################################### # 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 17823 _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 . _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 NOESY' . . . 17823 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 LEU HA H 1 3.979 0.01 . 1 . . . A 1 LEU HA . 17823 1 2 . 1 1 1 1 LEU HB2 H 1 1.586 0.01 . 2 . . . A 1 LEU HB2 . 17823 1 3 . 1 1 1 1 LEU HB3 H 1 1.691 0.01 . 2 . . . A 1 LEU HB3 . 17823 1 4 . 1 1 1 1 LEU HG H 1 1.430 0.01 . 1 . . . A 1 LEU HG . 17823 1 5 . 1 1 1 1 LEU HD11 H 1 0.870 0.01 . 2 . . . A 1 LEU HD11 . 17823 1 6 . 1 1 1 1 LEU HD12 H 1 0.870 0.01 . 2 . . . A 1 LEU HD12 . 17823 1 7 . 1 1 1 1 LEU HD13 H 1 0.870 0.01 . 2 . . . A 1 LEU HD13 . 17823 1 8 . 1 1 1 1 LEU HD21 H 1 0.840 0.01 . 2 . . . A 1 LEU HD21 . 17823 1 9 . 1 1 1 1 LEU HD22 H 1 0.840 0.01 . 2 . . . A 1 LEU HD22 . 17823 1 10 . 1 1 1 1 LEU HD23 H 1 0.840 0.01 . 2 . . . A 1 LEU HD23 . 17823 1 11 . 1 1 2 2 VAL H H 1 8.658 0.01 . 1 . . . A 2 VAL H . 17823 1 12 . 1 1 2 2 VAL HA H 1 4.431 0.01 . 1 . . . A 2 VAL HA . 17823 1 13 . 1 1 2 2 VAL HB H 1 1.868 0.01 . 1 . . . A 2 VAL HB . 17823 1 14 . 1 1 2 2 VAL HG11 H 1 0.697 0.01 . 2 . . . A 2 VAL HG11 . 17823 1 15 . 1 1 2 2 VAL HG12 H 1 0.697 0.01 . 2 . . . A 2 VAL HG12 . 17823 1 16 . 1 1 2 2 VAL HG13 H 1 0.697 0.01 . 2 . . . A 2 VAL HG13 . 17823 1 17 . 1 1 2 2 VAL HG21 H 1 0.869 0.01 . 2 . . . A 2 VAL HG21 . 17823 1 18 . 1 1 2 2 VAL HG22 H 1 0.869 0.01 . 2 . . . A 2 VAL HG22 . 17823 1 19 . 1 1 2 2 VAL HG23 H 1 0.869 0.01 . 2 . . . A 2 VAL HG23 . 17823 1 20 . 1 1 3 3 LEU H H 1 8.823 0.01 . 1 . . . A 3 LEU H . 17823 1 21 . 1 1 3 3 LEU HA H 1 4.592 0.01 . 1 . . . A 3 LEU HA . 17823 1 22 . 1 1 3 3 LEU HB2 H 1 1.450 0.01 . 2 . . . A 3 LEU HB2 . 17823 1 23 . 1 1 3 3 LEU HB3 H 1 1.655 0.01 . 4 . . . A 3 LEU HB3 . 17823 1 24 . 1 1 3 3 LEU HG H 1 1.655 0.01 . 4 . . . A 3 LEU HG . 17823 1 25 . 1 1 3 3 LEU HD11 H 1 0.936 0.01 . 2 . . . A 3 LEU HD11 . 17823 1 26 . 1 1 3 3 LEU HD12 H 1 0.936 0.01 . 2 . . . A 3 LEU HD12 . 17823 1 27 . 1 1 3 3 LEU HD13 H 1 0.936 0.01 . 2 . . . A 3 LEU HD13 . 17823 1 28 . 1 1 3 3 LEU HD21 H 1 0.696 0.01 . 2 . . . A 3 LEU HD21 . 17823 1 29 . 1 1 3 3 LEU HD22 H 1 0.696 0.01 . 2 . . . A 3 LEU HD22 . 17823 1 30 . 1 1 3 3 LEU HD23 H 1 0.696 0.01 . 2 . . . A 3 LEU HD23 . 17823 1 31 . 1 1 4 4 LYS H H 1 8.943 0.01 . 1 . . . A 4 LYS H . 17823 1 32 . 1 1 4 4 LYS HA H 1 3.989 0.01 . 1 . . . A 4 LYS HA . 17823 1 33 . 1 1 4 4 LYS HB2 H 1 1.733 0.01 . 2 . . . A 4 LYS HB2 . 17823 1 34 . 1 1 4 4 LYS HB3 H 1 1.858 0.01 . 2 . . . A 4 LYS HB3 . 17823 1 35 . 