################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5066 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5066 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 32 32 LYS H H 1 8.45 0.01 . 1 . . . . . . . . 5066 1 2 . 1 1 32 32 LYS HA H 1 4.39 0.01 . 1 . . . . . . . . 5066 1 3 . 1 1 32 32 LYS HB2 H 1 1.78 0.01 . 2 . . . . . . . . 5066 1 4 . 1 1 32 32 LYS HB3 H 1 1.87 0.01 . 2 . . . . . . . . 5066 1 5 . 1 1 32 32 LYS HG2 H 1 1.46 0.01 . 2 . . . . . . . . 5066 1 6 . 1 1 32 32 LYS HD2 H 1 1.67 0.01 . 2 . . . . . . . . 5066 1 7 . 1 1 32 32 LYS HD3 H 1 1.73 0.01 . 2 . . . . . . . . 5066 1 8 . 1 1 33 33 SER H H 1 8.74 0.01 . 1 . . . . . . . . 5066 1 9 . 1 1 33 33 SER HA H 1 4.58 0.01 . 1 . . . . . . . . 5066 1 10 . 1 1 33 33 SER HB2 H 1 3.87 0.01 . 2 . . . . . . . . 5066 1 11 . 1 1 33 33 SER HB3 H 1 4.00 0.01 . 2 . . . . . . . . 5066 1 12 . 1 1 33 33 SER N N 15 115.77 0.01 . 1 . . . . . . . . 5066 1 13 . 1 1 34 34 CYS H H 1 8.29 0.01 . 1 . . . . . . . . 5066 1 14 . 1 1 34 34 CYS HA H 1 4.49 0.01 . 1 . . . . . . . . 5066 1 15 . 1 1 34 34 CYS HB2 H 1 3.10 0.01 . 2 . . . . . . . . 5066 1 16 . 1 1 34 34 CYS HB3 H 1 3.23 0.01 . 2 . . . . . . . . 5066 1 17 . 1 1 34 34 CYS N N 15 124.48 0.01 . 1 . . . . . . . . 5066 1 18 . 1 1 35 35 CYS H H 1 8.39 0.01 . 1 . . . . . . . . 5066 1 19 . 1 1 35 35 CYS HA H 1 5.06 0.01 . 1 . . . . . . . . 5066 1 20 . 1 1 35 35 CYS HB2 H 1 3.43 0.01 . 2 . . . . . . . . 5066 1 21 . 1 1 35 35 CYS HB3 H 1 3.57 0.01 . 2 . . . . . . . . 5066 1 22 . 1 1 35 35 CYS N N 15 119.19 0.01 . 1 . . . . . . . . 5066 1 23 . 1 1 36 36 SER H H 1 8.95 0.01 . 1 . . . . . . . . 5066 1 24 . 1 1 36 36 SER HA H 1 4.37 0.01 . 1 . . . . . . . . 5066 1 25 . 1 1 36 36 SER HB2 H 1 3.83 0.01 . 2 . . . . . . . . 5066 1 26 . 1 1 36 36 SER HB3 H 1 3.93 0.01 . 2 . . . . . . . . 5066 1 27 . 1 1 36 36 SER N N 15 113.71 0.01 . 1 . . . . . . . . 5066 1 28 . 1 1 37 37 CYS H H 1 8.46 0.01 . 1 . . . . . . . . 5066 1 29 . 1 1 37 37 CYS HA H 1 4.44 0.01 . 1 . . . . . . . . 5066 1 30 . 1 1 37 37 CYS HB2 H 1 2.77 0.01 . 2 . . . . . . . . 5066 1 31 . 1 1 37 37 CYS HB3 H 1 3.15 0.01 . 2 . . . . . . . . 5066 1 32 . 1 1 37 37 CYS N N 15 118.07 0.01 . 1 . . . . . . . . 5066 1 33 . 1 1 38 38 CYS H H 1 7.21 0.01 . 