1 11 11 LYS HZ2 H 1 7.58 0.02 . 1 . . . . 11 LYS QZ . 11044 1 78 . 1 1 11 11 LYS HZ3 H 1 7.58 0.02 . 1 . . . . 11 LYS QZ . 11044 1 79 . 1 1 12 12 LYS H H 1 8.27 0.02 . 1 . . . . 12 LYS H . 11044 1 80 . 1 1 12 12 LYS HA H 1 4.31 0.02 . 1 . . . . 12 LYS HA . 11044 1 81 . 1 1 12 12 LYS HB2 H 1 1.87 0.02 . 2 . . . . 12 LYS HB2 . 11044 1 82 . 1 1 12 12 LYS HB3 H 1 1.95 0.02 . 2 . . . . 12 LYS HB3 . 11044 1 83 . 1 1 12 12 LYS HD2 H 1 1.67 0.02 . 2 . . . . 12 LYS HD2 . 11044 1 84 . 1 1 12 12 LYS HD3 H 1 1.67 0.02 . 2 . . . . 12 LYS HD3 . 11044 1 85 . 1 1 12 12 LYS HE2 H 1 2.97 0.02 . 2 . . . . 12 LYS HE2 . 11044 1 86 . 1 1 12 12 LYS HE3 H 1 2.97 0.02 . 2 . . . . 12 LYS HE3 . 11044 1 87 . 1 1 12 12 LYS HG2 H 1 1.35 0.02 . 2 . . . . 12 LYS HG2 . 11044 1 88 . 1 1 12 12 LYS HG3 H 1 1.43 0.02 . 2 . . . . 12 LYS HG3 . 11044 1 89 . 1 1 12 12 LYS HZ1 H 1 7.51 0.02 . 1 . . . . 12 LYS QZ . 11044 1 90 . 1 1 12 12 LYS HZ2 H 1 7.51 0.02 . 1 . . . . 12 LYS QZ . 11044 1 91 . 1 1 12 12 LYS HZ3 H 1 7.51 0.02 . 1 . . . . 12 LYS QZ . 11044 1 92 . 1 1 13 13 ASP H H 1 7.84 0.02 . 1 . . . . 13 ASP H . 11044 1 93 . 1 1 13 13 ASP HA H 1 4.59 0.02 . 1 . . . . 13 ASP HA . 11044 1 94 . 1 1 13 13 ASP HB2 H 1 2.93 0.02 . 2 . . . . 13 ASP HB2 . 11044 1 95 . 1 1 13 13 ASP HB3 H 1 3.05 0.02 . 2 . . . . 13 ASP HB3 . 11044 1 96 . 1 1 14 14 CYS H H 1 8.28 0.02 . 1 . . . . 14 CYS H . 11044 1 97 . 1 1 14 14 CYS HA H 1 5.19 0.02 . 1 . . . . 14 CYS HA . 11044 1 98 . 1 1 14 14 CYS HB2 H 1 2.78 0.02 . 2 . . . . 14 CYS HB2 . 11044 1 99 . 1 1 14 14 CYS HB3 H 1 3.16 0.02 . 2 . . . . 14 CYS HB3 . 11044 1 100 . 1 1 15 15 CYS H H 1 9.46 0.02 . 1 . . . . 15 CYS H . 11044 1 101 . 1 1 15 15 CYS HA H 1 4.62 0.02 . 1 . . . . 15 CYS HA . 11044 1 102 . 1 1 15 15 CYS HB2 H 1 2.33 0.02 . 2 . . . . 15 CYS HB2 . 11044 1 103 . 1 1 15 15 CYS HB3 H 1 3.47 0.02 . 2 . . . . 15 CYS HB3 . 11044 1 104 . 1 1 16 16 CYS H H 1 8.72 0.02 . 1 . . . . 16 CYS H . 11044 1 105 . 1 1 16 16 CYS HA H 1 4.47 0.02 . 1 . . . . 16 CYS HA . 11044 1 106 . 1 1 16 16 CYS HB2 H 1 3.13 0.02 . 2 . . . . 16 CYS HB2 . 11044 1 107 . 1 1 16 16 CYS HB3 H 1 3.26 0.02 . 