1 1 4 4 LYS HG2 H 1 1.415 0.01 . 2 . . . A 4 LYS HG2 . 17823 1 36 . 1 1 4 4 LYS HG3 H 1 1.415 0.01 . 2 . . . A 4 LYS HG3 . 17823 1 37 . 1 1 4 4 LYS HD2 H 1 1.548 0.01 . 2 . . . A 4 LYS HD2 . 17823 1 38 . 1 1 4 4 LYS HD3 H 1 1.548 0.01 . 2 . . . A 4 LYS HD3 . 17823 1 39 . 1 1 4 4 LYS HE2 H 1 3.023 0.01 . 2 . . . A 4 LYS HE2 . 17823 1 40 . 1 1 4 4 LYS HE3 H 1 3.023 0.01 . 2 . . . A 4 LYS HE3 . 17823 1 41 . 1 1 5 5 TYR H H 1 7.196 0.01 . 1 . . . A 5 TYR H . 17823 1 42 . 1 1 5 5 TYR HA H 1 4.649 0.01 . 1 . . . A 5 TYR HA . 17823 1 43 . 1 1 5 5 TYR HB2 H 1 2.851 0.01 . 2 . . . A 5 TYR HB2 . 17823 1 44 . 1 1 5 5 TYR HB3 H 1 3.199 0.01 . 2 . . . A 5 TYR HB3 . 17823 1 45 . 1 1 5 5 TYR HD1 H 1 6.844 0.01 . 4 . . . A 5 TYR HD1 . 17823 1 46 . 1 1 5 5 TYR HD2 H 1 6.844 0.01 . 4 . . . A 5 TYR HD2 . 17823 1 47 . 1 1 5 5 TYR HE1 H 1 6.844 0.01 . 4 . . . A 5 TYR HE1 . 17823 1 48 . 1 1 5 5 TYR HE2 H 1 6.844 0.01 . 4 . . . A 5 TYR HE2 . 17823 1 49 . 1 1 6 6 CYS H H 1 9.152 0.01 . 1 . . . A 6 CYS H . 17823 1 50 . 1 1 6 6 CYS HA H 1 5.044 0.01 . 1 . . . A 6 CYS HA . 17823 1 51 . 1 1 6 6 CYS HB2 H 1 2.791 0.01 . 2 . . . A 6 CYS HB2 . 17823 1 52 . 1 1 6 6 CYS HB3 H 1 3.138 0.01 . 2 . . . A 6 CYS HB3 . 17823 1 53 . 1 1 7 7 PRO HA H 1 4.524 0.01 . 1 . . . A 7 PRO HA . 17823 1 54 . 1 1 7 7 PRO HB2 H 1 1.879 0.01 . 2 . . . A 7 PRO HB2 . 17823 1 55 . 1 1 7 7 PRO HB3 H 1 2.471 0.01 . 2 . . . A 7 PRO HB3 . 17823 1 56 . 1 1 7 7 PRO HG2 H 1 1.414 0.01 . 2 . . . A 7 PRO HG2 . 17823 1 57 . 1 1 7 7 PRO HG3 H 1 1.754 0.01 . 2 . . . A 7 PRO HG3 . 17823 1 58 . 1 1 7 7 PRO HD2 H 1 3.234 0.01 . 2 . . . A 7 PRO HD2 . 17823 1 59 . 1 1 7 7 PRO HD3 H 1 4.079 0.01 . 2 . . . A 7 PRO HD3 . 17823 1 60 . 1 1 8 8 LYS H H 1 8.703 0.01 . 1 . . . A 8 LYS H . 17823 1 61 . 1 1 8 8 LYS HA H 1 4.143 0.01 . 1 . . . A 8 LYS HA . 17823 1 62 . 1 1 8 8 LYS HB2 H 1 1.933 0.01 . 2 . . . A 8 LYS HB2 . 17823 1 63 . 1 1 8 8 LYS HB3 H 1 1.933 0.01 . 2 . . . A 8 LYS HB3 . 17823 1 64 . 1 1 8 8 LYS HG2 H 1 1.588 0.01 . 2 . . . A 8 LYS HG2 . 17823 1 65 . 1 1 8 8 LYS HG3 H 1 1.588 0.01 . 2 . . . A 8 LYS HG3 . 17823 1 66 . 1 1 8 8 LYS HD2 H 1 1.719 0.01 . 2 . . . A 8 LYS HD2 . 17823 1 67 . 1 1 8 8 LYS HD3 H 1 1.719 0.01 . 2 . . . A 8 LYS HD3 . 17823 1 68 . 1 1 8 8 LYS HE2 H 1 3.038 0.01 . 2 . . . A 8 LYS HE2 . 17823 1 69 . 1 1 8 8 LYS HE3 H 1 3.038 0.01 . 2 . . . A 8 LYS HE3 . 17823 1 70 . 1 1 9 9 ILE H H 1 7.171 0.01 . 1 . . . A 9 ILE H . 17823 1 71 . 1 1 9 9 ILE HA H 1 4.341 0.01 . 1 . . . A 9 ILE HA . 17823 1 72 . 1 1 9 9 ILE HB H 1 2.025 0.01 . 1 . . . A 9 ILE HB . 17823 1 73 . 1 1 9 9 ILE HG12 H 1 1.337 0.01 . 2 . . . A 9 ILE HG12 . 