1 . . . . . . . . 5066 1 34 . 1 1 38 38 CYS HA H 1 5.12 0.01 . 1 . . . . . . . . 5066 1 35 . 1 1 38 38 CYS HB2 H 1 2.99 0.01 . 2 . . . . . . . . 5066 1 36 . 1 1 38 38 CYS HB3 H 1 3.03 0.01 . 2 . . . . . . . . 5066 1 37 . 1 1 38 38 CYS N N 15 118.56 0.01 . 1 . . . . . . . . 5066 1 38 . 1 1 39 39 PRO HA H 1 4.64 0.01 . 1 . . . . . . . . 5066 1 39 . 1 1 39 39 PRO HB2 H 1 2.27 0.01 . 2 . . . . . . . . 5066 1 40 . 1 1 39 39 PRO HB3 H 1 2.03 0.01 . 4 . . . . . . . . 5066 1 41 . 1 1 39 39 PRO HG2 H 1 2.03 0.01 . 4 . . . . . . . . 5066 1 42 . 1 1 39 39 PRO HG3 H 1 1.90 0.01 . 2 . . . . . . . . 5066 1 43 . 1 1 39 39 PRO HD2 H 1 3.77 0.01 . 2 . . . . . . . . 5066 1 44 . 1 1 39 39 PRO HD3 H 1 3.81 0.01 . 2 . . . . . . . . 5066 1 45 . 1 1 40 40 ALA H H 1 8.82 0.01 . 1 . . . . . . . . 5066 1 46 . 1 1 40 40 ALA HA H 1 4.17 0.01 . 1 . . . . . . . . 5066 1 47 . 1 1 40 40 ALA HB1 H 1 1.31 0.01 . 1 . . . . . . . . 5066 1 48 . 1 1 40 40 ALA HB2 H 1 1.31 0.01 . 1 . . . . . . . . 5066 1 49 . 1 1 40 40 ALA HB3 H 1 1.31 0.01 . 1 . . . . . . . . 5066 1 50 . 1 1 40 40 ALA N N 15 123.49 0.01 . 1 . . . . . . . . 5066 1 51 . 1 1 41 41 GLY H H 1 8.75 0.01 . 1 . . . . . . . . 5066 1 52 . 1 1 41 41 GLY HA2 H 1 3.74 0.01 . 2 . . . . . . . . 5066 1 53 . 1 1 41 41 GLY HA3 H 1 3.98 0.01 . 2 . . . . . . . . 5066 1 54 . 1 1 41 41 GLY N N 15 110.22 0.01 . 1 . . . . . . . . 5066 1 55 . 1 1 42 42 CYS H H 1 7.12 0.01 . 1 . . . . . . . . 5066 1 56 . 1 1 42 42 CYS HA H 1 4.07 0.01 . 1 . . . . . . . . 5066 1 57 . 1 1 42 42 CYS HB2 H 1 3.11 0.01 . 2 . . . . . . . . 5066 1 58 . 1 1 42 42 CYS HB3 H 1 3.17 0.01 . 2 . . . . . . . . 5066 1 59 . 1 1 42 42 CYS N N 15 121.68 0.01 . 1 . . . . . . . . 5066 1 60 . 1 1 43 43 GLU H H 1 9.45 0.01 . 1 . . . . . . . . 5066 1 61 . 1 1 43 43 GLU HA H 1 4.05 0.01 . 1 . . . . . . . . 5066 1 62 . 1 1 43 43 GLU HB2 H 1 2.11 0.01 . 1 . . . . . . . . 5066 1 63 . 1 1 43 43 GLU HB3 H 1 2.11 0.01 . 1 . . . . . . . . 5066 1 64 . 1 1 43 43 GLU HG2 H 1 2.34 0.01 . 2 . . . . . . . . 5066 1 65 . 1 1 43 43 GLU HG3 H 1 2.43 0.01 . 2 . . . . . . . . 5066 1 66 . 1 1 43 43 GLU N N 15 132.64 0.01 . 1 . . . . . . . . 5066 1 67 . 1 1 44 44 LYS H H 1 8.39 0.01 . 1 . . . . . . . . 5066 1 68 . 1 1 44 44 LYS HA H 1 4.21 0.01 . 1 . . . . . . . . 