2 . . . . 16 CYS HB3 . 11044 1 108 . 1 1 17 17 GLY H H 1 9.33 0.02 . 1 . . . . 17 GLY H . 11044 1 109 . 1 1 17 17 GLY HA2 H 1 3.23 0.02 . 2 . . . . 17 GLY HA2 . 11044 1 110 . 1 1 17 17 GLY HA3 H 1 4.04 0.02 . 2 . . . . 17 GLY HA3 . 11044 1 111 . 1 1 18 18 TYR H H 1 8.20 0.02 . 1 . . . . 18 TYR H . 11044 1 112 . 1 1 18 18 TYR HA H 1 4.70 0.02 . 1 . . . . 18 TYR HA . 11044 1 113 . 1 1 18 18 TYR HB2 H 1 2.50 0.02 . 2 . . . . 18 TYR HB2 . 11044 1 114 . 1 1 18 18 TYR HB3 H 1 3.37 0.02 . 2 . . . . 18 TYR HB3 . 11044 1 115 . 1 1 18 18 TYR HD1 H 1 6.62 0.02 . 3 . . . . 18 TYR HD1 . 11044 1 116 . 1 1 18 18 TYR HD2 H 1 6.62 0.02 . 3 . . . . 18 TYR HD2 . 11044 1 117 . 1 1 18 18 TYR HE1 H 1 6.62 0.02 . 3 . . . . 18 TYR HE1 . 11044 1 118 . 1 1 18 18 TYR HE2 H 1 6.62 0.02 . 3 . . . . 18 TYR HE2 . 11044 1 119 . 1 1 19 19 ASN H H 1 8.98 0.02 . 1 . . . . 19 ASN H . 11044 1 120 . 1 1 19 19 ASN HA H 1 4.97 0.02 . 1 . . . . 19 ASN HA . 11044 1 121 . 1 1 19 19 ASN HB2 H 1 2.38 0.02 . 2 . . . . 19 ASN HB2 . 11044 1 122 . 1 1 19 19 ASN HB3 H 1 2.61 0.02 . 2 . . . . 19 ASN HB3 . 11044 1 123 . 1 1 19 19 ASN HD21 H 1 6.88 0.02 . 2 . . . . 19 ASN HD21 . 11044 1 124 . 1 1 19 19 ASN HD22 H 1 7.57 0.02 . 2 . . . . 19 ASN HD22 . 11044 1 125 . 1 1 20 20 CYS H H 1 8.68 0.02 . 1 . . . . 20 CYS H . 11044 1 126 . 1 1 20 20 CYS HA H 1 4.87 0.02 . 1 . . . . 20 CYS HA . 11044 1 127 . 1 1 20 20 CYS HB2 H 1 2.59 0.02 . 2 . . . . 20 CYS HB2 . 11044 1 128 . 1 1 20 20 CYS HB3 H 1 2.70 0.02 . 2 . . . . 20 CYS HB3 . 11044 1 129 . 1 1 21 21 VAL H H 1 9.00 0.02 . 1 . . . . 21 VAL H . 11044 1 130 . 1 1 21 21 VAL HA H 1 4.31 0.02 . 1 . . . . 21 VAL HA . 11044 1 131 . 1 1 21 21 VAL HB H 1 1.98 0.02 . 1 . . . . 21 VAL HB . 11044 1 132 . 1 1 21 21 VAL HG11 H 1 0.88 0.02 . 2 . . . . 21 VAL MG1 . 11044 1 133 . 1 1 21 21 VAL HG12 H 1 0.88 0.02 . 2 . . . . 21 VAL MG1 . 11044 1 134 . 1 1 21 21 VAL HG13 H 1 0.88 0.02 . 2 . . . . 21 VAL MG1 . 11044 1 135 . 1 1 21 21 VAL HG21 H 1 0.88 0.02 . 2 . . . . 21 VAL MG2 . 11044 1 136 . 1 1 21 21 VAL HG22 H 1 0.88 0.02 . 2 . . . . 21 VAL MG2 . 11044 1 137 . 1 1 21 21 VAL HG23 H 1 0.88 0.02 . 