17823 1 74 . 1 1 9 9 ILE HG13 H 1 1.337 0.01 . 2 . . . A 9 ILE HG13 . 17823 1 75 . 1 1 9 9 ILE HG21 H 1 0.871 0.01 . 1 . . . A 9 ILE HG21 . 17823 1 76 . 1 1 9 9 ILE HG22 H 1 0.871 0.01 . 1 . . . A 9 ILE HG22 . 17823 1 77 . 1 1 9 9 ILE HG23 H 1 0.871 0.01 . 1 . . . A 9 ILE HG23 . 17823 1 78 . 1 1 9 9 ILE HD11 H 1 0.977 0.01 . 1 . . . A 9 ILE HD11 . 17823 1 79 . 1 1 9 9 ILE HD12 H 1 0.977 0.01 . 1 . . . A 9 ILE HD12 . 17823 1 80 . 1 1 9 9 ILE HD13 H 1 0.977 0.01 . 1 . . . A 9 ILE HD13 . 17823 1 81 . 1 1 10 10 GLY H H 1 8.237 0.01 . 1 . . . A 10 GLY H . 17823 1 82 . 1 1 10 10 GLY HA2 H 1 3.257 0.01 . 2 . . . A 10 GLY HA2 . 17823 1 83 . 1 1 10 10 GLY HA3 H 1 4.655 0.01 . 2 . . . A 10 GLY HA3 . 17823 1 84 . 1 1 11 11 TYR H H 1 7.230 0.01 . 1 . . . A 11 TYR H . 17823 1 85 . 1 1 11 11 TYR HA H 1 4.767 0.01 . 1 . . . A 11 TYR HA . 17823 1 86 . 1 1 11 11 TYR HB2 H 1 2.862 0.01 . 2 . . . A 11 TYR HB2 . 17823 1 87 . 1 1 11 11 TYR HB3 H 1 3.129 0.01 . 2 . . . A 11 TYR HB3 . 17823 1 88 . 1 1 11 11 TYR HD1 H 1 6.837 0.01 . 3 . . . A 11 TYR HD1 . 17823 1 89 . 1 1 11 11 TYR HD2 H 1 6.837 0.01 . 3 . . . A 11 TYR HD2 . 17823 1 90 . 1 1 11 11 TYR HE1 H 1 6.724 0.01 . 3 . . . A 11 TYR HE1 . 17823 1 91 . 1 1 11 11 TYR HE2 H 1 6.724 0.01 . 3 . . . A 11 TYR HE2 . 17823 1 92 . 1 1 12 12 CYS H H 1 8.956 0.01 . 1 . . . A 12 CYS H . 17823 1 93 . 1 1 12 12 CYS HA H 1 5.897 0.01 . 1 . . . A 12 CYS HA . 17823 1 94 . 1 1 12 12 CYS HB2 H 1 2.774 0.01 . 2 . . . A 12 CYS HB2 . 17823 1 95 . 1 1 12 12 CYS HB3 H 1 3.431 0.01 . 2 . . . A 12 CYS HB3 . 17823 1 96 . 1 1 13 13 SER HA H 1 4.692 0.01 . 1 . . . A 13 SER HA . 17823 1 97 . 1 1 13 13 SER HB2 H 1 3.771 0.01 . 2 . . . A 13 SER HB2 . 17823 1 98 . 1 1 13 13 SER HB3 H 1 3.924 0.01 . 2 . . . A 13 SER HB3 . 17823 1 99 . 1 1 14 14 ASN H H 1 8.721 0.01 . 1 . . . A 14 ASN H . 17823 1 100 . 1 1 14 14 ASN HA H 1 4.757 0.01 . 1 . . . A 14 ASN HA . 17823 1 101 . 1 1 14 14 ASN HB2 H 1 2.983 0.01 . 2 . . . A 14 ASN HB2 . 17823 1 102 . 1 1 14 14 ASN HB3 H 1 2.983 0.01 . 2 . . . A 14 ASN HB3 . 17823 1 103 . 1 1 14 14 ASN HD21 H 1 7.733 0.01 . 2 . . . A 14 ASN HD21 . 17823 1 104 . 1 1 14 14 ASN HD22 H 1 6.980 0.01 . 2 . . . A 14 ASN HD22 . 17823 1 105 . 1 1 15 15 THR H H 1 7.640 0.01 . 1 . . . A 15 THR H . 17823 1 106 . 1 1 15 15 THR HA H 1 4.111 0.01 . 1 . . . A 15 THR HA . 17823 1 107 . 1 1 15 15 THR HB H 1 4.046 0.01 . 1 . . . A 15 THR HB . 17823 1 108 . 1 1 15 15 THR HG21 H 1 1.237 0.01 . 1 . . . A 15 THR HG21 . 17823 1 109 . 1 1 15 15 THR HG22 H 1 1.237 0.01 . 1 . . . A 15 THR HG22 . 17823 1 110 . 1 1 15 15 THR HG23 H 1 1.237 0.01 . 1 . . . A 15 THR HG23 . 