5066 1 69 . 1 1 44 44 LYS HB2 H 1 2.02 0.01 . 1 . . . . . . . . 5066 1 70 . 1 1 44 44 LYS HB3 H 1 2.02 0.01 . 1 . . . . . . . . 5066 1 71 . 1 1 44 44 LYS HG2 H 1 1.55 0.01 . 2 . . . . . . . . 5066 1 72 . 1 1 44 44 LYS HG3 H 1 1.64 0.01 . 2 . . . . . . . . 5066 1 73 . 1 1 44 44 LYS HD2 H 1 1.77 0.01 . 2 . . . . . . . . 5066 1 74 . 1 1 44 44 LYS HD3 H 1 1.84 0.01 . 2 . . . . . . . . 5066 1 75 . 1 1 44 44 LYS HE2 H 1 3.02 0.01 . 1 . . . . . . . . 5066 1 76 . 1 1 44 44 LYS HE3 H 1 3.02 0.01 . 1 . . . . . . . . 5066 1 77 . 1 1 44 44 LYS N N 15 122.00 0.01 . 1 . . . . . . . . 5066 1 78 . 1 1 45 45 CYS H H 1 7.54 0.01 . 1 . . . . . . . . 5066 1 79 . 1 1 45 45 CYS HA H 1 4.88 0.01 . 1 . . . . . . . . 5066 1 80 . 1 1 45 45 CYS HB2 H 1 2.63 0.01 . 2 . . . . . . . . 5066 1 81 . 1 1 45 45 CYS HB3 H 1 3.71 0.01 . 2 . . . . . . . . 5066 1 82 . 1 1 45 45 CYS N N 15 118.13 0.01 . 1 . . . . . . . . 5066 1 83 . 1 1 46 46 ALA H H 1 7.06 0.01 . 1 . . . . . . . . 5066 1 84 . 1 1 46 46 ALA HA H 1 4.04 0.01 . 1 . . . . . . . . 5066 1 85 . 1 1 46 46 ALA HB1 H 1 1.45 0.01 . 1 . . . . . . . . 5066 1 86 . 1 1 46 46 ALA HB2 H 1 1.45 0.01 . 1 . . . . . . . . 5066 1 87 . 1 1 46 46 ALA HB3 H 1 1.45 0.01 . 1 . . . . . . . . 5066 1 88 . 1 1 46 46 ALA N N 15 120.85 0.01 . 1 . . . . . . . . 5066 1 89 . 1 1 47 47 LYS H H 1 8.31 0.01 . 1 . . . . . . . . 5066 1 90 . 1 1 47 47 LYS HA H 1 4.27 0.01 . 1 . . . . . . . . 5066 1 91 . 1 1 47 47 LYS HB2 H 1 1.75 0.01 . 2 . . . . . . . . 5066 1 92 . 1 1 47 47 LYS HB3 H 1 1.85 0.01 . 2 . . . . . . . . 5066 1 93 . 1 1 47 47 LYS HG2 H 1 1.38 0.01 . 2 . . . . . . . . 5066 1 94 . 1 1 47 47 LYS HG3 H 1 1.46 0.01 . 2 . . . . . . . . 5066 1 95 . 1 1 47 47 LYS HD2 H 1 1.68 0.01 . 1 . . . . . . . . 5066 1 96 . 1 1 47 47 LYS HD3 H 1 1.68 0.01 . 1 . . . . . . . . 5066 1 97 . 1 1 47 47 LYS HE2 H 1 2.99 0.01 . 1 . . . . . . . . 5066 1 98 . 1 1 47 47 LYS HE3 H 1 2.99 0.01 . 1 . . . . . . . . 5066 1 99 . 1 1 47 47 LYS N N 15 117.15 0.01 . 1 . . . . . . . . 5066 1 100 . 1 1 48 48 ASP H H 1 7.61 0.01 . 1 . . . . . . . . 5066 1 101 . 1 1 48 48 ASP HA H 1 4.63 0.01 . 1 . . . . . . . . 5066 1 102 . 1 1 48 48 ASP HB2 H 1 2.47 0.01 . 2 . . . . . . . . 5066 1 103 . 1 1 48 48 ASP HB3 H 1 2.54 0.01 . 2 . . . . . . . . 