2 . . . . 21 VAL MG2 . 11044 1 138 . 1 1 22 22 TYR H H 1 8.79 0.02 . 1 . . . . 22 TYR H . 11044 1 139 . 1 1 22 22 TYR HA H 1 4.57 0.02 . 1 . . . . 22 TYR HA . 11044 1 140 . 1 1 22 22 TYR HB2 H 1 2.73 0.02 . 2 . . . . 22 TYR HB2 . 11044 1 141 . 1 1 22 22 TYR HB3 H 1 2.90 0.02 . 2 . . . . 22 TYR HB3 . 11044 1 142 . 1 1 22 22 TYR HD1 H 1 6.87 0.02 . 3 . . . . 22 TYR HD1 . 11044 1 143 . 1 1 22 22 TYR HD2 H 1 6.87 0.02 . 3 . . . . 22 TYR HD2 . 11044 1 144 . 1 1 22 22 TYR HE1 H 1 6.51 0.02 . 3 . . . . 22 TYR HE1 . 11044 1 145 . 1 1 22 22 TYR HE2 H 1 6.51 0.02 . 3 . . . . 22 TYR HE2 . 11044 1 146 . 1 1 23 23 ALA H H 1 7.97 0.02 . 1 . . . . 23 ALA H . 11044 1 147 . 1 1 23 23 ALA HA H 1 4.41 0.02 . 1 . . . . 23 ALA HA . 11044 1 148 . 1 1 23 23 ALA HB1 H 1 1.02 0.02 . 1 . . . . 23 ALA MB . 11044 1 149 . 1 1 23 23 ALA HB2 H 1 1.02 0.02 . 1 . . . . 23 ALA MB . 11044 1 150 . 1 1 23 23 ALA HB3 H 1 1.02 0.02 . 1 . . . . 23 ALA MB . 11044 1 151 . 1 1 24 24 TRP H H 1 8.10 0.02 . 1 . . . . 24 TRP H . 11044 1 152 . 1 1 24 24 TRP HA H 1 4.13 0.02 . 1 . . . . 24 TRP HA . 11044 1 153 . 1 1 24 24 TRP HB2 H 1 3.29 0.02 . 2 . . . . 24 TRP HB2 . 11044 1 154 . 1 1 24 24 TRP HB3 H 1 3.40 0.02 . 2 . . . . 24 TRP HB3 . 11044 1 155 . 1 1 24 24 TRP HD1 H 1 7.43 0.02 . 1 . . . . 24 TRP HD1 . 11044 1 156 . 1 1 24 24 TRP HE1 H 1 10.3 0.02 . 1 . . . . 24 TRP HE1 . 11044 1 157 . 1 1 24 24 TRP HZ2 H 1 7.54 0.02 . 1 . . . . 24 TRP HZ2 . 11044 1 158 . 1 1 25 25 TYR H H 1 6.98 0.02 . 1 . . . . 25 TYR H . 11044 1 159 . 1 1 25 25 TYR HA H 1 3.95 0.02 . 1 . . . . 25 TYR HA . 11044 1 160 . 1 1 25 25 TYR HB2 H 1 2.09 0.02 . 2 . . . . 25 TYR HB2 . 11044 1 161 . 1 1 25 25 TYR HB3 H 1 2.73 0.02 . 2 . . . . 25 TYR HB3 . 11044 1 162 . 1 1 25 25 TYR HD1 H 1 6.66 0.02 . 3 . . . . 25 TYR HD1 . 11044 1 163 . 1 1 25 25 TYR HD2 H 1 6.66 0.02 . 3 . . . . 25 TYR HD2 . 11044 1 164 . 1 1 25 25 TYR HE1 H 1 6.74 0.02 . 3 . . . . 25 TYR HE1 . 11044 1 165 . 1 1 25 25 TYR HE2 H 1 6.74 0.02 . 3 . . . . 25 TYR HE2 . 11044 1 166 . 1 1 26 26 ASN H H 1 6.90 0.02 . 1 . . . . 26 ASN H . 11044 1 167 . 1 1 26 26 ASN HA H 1 4.65 0.02 . 