17823 1 111 . 1 1 16 16 CYS H H 1 4.379 0.01 . 1 . . . A 16 CYS H . 17823 1 112 . 1 1 16 16 CYS HA H 1 4.858 0.01 . 1 . . . A 16 CYS HA . 17823 1 113 . 1 1 16 16 CYS HB2 H 1 -0.488 0.01 . 2 . . . A 16 CYS HB2 . 17823 1 114 . 1 1 16 16 CYS HB3 H 1 2.730 0.01 . 2 . . . A 16 CYS HB3 . 17823 1 115 . 1 1 17 17 SER H H 1 8.375 0.01 . 1 . . . A 17 SER H . 17823 1 116 . 1 1 17 17 SER HA H 1 4.639 0.01 . 1 . . . A 17 SER HA . 17823 1 117 . 1 1 17 17 SER HB2 H 1 3.782 0.01 . 2 . . . A 17 SER HB2 . 17823 1 118 . 1 1 17 17 SER HB3 H 1 4.076 0.01 . 2 . . . A 17 SER HB3 . 17823 1 119 . 1 1 18 18 LYS H H 1 8.794 0.01 . 1 . . . A 18 LYS H . 17823 1 120 . 1 1 18 18 LYS HA H 1 4.406 0.01 . 1 . . . A 18 LYS HA . 17823 1 121 . 1 1 18 18 LYS HB2 H 1 2.011 0.01 . 2 . . . A 18 LYS HB2 . 17823 1 122 . 1 1 18 18 LYS HB3 H 1 2.011 0.01 . 2 . . . A 18 LYS HB3 . 17823 1 123 . 1 1 18 18 LYS HG2 H 1 1.639 0.01 . 2 . . . A 18 LYS HG2 . 17823 1 124 . 1 1 18 18 LYS HG3 H 1 1.639 0.01 . 2 . . . A 18 LYS HG3 . 17823 1 125 . 1 1 18 18 LYS HD2 H 1 1.754 0.01 . 2 . . . A 18 LYS HD2 . 17823 1 126 . 1 1 18 18 LYS HD3 H 1 1.754 0.01 . 2 . . . A 18 LYS HD3 . 17823 1 127 . 1 1 18 18 LYS HE2 H 1 3.060 0.01 . 2 . . . A 18 LYS HE2 . 17823 1 128 . 1 1 18 18 LYS HE3 H 1 3.060 0.01 . 2 . . . A 18 LYS HE3 . 17823 1 129 . 1 1 19 19 THR H H 1 8.057 0.01 . 1 . . . A 19 THR H . 17823 1 130 . 1 1 19 19 THR HA H 1 4.471 0.01 . 1 . . . A 19 THR HA . 17823 1 131 . 1 1 19 19 THR HB H 1 4.586 0.01 . 1 . . . A 19 THR HB . 17823 1 132 . 1 1 19 19 THR HG21 H 1 1.227 0.01 . 1 . . . A 19 THR HG21 . 17823 1 133 . 1 1 19 19 THR HG22 H 1 1.227 0.01 . 1 . . . A 19 THR HG22 . 17823 1 134 . 1 1 19 19 THR HG23 H 1 1.227 0.01 . 1 . . . A 19 THR HG23 . 17823 1 135 . 1 1 20 20 GLN H H 1 7.264 0.01 . 1 . . . A 20 GLN H . 17823 1 136 . 1 1 20 20 GLN HA H 1 4.577 0.01 . 1 . . . A 20 GLN HA . 17823 1 137 . 1 1 20 20 GLN HB2 H 1 1.844 0.01 . 2 . . . A 20 GLN HB2 . 17823 1 138 . 1 1 20 20 GLN HB3 H 1 1.925 0.01 . 2 . . . A 20 GLN HB3 . 17823 1 139 . 1 1 20 20 GLN HG2 H 1 2.253 0.01 . 2 . . . A 20 GLN HG2 . 17823 1 140 . 1 1 20 20 GLN HG3 H 1 2.374 0.01 . 2 . . . A 20 GLN HG3 . 17823 1 141 . 1 1 20 20 GLN HE21 H 1 7.642 0.01 . 2 . . . A 20 GLN HE21 . 17823 1 142 . 1 1 20 20 GLN HE22 H 1 6.991 0.01 . 2 . . . A 20 GLN HE22 . 17823 1 143 . 1 1 21 21 ILE H H 1 9.161 0.01 . 1 . . . A 21 ILE H . 17823 1 144 . 1 1 21 21 ILE HA H 1 4.267 0.01 . 1 . . . A 21 ILE HA . 17823 1 145 . 1 1 21 21 ILE HB H 1 1.707 0.01 . 1 . . . A 21 ILE HB . 17823 1 146 . 1 1 21 21 ILE HG12 H 1 1.289 0.01 . 2 . . . A 21 ILE HG12 . 17823 1 147 . 