5066 1 104 . 1 1 48 48 ASP N N 15 117.00 0.01 . 1 . . . . . . . . 5066 1 105 . 1 1 49 49 CYS H H 1 8.46 0.01 . 1 . . . . . . . . 5066 1 106 . 1 1 49 49 CYS HA H 1 4.45 0.01 . 1 . . . . . . . . 5066 1 107 . 1 1 49 49 CYS HB2 H 1 2.85 0.01 . 2 . . . . . . . . 5066 1 108 . 1 1 49 49 CYS HB3 H 1 2.94 0.01 . 2 . . . . . . . . 5066 1 109 . 1 1 49 49 CYS N N 15 122.40 0.01 . 1 . . . . . . . . 5066 1 110 . 1 1 50 50 VAL H H 1 7.58 0.01 . 1 . . . . . . . . 5066 1 111 . 1 1 50 50 VAL HA H 1 4.54 0.01 . 1 . . . . . . . . 5066 1 112 . 1 1 50 50 VAL HB H 1 2.51 0.01 . 1 . . . . . . . . 5066 1 113 . 1 1 50 50 VAL HG11 H 1 0.89 0.01 . 2 . . . . . . . . 5066 1 114 . 1 1 50 50 VAL HG12 H 1 0.89 0.01 . 2 . . . . . . . . 5066 1 115 . 1 1 50 50 VAL HG13 H 1 0.89 0.01 . 2 . . . . . . . . 5066 1 116 . 1 1 50 50 VAL HG21 H 1 1.06 0.01 . 2 . . . . . . . . 5066 1 117 . 1 1 50 50 VAL HG22 H 1 1.06 0.01 . 2 . . . . . . . . 5066 1 118 . 1 1 50 50 VAL HG23 H 1 1.06 0.01 . 2 . . . . . . . . 5066 1 119 . 1 1 50 50 VAL N N 15 125.37 0.01 . 1 . . . . . . . . 5066 1 120 . 1 1 51 51 CYS H H 1 8.96 0.01 . 1 . . . . . . . . 5066 1 121 . 1 1 51 51 CYS HA H 1 4.54 0.01 . 1 . . . . . . . . 5066 1 122 . 1 1 51 51 CYS HB2 H 1 2.54 0.01 . 2 . . . . . . . . 5066 1 123 . 1 1 51 51 CYS HB3 H 1 3.14 0.01 . 2 . . . . . . . . 5066 1 124 . 1 1 51 51 CYS N N 15 125.28 0.01 . 1 . . . . . . . . 5066 1 125 . 1 1 52 52 LYS H H 1 7.98 0.01 . 1 . . . . . . . . 5066 1 126 . 1 1 52 52 LYS HA H 1 4.25 0.01 . 1 . . . . . . . . 5066 1 127 . 1 1 52 52 LYS HB2 H 1 1.81 0.01 . 2 . . . . . . . . 5066 1 128 . 1 1 52 52 LYS HB3 H 1 1.87 0.01 . 2 . . . . . . . . 5066 1 129 . 1 1 52 52 LYS HG2 H 1 1.43 0.01 . 2 . . . . . . . . 5066 1 130 . 1 1 52 52 LYS HG3 H 1 1.51 0.01 . 2 . . . . . . . . 5066 1 131 . 1 1 52 52 LYS HD2 H 1 1.69 0.01 . 1 . . . . . . . . 5066 1 132 . 1 1 52 52 LYS HD3 H 1 1.69 0.01 . 1 . . . . . . . . 5066 1 133 . 1 1 52 52 LYS HE2 H 1 3.05 0.01 . 1 . . . . . . . . 5066 1 134 . 1 1 52 52 LYS HE3 H 1 3.05 0.01 . 1 . . . . . . . . 5066 1 135 . 1 1 52 52 LYS N N 15 120.05 0.01 . 1 . . . . . . . . 5066 1 136 . 1 1 53 53 GLY H H 1 8.51 0.01 . 1 . . . . . . . . 5066 1 137 . 1 1 53 53 GLY HA2 H 1 3.89 0.01 . 2 . . . . . . . . 5066 1 138 . 1 1 53 53 GLY HA3 H 1 4.10 0.01 . 