1 . . . . 26 ASN HA . 11044 1 168 . 1 1 26 26 ASN HB2 H 1 2.63 0.02 . 2 . . . . 26 ASN HB2 . 11044 1 169 . 1 1 26 26 ASN HB3 H 1 2.76 0.02 . 2 . . . . 26 ASN HB3 . 11044 1 170 . 1 1 26 26 ASN HD21 H 1 6.57 0.02 . 2 . . . . 26 ASN HD21 . 11044 1 171 . 1 1 26 26 ASN HD22 H 1 7.44 0.02 . 2 . . . . 26 ASN HD22 . 11044 1 172 . 1 1 27 27 GLN H H 1 7.78 0.02 . 1 . . . . 27 GLN H . 11044 1 173 . 1 1 27 27 GLN HA H 1 3.86 0.02 . 1 . . . . 27 GLN HA . 11044 1 174 . 1 1 27 27 GLN HB2 H 1 2.19 0.02 . 2 . . . . 27 GLN HB2 . 11044 1 175 . 1 1 27 27 GLN HB3 H 1 2.31 0.02 . 2 . . . . 27 GLN HB3 . 11044 1 176 . 1 1 27 27 GLN HE21 H 1 6.51 0.02 . 2 . . . . 27 GLN HE21 . 11044 1 177 . 1 1 27 27 GLN HE22 H 1 6.51 0.02 . 2 . . . . 27 GLN HE22 . 11044 1 178 . 1 1 27 27 GLN HG2 H 1 2.34 0.02 . 2 . . . . 27 GLN HG2 . 11044 1 179 . 1 1 27 27 GLN HG3 H 1 2.34 0.02 . 2 . . . . 27 GLN HG3 . 11044 1 180 . 1 1 28 28 GLN H H 1 7.54 0.02 . 1 . . . . 28 GLN H . 11044 1 181 . 1 1 28 28 GLN HA H 1 4.62 0.02 . 1 . . . . 28 GLN HA . 11044 1 182 . 1 1 28 28 GLN HB2 H 1 1.76 0.02 . 2 . . . . 28 GLN HB2 . 11044 1 183 . 1 1 28 28 GLN HB3 H 1 2.10 0.02 . 2 . . . . 28 GLN HB3 . 11044 1 184 . 1 1 28 28 GLN HE21 H 1 7.23 0.02 . 2 . . . . 28 GLN HE21 . 11044 1 185 . 1 1 28 28 GLN HG2 H 1 2.18 0.02 . 2 . . . . 28 GLN HG2 . 11044 1 186 . 1 1 29 29 SER H H 1 8.48 0.02 . 1 . . . . 29 SER H . 11044 1 187 . 1 1 29 29 SER HA H 1 5.30 0.02 . 1 . . . . 29 SER HA . 11044 1 188 . 1 1 29 29 SER HB2 H 1 3.39 0.02 . 2 . . . . 29 SER HB2 . 11044 1 189 . 1 1 29 29 SER HB3 H 1 3.69 0.02 . 2 . . . . 29 SER HB3 . 11044 1 190 . 1 1 30 30 SER H H 1 8.54 0.02 . 1 . . . . 30 SER H . 11044 1 191 . 1 1 30 30 SER HA H 1 5.31 0.02 . 1 . . . . 30 SER HA . 11044 1 192 . 1 1 30 30 SER HB2 H 1 3.39 0.02 . 2 . . . . 30 SER HB2 . 11044 1 193 . 1 1 30 30 SER HB3 H 1 3.69 0.02 . 2 . . . . 30 SER HB3 . 11044 1 194 . 1 1 31 31 CYS H H 1 9.10 0.02 . 1 . . . . 31 CYS H . 11044 1 195 . 1 1 31 31 CYS HA H 1 5.34 0.02 . 1 . . . . 31 CYS HA . 11044 1 196 . 1 1 31 31 CYS HB2 H 1 2.37 0.02 . 2 . . . . 31 CYS HB2 . 11044 1 197 . 