1 1 21 21 ILE HG13 H 1 1.643 0.01 . 2 . . . A 21 ILE HG13 . 17823 1 148 . 1 1 21 21 ILE HG21 H 1 0.967 0.01 . 1 . . . A 21 ILE HG21 . 17823 1 149 . 1 1 21 21 ILE HG22 H 1 0.967 0.01 . 1 . . . A 21 ILE HG22 . 17823 1 150 . 1 1 21 21 ILE HG23 H 1 0.967 0.01 . 1 . . . A 21 ILE HG23 . 17823 1 151 . 1 1 21 21 ILE HD11 H 1 1.114 0.01 . 1 . . . A 21 ILE HD11 . 17823 1 152 . 1 1 21 21 ILE HD12 H 1 1.114 0.01 . 1 . . . A 21 ILE HD12 . 17823 1 153 . 1 1 21 21 ILE HD13 H 1 1.114 0.01 . 1 . . . A 21 ILE HD13 . 17823 1 154 . 1 1 22 22 TRP H H 1 9.220 0.01 . 1 . . . A 22 TRP H . 17823 1 155 . 1 1 22 22 TRP HA H 1 4.894 0.01 . 1 . . . A 22 TRP HA . 17823 1 156 . 1 1 22 22 TRP HB2 H 1 2.534 0.01 . 2 . . . A 22 TRP HB2 . 17823 1 157 . 1 1 22 22 TRP HB3 H 1 2.979 0.01 . 2 . . . A 22 TRP HB3 . 17823 1 158 . 1 1 22 22 TRP HD1 H 1 7.370 0.01 . 1 . . . A 22 TRP HD1 . 17823 1 159 . 1 1 22 22 TRP HE1 H 1 9.569 0.01 . 1 . . . A 22 TRP HE1 . 17823 1 160 . 1 1 22 22 TRP HE3 H 1 5.686 0.01 . 1 . . . A 22 TRP HE3 . 17823 1 161 . 1 1 22 22 TRP HZ2 H 1 7.281 0.01 . 1 . . . A 22 TRP HZ2 . 17823 1 162 . 1 1 22 22 TRP HZ3 H 1 6.925 0.01 . 1 . . . A 22 TRP HZ3 . 17823 1 163 . 1 1 22 22 TRP HH2 H 1 7.225 0.01 . 1 . . . A 22 TRP HH2 . 17823 1 164 . 1 1 23 23 ALA H H 1 8.124 0.01 . 1 . . . A 23 ALA H . 17823 1 165 . 1 1 23 23 ALA HA H 1 4.857 0.01 . 1 . . . A 23 ALA HA . 17823 1 166 . 1 1 23 23 ALA HB1 H 1 1.400 0.01 . 1 . . . A 23 ALA HB1 . 17823 1 167 . 1 1 23 23 ALA HB2 H 1 1.400 0.01 . 1 . . . A 23 ALA HB2 . 17823 1 168 . 1 1 23 23 ALA HB3 H 1 1.400 0.01 . 1 . . . A 23 ALA HB3 . 17823 1 169 . 1 1 24 24 THR H H 1 8.577 0.01 . 1 . . . A 24 THR H . 17823 1 170 . 1 1 24 24 THR HA H 1 4.686 0.01 . 1 . . . A 24 THR HA . 17823 1 171 . 1 1 24 24 THR HB H 1 4.214 0.01 . 1 . . . A 24 THR HB . 17823 1 172 . 1 1 24 24 THR HG21 H 1 1.257 0.01 . 1 . . . A 24 THR HG21 . 17823 1 173 . 1 1 24 24 THR HG22 H 1 1.257 0.01 . 1 . . . A 24 THR HG22 . 17823 1 174 . 1 1 24 24 THR HG23 H 1 1.257 0.01 . 1 . . . A 24 THR HG23 . 17823 1 175 . 1 1 25 25 SER H H 1 9.536 0.01 . 1 . . . A 25 SER H . 17823 1 176 . 1 1 25 25 SER HA H 1 5.093 0.01 . 1 . . . A 25 SER HA . 17823 1 177 . 1 1 25 25 SER HB2 H 1 3.172 0.01 . 2 . . . A 25 SER HB2 . 17823 1 178 . 1 1 25 25 SER HB3 H 1 3.370 0.01 . 2 . . . A 25 SER HB3 . 17823 1 179 . 1 1 26 26 HIS H H 1 7.845 0.01 . 1 . . . A 26 HIS H . 17823 1 180 . 1 1 26 26 HIS HA H 1 4.497 0.01 . 1 . . . A 26 HIS HA . 17823 1 181 . 1 1 26 26 HIS HB2 H 1 3.190 0.01 . 2 . . . A 26 HIS HB2 . 17823 1 182 . 1 1 26 26 HIS HB3 H 1 3.251 0.01 . 2 . . . A 26 HIS HB3 . 17823 1 183 . 1 1 27 27 GLY HA2 H 1 3.717 0.01 . 