2 . . . . . . . . 5066 1 139 . 1 1 53 53 GLY N N 15 109.39 0.01 . 1 . . . . . . . . 5066 1 140 . 1 1 54 54 GLU H H 1 8.38 0.01 . 1 . . . . . . . . 5066 1 141 . 1 1 54 54 GLU HA H 1 4.28 0.01 . 1 . . . . . . . . 5066 1 142 . 1 1 54 54 GLU HB2 H 1 1.97 0.01 . 2 . . . . . . . . 5066 1 143 . 1 1 54 54 GLU HB3 H 1 2.10 0.01 . 2 . . . . . . . . 5066 1 144 . 1 1 54 54 GLU HG2 H 1 2.27 0.01 . 2 . . . . . . . . 5066 1 145 . 1 1 54 54 GLU HG3 H 1 2.36 0.01 . 2 . . . . . . . . 5066 1 146 . 1 1 54 54 GLU N N 15 120.97 0.01 . 1 . . . . . . . . 5066 1 147 . 1 1 55 55 GLU H H 1 8.73 0.01 . 1 . . . . . . . . 5066 1 148 . 1 1 55 55 GLU HA H 1 4.21 0.01 . 1 . . . . . . . . 5066 1 149 . 1 1 55 55 GLU HB2 H 1 2.00 0.01 . 2 . . . . . . . . 5066 1 150 . 1 1 55 55 GLU HB3 H 1 2.09 0.01 . 2 . . . . . . . . 5066 1 151 . 1 1 55 55 GLU HG2 H 1 2.27 0.01 . 2 . . . . . . . . 5066 1 152 . 1 1 55 55 GLU HG3 H 1 2.31 0.01 . 2 . . . . . . . . 5066 1 153 . 1 1 55 55 GLU N N 15 121.93 0.01 . 1 . . . . . . . . 5066 1 154 . 1 1 56 56 GLY H H 1 8.50 0.01 . 1 . . . . . . . . 5066 1 155 . 1 1 56 56 GLY HA2 H 1 3.88 0.01 . 2 . . . . . . . . 5066 1 156 . 1 1 56 56 GLY HA3 H 1 4.00 0.01 . 2 . . . . . . . . 5066 1 157 . 1 1 56 56 GLY N N 15 110.06 0.01 . 1 . . . . . . . . 5066 1 158 . 1 1 57 57 ALA H H 1 8.02 0.01 . 1 . . . . . . . . 5066 1 159 . 1 1 57 57 ALA HA H 1 4.32 0.01 . 1 . . . . . . . . 5066 1 160 . 1 1 57 57 ALA HB1 H 1 1.40 0.01 . 1 . . . . . . . . 5066 1 161 . 1 1 57 57 ALA HB2 H 1 1.40 0.01 . 1 . . . . . . . . 5066 1 162 . 1 1 57 57 ALA HB3 H 1 1.40 0.01 . 1 . . . . . . . . 5066 1 163 . 1 1 57 57 ALA N N 15 123.64 0.01 . 1 . . . . . . . . 5066 1 164 . 1 1 58 58 LYS H H 1 8.35 0.01 . 1 . . . . . . . . 5066 1 165 . 1 1 58 58 LYS HA H 1 4.31 0.01 . 1 . . . . . . . . 5066 1 166 . 1 1 58 58 LYS HB2 H 1 1.77 0.01 . 2 . . . . . . . . 5066 1 167 . 1 1 58 58 LYS HB3 H 1 1.86 0.01 . 2 . . . . . . . . 5066 1 168 . 1 1 58 58 LYS HG2 H 1 1.42 0.01 . 2 . . . . . . . . 5066 1 169 . 1 1 58 58 LYS HG3 H 1 1.48 0.01 . 2 . . . . . . . . 5066 1 170 . 1 1 58 58 LYS HD2 H 1 1.67 0.01 . 1 . . . . . . . . 5066 1 171 . 1 1 58 58 LYS HD3 H 1 1.67 0.01 . 1 . . . . . . . . 5066 1 172 . 1 1 58 58 LYS HE2 H 1 2.99 0.01 . 1 . . . . . . . . 5066 1 173 . 