1 1 31 31 CYS HB3 H 1 2.99 0.02 . 2 . . . . 31 CYS HB3 . 11044 1 198 . 1 1 32 32 GLU H H 1 9.55 0.02 . 1 . . . . 32 GLU H . 11044 1 199 . 1 1 32 32 GLU HA H 1 4.96 0.02 . 1 . . . . 32 GLU HA . 11044 1 200 . 1 1 32 32 GLU HB2 H 1 1.69 0.02 . 2 . . . . 32 GLU HB2 . 11044 1 201 . 1 1 32 32 GLU HB3 H 1 1.69 0.02 . 2 . . . . 32 GLU HB3 . 11044 1 202 . 1 1 32 32 GLU HG2 H 1 2.24 0.02 . 2 . . . . 32 GLU HG2 . 11044 1 203 . 1 1 32 32 GLU HG3 H 1 2.46 0.02 . 2 . . . . 32 GLU HG3 . 11044 1 204 . 1 1 33 33 ARG H H 1 9.31 0.02 . 1 . . . . 33 ARG H . 11044 1 205 . 1 1 33 33 ARG HA H 1 3.81 0.02 . 1 . . . . 33 ARG HA . 11044 1 206 . 1 1 33 33 ARG HB2 H 1 1.27 0.02 . 2 . . . . 33 ARG HB2 . 11044 1 207 . 1 1 33 33 ARG HB3 H 1 1.49 0.02 . 2 . . . . 33 ARG HB3 . 11044 1 208 . 1 1 33 33 ARG HD2 H 1 2.60 0.02 . 2 . . . . 33 ARG HD2 . 11044 1 209 . 1 1 33 33 ARG HD3 H 1 2.63 0.02 . 2 . . . . 33 ARG HD3 . 11044 1 210 . 1 1 33 33 ARG HE H 1 6.73 0.02 . 1 . . . . 33 ARG HE . 11044 1 211 . 1 1 33 33 ARG HG2 H 1 1.17 0.02 . 2 . . . . 33 ARG HG2 . 11044 1 212 . 1 1 33 33 ARG HG3 H 1 1.17 0.02 . 2 . . . . 33 ARG HG3 . 11044 1 213 . 1 1 34 34 LYS H H 1 8.24 0.02 . 1 . . . . 34 LYS H . 11044 1 214 . 1 1 34 34 LYS HA H 1 4.16 0.02 . 1 . . . . 34 LYS HA . 11044 1 215 . 1 1 34 34 LYS HB2 H 1 1.32 0.02 . 2 . . . . 34 LYS HB2 . 11044 1 216 . 1 1 34 34 LYS HB3 H 1 1.41 0.02 . 2 . . . . 34 LYS HB3 . 11044 1 217 . 1 1 34 34 LYS HD2 H 1 1.40 0.02 . 2 . . . . 34 LYS HD2 . 11044 1 218 . 1 1 34 34 LYS HD3 H 1 1.40 0.02 . 2 . . . . 34 LYS HD3 . 11044 1 219 . 1 1 34 34 LYS HE2 H 1 2.73 0.02 . 2 . . . . 34 LYS HE2 . 11044 1 220 . 1 1 34 34 LYS HE3 H 1 2.73 0.02 . 2 . . . . 34 LYS HE3 . 11044 1 221 . 1 1 34 34 LYS HG2 H 1 1.02 0.02 . 2 . . . . 34 LYS HG2 . 11044 1 222 . 1 1 34 34 LYS HG3 H 1 1.02 0.02 . 2 . . . . 34 LYS HG3 . 11044 1 223 . 1 1 34 34 LYS HZ1 H 1 7.55 0.02 . 1 . . . . 34 LYS QZ . 11044 1 224 . 1 1 34 34 LYS HZ2 H 1 7.55 0.02 . 1 . . . . 34 LYS QZ . 11044 1 225 . 1 1 34 34 LYS HZ3 H 1 7.55 0.02 . 1 . . . . 34 LYS QZ . 11044 1 226 . 1 1 35 35 TRP H H 1 7.85 0.02 . 1 . . . . 35 TRP H . 11044 1 227 . 