2 . . . A 27 GLY HA2 . 17823 1 184 . 1 1 27 27 GLY HA3 H 1 4.121 0.01 . 2 . . . A 27 GLY HA3 . 17823 1 185 . 1 1 28 28 CYS H H 1 7.329 0.01 . 1 . . . A 28 CYS H . 17823 1 186 . 1 1 28 28 CYS HA H 1 5.139 0.01 . 1 . . . A 28 CYS HA . 17823 1 187 . 1 1 28 28 CYS HB2 H 1 2.582 0.01 . 2 . . . A 28 CYS HB2 . 17823 1 188 . 1 1 28 28 CYS HB3 H 1 3.024 0.01 . 2 . . . A 28 CYS HB3 . 17823 1 189 . 1 1 29 29 LYS H H 1 9.020 0.01 . 1 . . . A 29 LYS H . 17823 1 190 . 1 1 29 29 LYS HA H 1 4.061 0.01 . 1 . . . A 29 LYS HA . 17823 1 191 . 1 1 29 29 LYS HB2 H 1 1.784 0.01 . 2 . . . A 29 LYS HB2 . 17823 1 192 . 1 1 29 29 LYS HB3 H 1 1.784 0.01 . 2 . . . A 29 LYS HB3 . 17823 1 193 . 1 1 29 29 LYS HG2 H 1 1.413 0.01 . 2 . . . A 29 LYS HG2 . 17823 1 194 . 1 1 29 29 LYS HG3 H 1 1.490 0.01 . 2 . . . A 29 LYS HG3 . 17823 1 195 . 1 1 29 29 LYS HD2 H 1 1.684 0.01 . 2 . . . A 29 LYS HD2 . 17823 1 196 . 1 1 29 29 LYS HD3 H 1 1.684 0.01 . 2 . . . A 29 LYS HD3 . 17823 1 197 . 1 1 29 29 LYS HE2 H 1 2.990 0.01 . 2 . . . A 29 LYS HE2 . 17823 1 198 . 1 1 29 29 LYS HE3 H 1 2.990 0.01 . 2 . . . A 29 LYS HE3 . 17823 1 199 . 1 1 30 30 MET HA H 1 4.501 0.01 . 1 . . . A 30 MET HA . 17823 1 200 . 1 1 30 30 MET HB2 H 1 1.910 0.01 . 2 . . . A 30 MET HB2 . 17823 1 201 . 1 1 30 30 MET HB3 H 1 1.910 0.01 . 2 . . . A 30 MET HB3 . 17823 1 202 . 1 1 30 30 MET HG2 H 1 2.364 0.01 . 2 . . . A 30 MET HG2 . 17823 1 203 . 1 1 30 30 MET HG3 H 1 2.364 0.01 . 2 . . . A 30 MET HG3 . 17823 1 204 . 1 1 30 30 MET HE1 H 1 2.080 0.01 . 1 . . . A 30 MET HE1 . 17823 1 205 . 1 1 30 30 MET HE2 H 1 2.080 0.01 . 1 . . . A 30 MET HE2 . 17823 1 206 . 1 1 30 30 MET HE3 H 1 2.080 0.01 . 1 . . . A 30 MET HE3 . 17823 1 207 . 1 1 31 31 TYR H H 1 7.863 0.01 . 1 . . . A 31 TYR H . 17823 1 208 . 1 1 31 31 TYR HA H 1 5.115 0.01 . 1 . . . A 31 TYR HA . 17823 1 209 . 1 1 31 31 TYR HB2 H 1 2.516 0.01 . 2 . . . A 31 TYR HB2 . 17823 1 210 . 1 1 31 31 TYR HB3 H 1 2.804 0.01 . 2 . . . A 31 TYR HB3 . 17823 1 211 . 1 1 31 31 TYR HD1 H 1 7.001 0.01 . 4 . . . A 31 TYR HD1 . 17823 1 212 . 1 1 31 31 TYR HD2 H 1 7.001 0.01 . 4 . . . A 31 TYR HD2 . 17823 1 213 . 1 1 31 31 TYR HE1 H 1 7.001 0.01 . 4 . . . A 31 TYR HE1 . 17823 1 214 . 1 1 31 31 TYR HE2 H 1 7.001 0.01 . 4 . . . A 31 TYR HE2 . 17823 1 215 . 1 1 32 32 CYS H H 1 8.876 0.01 . 1 . . . A 32 CYS H . 17823 1 216 . 1 1 32 32 CYS HA H 1 4.880 0.01 . 1 . . . A 32 CYS HA . 17823 1 217 . 1 1 32 32 CYS HB2 H 1 2.266 0.01 . 2 . . . A 32 CYS HB2 . 17823 1 218 . 1 1 32 32 CYS HB3 H 1 2.828 0.01 . 2 . . . A 32 CYS HB3 . 17823 1 219 . 1 1 33 33 CYS H H 1 8.657 0.01 . 1 . . . A 33 CYS H . 17823 1 220 . 