1 1 58 58 LYS HE3 H 1 2.99 0.01 . 1 . . . . . . . . 5066 1 174 . 1 1 58 58 LYS N N 15 120.50 0.01 . 1 . . . . . . . . 5066 1 175 . 1 1 59 59 ALA H H 1 8.45 0.01 . 1 . . . . . . . . 5066 1 176 . 1 1 59 59 ALA HA H 1 4.31 0.01 . 1 . . . . . . . . 5066 1 177 . 1 1 59 59 ALA HB1 H 1 1.39 0.01 . 1 . . . . . . . . 5066 1 178 . 1 1 59 59 ALA HB2 H 1 1.39 0.01 . 1 . . . . . . . . 5066 1 179 . 1 1 59 59 ALA HB3 H 1 1.39 0.01 . 1 . . . . . . . . 5066 1 180 . 1 1 59 59 ALA N N 15 125.38 0.01 . 1 . . . . . . . . 5066 1 181 . 1 1 60 60 GLU H H 1 8.49 0.01 . 1 . . . . . . . . 5066 1 182 . 1 1 60 60 GLU HA H 1 4.28 0.01 . 1 . . . . . . . . 5066 1 183 . 1 1 60 60 GLU HB2 H 1 1.95 0.01 . 2 . . . . . . . . 5066 1 184 . 1 1 60 60 GLU HB3 H 1 2.09 0.01 . 2 . . . . . . . . 5066 1 185 . 1 1 60 60 GLU HG2 H 1 2.23 0.01 . 1 . . . . . . . . 5066 1 186 . 1 1 60 60 GLU HG3 H 1 2.23 0.01 . 1 . . . . . . . . 5066 1 187 . 1 1 60 60 GLU N N 15 119.54 0.01 . 1 . . . . . . . . 5066 1 188 . 1 1 61 61 ALA H H 1 8.14 0.01 . 1 . . . . . . . . 5066 1 189 . 1 1 61 61 ALA HA H 1 4.27 0.01 . 1 . . . . . . . . 5066 1 190 . 1 1 61 61 ALA HB1 H 1 1.44 0.01 . 1 . . . . . . . . 5066 1 191 . 1 1 61 61 ALA HB2 H 1 1.44 0.01 . 1 . . . . . . . . 5066 1 192 . 1 1 61 61 ALA HB3 H 1 1.44 0.01 . 1 . . . . . . . . 5066 1 193 . 1 1 61 61 ALA N N 15 123.82 0.01 . 1 . . . . . . . . 5066 1 194 . 1 1 62 62 GLU H H 1 8.45 0.01 . 1 . . . . . . . . 5066 1 195 . 1 1 62 62 GLU HA H 1 4.18 0.01 . 1 . . . . . . . . 5066 1 196 . 1 1 62 62 GLU HB2 H 1 1.96 0.01 . 2 . . . . . . . . 5066 1 197 . 1 1 62 62 GLU HB3 H 1 2.08 0.01 . 2 . . . . . . . . 5066 1 198 . 1 1 62 62 GLU HG2 H 1 2.25 0.01 . 2 . . . . . . . . 5066 1 199 . 1 1 62 62 GLU HG3 H 1 2.30 0.01 . 2 . . . . . . . . 5066 1 200 . 1 1 62 62 GLU N N 15 118.69 0.01 . 1 . . . . . . . . 5066 1 201 . 1 1 63 63 LYS H H 1 7.78 0.01 . 1 . . . . . . . . 5066 1 202 . 1 1 63 63 LYS HA H 1 4.78 0.01 . 1 . . . . . . . . 5066 1 203 . 1 1 63 63 LYS HB2 H 1 1.87 0.01 . 1 . . . . . . . . 5066 1 204 . 1 1 63 63 LYS HB3 H 1 1.87 0.01 . 1 . . . . . . . . 5066 1 205 . 1 1 63 63 LYS HG2 H 1 1.43 0.01 . 1 . . . . . . . . 5066 1 206 . 1 1 63 63 LYS HG3 H 1 1.43 0.01 . 1 . . . . . . . . 5066 1 207 . 1 1 63 63 LYS HD2 H 1 1.72 0.01 . 