1 1 35 35 TRP HA H 1 4.69 0.02 . 1 . . . . 35 TRP HA . 11044 1 228 . 1 1 35 35 TRP HB2 H 1 3.14 0.02 . 2 . . . . 35 TRP HB2 . 11044 1 229 . 1 1 35 35 TRP HB3 H 1 3.25 0.02 . 2 . . . . 35 TRP HB3 . 11044 1 230 . 1 1 35 35 TRP HD1 H 1 7.20 0.02 . 1 . . . . 35 TRP HD1 . 11044 1 231 . 1 1 35 35 TRP HE1 H 1 10.1 0.02 . 1 . . . . 35 TRP HE1 . 11044 1 232 . 1 1 35 35 TRP HH2 H 1 7.38 0.02 . 1 . . . . 35 TRP HH2 . 11044 1 233 . 1 1 35 35 TRP HZ2 H 1 7.38 0.02 . 1 . . . . 35 TRP HZ2 . 11044 1 234 . 1 1 35 35 TRP HZ3 H 1 7.19 0.02 . 1 . . . . 35 TRP HZ3 . 11044 1 235 . 1 1 36 36 LYS H H 1 8.36 0.02 . 1 . . . . 36 LYS H . 11044 1 236 . 1 1 36 36 LYS HA H 1 3.97 0.02 . 1 . . . . 36 LYS HA . 11044 1 237 . 1 1 36 36 LYS HB2 H 1 1.54 0.02 . 2 . . . . 36 LYS HB2 . 11044 1 238 . 1 1 36 36 LYS HB3 H 1 1.54 0.02 . 2 . . . . 36 LYS HB3 . 11044 1 239 . 1 1 36 36 LYS HD2 H 1 1.54 0.02 . 2 . . . . 36 LYS HD2 . 11044 1 240 . 1 1 36 36 LYS HD3 H 1 1.54 0.02 . 2 . . . . 36 LYS HD3 . 11044 1 241 . 1 1 36 36 LYS HE2 H 1 2.84 0.02 . 2 . . . . 36 LYS HE2 . 11044 1 242 . 1 1 36 36 LYS HE3 H 1 2.84 0.02 . 2 . . . . 36 LYS HE3 . 11044 1 243 . 1 1 36 36 LYS HG2 H 1 0.96 0.02 . 2 . . . . 36 LYS HG2 . 11044 1 244 . 1 1 36 36 LYS HG3 H 1 1.06 0.02 . 2 . . . . 36 LYS HG3 . 11044 1 245 . 1 1 36 36 LYS HZ1 H 1 7.49 0.02 . 1 . . . . 36 LYS QZ . 11044 1 246 . 1 1 36 36 LYS HZ2 H 1 7.49 0.02 . 1 . . . . 36 LYS QZ . 11044 1 247 . 1 1 36 36 LYS HZ3 H 1 7.49 0.02 . 1 . . . . 36 LYS QZ . 11044 1 248 . 1 1 37 37 TYR H H 1 7.75 0.02 . 1 . . . . 37 TYR H . 11044 1 249 . 1 1 37 37 TYR HA H 1 4.52 0.02 . 1 . . . . 37 TYR HA . 11044 1 250 . 1 1 37 37 TYR HB2 H 1 2.84 0.02 . 2 . . . . 37 TYR HB2 . 11044 1 251 . 1 1 37 37 TYR HB3 H 1 2.96 0.02 . 2 . . . . 37 TYR HB3 . 11044 1 252 . 1 1 37 37 TYR HD1 H 1 7.00 0.02 . 3 . . . . 37 TYR HD1 . 11044 1 253 . 1 1 37 37 TYR HE1 H 1 6.75 0.02 . 3 . . . . 37 TYR HE1 . 11044 1 254 . 1 1 38 38 LEU H H 1 8.02 0.02 . 1 . . . . 38 LEU H . 11044 1 255 . 1 1 38 38 LEU HA H 1 4.20 0.02 . 1 . . . . 38 LEU HA . 11044 1 256 . 1 1 38 38 LEU HB2 H 1 1.45 0.02 . 2 . . . . 38 LEU HB2 . 11044 1 257 . 