1 1 33 33 CYS HA H 1 4.890 0.01 . 1 . . . A 33 CYS HA . 17823 1 221 . 1 1 33 33 CYS HB2 H 1 1.461 0.01 . 2 . . . A 33 CYS HB2 . 17823 1 222 . 1 1 33 33 CYS HB3 H 1 2.361 0.01 . 2 . . . A 33 CYS HB3 . 17823 1 223 . 1 1 34 34 LEU H H 1 8.783 0.01 . 1 . . . A 34 LEU H . 17823 1 224 . 1 1 34 34 LEU HA H 1 4.703 0.01 . 1 . . . A 34 LEU HA . 17823 1 225 . 1 1 34 34 LEU HB2 H 1 1.005 0.01 . 2 . . . A 34 LEU HB2 . 17823 1 226 . 1 1 34 34 LEU HB3 H 1 1.295 0.01 . 2 . . . A 34 LEU HB3 . 17823 1 227 . 1 1 34 34 LEU HG H 1 1.227 0.01 . 1 . . . A 34 LEU HG . 17823 1 228 . 1 1 34 34 LEU HD11 H 1 -0.027 0.01 . 2 . . . A 34 LEU HD11 . 17823 1 229 . 1 1 34 34 LEU HD12 H 1 -0.027 0.01 . 2 . . . A 34 LEU HD12 . 17823 1 230 . 1 1 34 34 LEU HD13 H 1 -0.027 0.01 . 2 . . . A 34 LEU HD13 . 17823 1 231 . 1 1 34 34 LEU HD21 H 1 -0.272 0.01 . 2 . . . A 34 LEU HD21 . 17823 1 232 . 1 1 34 34 LEU HD22 H 1 -0.272 0.01 . 2 . . . A 34 LEU HD22 . 17823 1 233 . 1 1 34 34 LEU HD23 H 1 -0.272 0.01 . 2 . . . A 34 LEU HD23 . 17823 1 234 . 1 1 35 35 PRO HA H 1 4.621 0.01 . 1 . . . A 35 PRO HA . 17823 1 235 . 1 1 35 35 PRO HB2 H 1 2.086 0.01 . 2 . . . A 35 PRO HB2 . 17823 1 236 . 1 1 35 35 PRO HB3 H 1 2.510 0.01 . 2 . . . A 35 PRO HB3 . 17823 1 237 . 1 1 35 35 PRO HG2 H 1 2.161 0.01 . 2 . . . A 35 PRO HG2 . 17823 1 238 . 1 1 35 35 PRO HG3 H 1 2.161 0.01 . 2 . . . A 35 PRO HG3 . 17823 1 239 . 1 1 35 35 PRO HD2 H 1 3.294 0.01 . 2 . . . A 35 PRO HD2 . 17823 1 240 . 1 1 35 35 PRO HD3 H 1 3.788 0.01 . 2 . . . A 35 PRO HD3 . 17823 1 241 . 1 1 36 36 ALA H H 1 8.623 0.01 . 1 . . . A 36 ALA H . 17823 1 242 . 1 1 36 36 ALA HA H 1 4.172 0.01 . 1 . . . A 36 ALA HA . 17823 1 243 . 1 1 36 36 ALA HB1 H 1 1.529 0.01 . 1 . . . A 36 ALA HB1 . 17823 1 244 . 1 1 36 36 ALA HB2 H 1 1.529 0.01 . 1 . . . A 36 ALA HB2 . 17823 1 245 . 1 1 36 36 ALA HB3 H 1 1.529 0.01 . 1 . . . A 36 ALA HB3 . 17823 1 246 . 1 1 37 37 SER H H 1 7.771 0.01 . 1 . . . A 37 SER H . 17823 1 247 . 1 1 37 37 SER HA H 1 4.281 0.01 . 1 . . . A 37 SER HA . 17823 1 248 . 1 1 37 37 SER HB2 H 1 3.847 0.01 . 2 . . . A 37 SER HB2 . 17823 1 249 . 1 1 37 37 SER HB3 H 1 4.110 0.01 . 2 . . . A 37 SER HB3 . 17823 1 250 . 1 1 38 38 TRP H H 1 8.073 0.01 . 1 . . . A 38 TRP H . 17823 1 251 . 1 1 38 38 TRP HA H 1 4.217 0.01 . 1 . . . A 38 TRP HA . 17823 1 252 . 1 1 38 38 TRP HB2 H 1 3.183 0.01 . 2 . . . A 38 TRP HB2 . 17823 1 253 . 1 1 38 38 TRP HB3 H 1 3.256 0.01 . 2 . . . A 38 TRP HB3 . 17823 1 254 . 1 1 38 38 TRP HD1 H 1 6.874 0.01 . 1 . . . A 38 TRP HD1 . 17823 1 255 . 1 1 38 38 TRP HE1 H 1 9.614 0.01 . 1 . . . A 38 TRP HE1 . 17823 1 256 . 1 1 38 38 TRP HE3 H 1 7.376 0.01 . 1 . . . A 38 TRP HE3 . 17823 1 257 . 1 1 38 38 TRP HZ2 H 1 7.346 0.01 . 1 . . . A 38 TRP HZ2 . 17823 1 258 . 1 1 38 38 TRP HZ3 H 1 6.916 0.01 . 1 . . . A 38 TRP HZ3 . 17823 1 259 . 1 1 38 38 TRP HH2 H 1 7.072 0.01 . 1 . . . A 38 TRP HH2 . 17823 1 260 . 1 1 39 39 LYS H H 1 7.190 0.01 . 1 . . . A 39 LYS H . 17823 1 261 . 1 1 39 39 LYS HA H 1 4.059 0.01 . 1 . . . A 39 LYS HA . 17823 1 262 . 1 1 39 39 LYS HB2 H 1 1.365 0.01 . 2 . . . A 39 LYS HB2 . 17823 1 263 . 1 1 39 39 LYS HB3 H 1 1.365 0.01 . 2 . . . A 39 LYS HB3 . 17823 1 264 . 1 1 39 39 LYS HG2 H 1 1.164 0.01 . 2 . . . A 39 LYS HG2 . 17823 1 265 . 1 1 39 39 LYS HG3 H 1 1.164 0.01 . 2 . . . A 39 LYS HG3 . 17823 1 266 . 1 1 39 39 LYS HD2 H 1 1.519 0.01 . 2 . . . A 39 LYS HD2 . 17823 1 267 . 1 1 39 39 LYS HD3 H 1 1.519 0.01 . 2 . . . A 39 LYS HD3 . 17823 1 268 . 1 1 39 39 LYS HE2 H 1 2.878 0.01 . 2 . . . A 39 LYS HE2 . 17823 1 269 . 1 1 39 39 LYS HE3 H 1 2.878 0.01 . 2 . . . A 39 LYS HE3 . 17823 1 270 . 1 1 40 40 TRP H H 1 7.669 0.01 . 1 . . . A 40 TRP H . 17823 1 271 . 1 1 40 40 TRP HA H 1 4.202 0.01 . 1 . . . A 40 TRP HA . 17823 1 272 . 1 1 40 40 TRP HB2 H 1 3.170 0.01 . 2 . . . A 40 TRP HB2 . 17823 1 273 . 1 1 40 40 TRP HB3 H 1 3.170 0.01 . 2 . . . A 40 TRP HB3 . 17823 1 274 . 1 1 40 40 TRP HD1 H 1 7.244 0.01 . 1 . . . A 40 TRP HD1 . 17823 1 275 . 1 1 40 40 TRP HE1 H 1 10.216 0.01 . 1 . . . A 40 TRP HE1 . 17823 1 276 . 1 1 40 40 TRP HE3 H 1 7.717 0.01 . 1 . . . A 40 TRP HE3 . 17823 1 277 . 1 1 40 40 TRP HZ2 H 1 7.523 0.01 . 1 . . . A 40 TRP HZ2 . 17823 1 278 . 1 1 40 40 TRP HZ3 H 1 7.197 0.01 . 1 . . . A 40 TRP HZ3 . 17823 1 279 . 1 1 40 40 TRP HH2 H 1 7.175 0.01 . 1 . . . A 40 TRP HH2 . 17823 1 280 . 1 1 41 41 LYS H H 1 7.297 0.01 . 1 . . . A 41 LYS H . 17823 1 281 . 1 1 41 41 LYS HA H 1 4.020 0.01 . 1 . . . A 41 LYS HA . 17823 1 282 . 1 1 41 41 LYS HB2 H 1 1.634 0.01 . 2 . . . A 41 LYS HB2 . 17823 1 283 . 1 1 41 41 LYS HB3 H 1 1.634 0.01 . 2 . . . A 41 LYS HB3 . 17823 1 284 . 1 1 41 41 LYS HG2 H 1 1.133 0.01 . 2 . . . A 41 LYS HG2 . 17823 1 285 . 1 1 41 41 LYS HG3 H 1 1.133 0.01 . 2 . . . A 41 LYS HG3 . 17823 1 286 . 1 1 41 41 LYS HD2 H 1 1.543 0.01 . 2 . . . A 41 LYS HD2 . 17823 1 287 . 1 1 41 41 LYS HD3 H 1 1.543 0.01 . 2 . . . A 41 LYS HD3 . 17823 1 288 . 1 1 41 41 LYS HE2 H 1 2.862 0.01 . 2 . . . A 41 LYS HE2 . 17823 1 289 . 1 1 41 41 LYS HE3 H 1 2.862 0.01 . 2 . . . A 41 LYS HE3 . 17823 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 23 17823 1 1 24 17823 1 2 45 17823 1 2 46 17823 1 2 47 17823 1 2 48 17823 1 3 211 17823 1 3 212 17823 1 3 213 17823 1 3 214 17823 1 stop_ save_