1 1 38 38 LEU HB3 H 1 1.45 0.02 . 2 . . . . 38 LEU HB3 . 11044 1 258 . 1 1 38 38 LEU HD11 H 1 0.76 0.02 . 2 . . . . 38 LEU MD1 . 11044 1 259 . 1 1 38 38 LEU HD12 H 1 0.76 0.02 . 2 . . . . 38 LEU MD1 . 11044 1 260 . 1 1 38 38 LEU HD13 H 1 0.76 0.02 . 2 . . . . 38 LEU MD1 . 11044 1 261 . 1 1 38 38 LEU HD21 H 1 0.83 0.02 . 2 . . . . 38 LEU MD2 . 11044 1 262 . 1 1 38 38 LEU HD22 H 1 0.83 0.02 . 2 . . . . 38 LEU MD2 . 11044 1 263 . 1 1 38 38 LEU HD23 H 1 0.83 0.02 . 2 . . . . 38 LEU MD2 . 11044 1 264 . 1 1 38 38 LEU HG H 1 1.40 0.02 . 1 . . . . 38 LEU HG . 11044 1 265 . 1 1 39 39 PHE H H 1 7.89 0.02 . 1 . . . . 39 PHE H . 11044 1 266 . 1 1 39 39 PHE HA H 1 4.53 0.02 . 1 . . . . 39 PHE HA . 11044 1 267 . 1 1 39 39 PHE HB2 H 1 2.76 0.02 . 2 . . . . 39 PHE HB2 . 11044 1 268 . 1 1 39 39 PHE HB3 H 1 2.97 0.02 . 2 . . . . 39 PHE HB3 . 11044 1 269 . 1 1 39 39 PHE HD1 H 1 7.10 0.02 . 3 . . . . 39 PHE HD1 . 11044 1 270 . 1 1 39 39 PHE HD2 H 1 7.22 0.02 . 3 . . . . 39 PHE HD2 . 11044 1 271 . 1 1 40 40 THR H H 1 8.06 0.02 . 1 . . . . 40 THR H . 11044 1 272 . 1 1 40 40 THR HA H 1 4.17 0.02 . 1 . . . . 40 THR HA . 11044 1 273 . 1 1 40 40 THR HB H 1 4.17 0.02 . 1 . . . . 40 THR HB . 11044 1 274 . 1 1 41 41 GLY H H 1 7.50 0.02 . 1 . . . . 41 GLY H . 11044 1 275 . 1 1 41 41 GLY HA2 H 1 3.70 0.02 . 2 . . . . 41 GLY HA2 . 11044 1 276 . 1 1 41 41 GLY HA3 H 1 3.91 0.02 . 2 . . . . 41 GLY HA3 . 11044 1 277 . 1 1 42 42 GLU H H 1 7.88 0.02 . 1 . . . . 42 GLU H . 11044 1 278 . 1 1 42 42 GLU HA H 1 4.35 0.02 . 1 . . . . 42 GLU HA . 11044 1 279 . 1 1 42 42 GLU HB2 H 1 1.79 0.02 . 2 . . . . 42 GLU HB2 . 11044 1 280 . 1 1 42 42 GLU HB3 H 1 2.04 0.02 . 2 . . . . 42 GLU HB3 . 11044 1 281 . 1 1 42 42 GLU HG2 H 1 2.39 0.02 . 2 . . . . 42 GLU HG2 . 11044 1 282 . 1 1 42 42 GLU HG3 H 1 2.39 0.02 . 2 . . . . 42 GLU HG3 . 11044 1 283 . 1 1 43 43 CYS H H 1 8.43 0.02 . 1 . . . . 43 CYS H . 11044 1 284 . 1 1 43 43 CYS HA H 1 4.70 0.02 . 1 . . . . 43 CYS HA . 11044 1 285 . 1 1 43 43 CYS HB2 H 1 3.00 0.02 . 2 . . . . 43 CYS HB2 . 11044 1 286 . 1 1 43 43 CYS HB3 H 1 3.40 0.02 . 2 . . . . 43 CYS HB3 . 11044 1 stop_ save_