1 . . . . . . . . 5066 1 208 . 1 1 63 63 LYS HD3 H 1 1.72 0.01 . 1 . . . . . . . . 5066 1 209 . 1 1 63 63 LYS HE2 H 1 3.00 0.01 . 1 . . . . . . . . 5066 1 210 . 1 1 63 63 LYS HE3 H 1 3.00 0.01 . 1 . . . . . . . . 5066 1 211 . 1 1 63 63 LYS N N 15 118.13 0.01 . 1 . . . . . . . . 5066 1 212 . 1 1 64 64 CYS H H 1 8.17 0.01 . 1 . . . . . . . . 5066 1 213 . 1 1 64 64 CYS HA H 1 5.06 0.01 . 1 . . . . . . . . 5066 1 214 . 1 1 64 64 CYS HB2 H 1 3.51 0.01 . 2 . . . . . . . . 5066 1 215 . 1 1 64 64 CYS HB3 H 1 3.63 0.01 . 2 . . . . . . . . 5066 1 216 . 1 1 64 64 CYS N N 15 120.62 0.01 . 1 . . . . . . . . 5066 1 217 . 1 1 65 65 SER H H 1 9.19 0.01 . 1 . . . . . . . . 5066 1 218 . 1 1 65 65 SER HA H 1 4.52 0.01 . 1 . . . . . . . . 5066 1 219 . 1 1 65 65 SER HB2 H 1 3.89 0.01 . 2 . . . . . . . . 5066 1 220 . 1 1 65 65 SER HB3 H 1 3.96 0.01 . 2 . . . . . . . . 5066 1 221 . 1 1 65 65 SER N N 15 114.11 0.01 . 1 . . . . . . . . 5066 1 222 . 1 1 66 66 CYS H H 1 8.43 0.01 . 1 . . . . . . . . 5066 1 223 . 1 1 66 66 CYS HA H 1 4.61 0.01 . 1 . . . . . . . . 5066 1 224 . 1 1 66 66 CYS HB2 H 1 3.13 0.01 . 2 . . . . . . . . 5066 1 225 . 1 1 66 66 CYS HB3 H 1 3.21 0.01 . 2 . . . . . . . . 5066 1 226 . 1 1 66 66 CYS N N 15 119.04 0.01 . 1 . . . . . . . . 5066 1 227 . 1 1 67 67 CYS H H 1 7.55 0.01 . 1 . . . . . . . . 5066 1 228 . 1 1 67 67 CYS HA H 1 4.76 0.01 . 1 . . . . . . . . 5066 1 229 . 1 1 67 67 CYS HB2 H 1 2.71 0.01 . 2 . . . . . . . . 5066 1 230 . 1 1 67 67 CYS HB3 H 1 3.09 0.01 . 2 . . . . . . . . 5066 1 231 . 1 1 67 67 CYS N N 15 120.67 0.01 . 1 . . . . . . . . 5066 1 232 . 1 1 68 68 GLN H H 1 7.45 0.01 . 1 . . . . . . . . 5066 1 233 . 1 1 68 68 GLN HA H 1 4.14 0.01 . 1 . . . . . . . . 5066 1 234 . 1 1 68 68 GLN HB2 H 1 1.96 0.01 . 2 . . . . . . . . 5066 1 235 . 1 1 68 68 GLN HB3 H 1 2.16 0.01 . 2 . . . . . . . . 5066 1 236 . 1 1 68 68 GLN HG2 H 1 2.36 0.01 . 1 . . . . . . . . 5066 1 237 . 1 1 68 68 GLN HG3 H 1 2.36 0.01 . 1 . . . . . . . . 5066 1 238 . 1 1 68 68 GLN HE21 H 1 6.96 0.01 . 2 . . . . . . . . 5066 1 239 . 1 1 68 68 GLN HE22 H 1 7.72 0.01 . 2 . . . . . . . . 5066 1 240 . 1 1 68 68 GLN N N 15 124.80 0.01 . 1 . . . . . . . . 5066 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 41 5066 1 1 40 5066 1 stop_ save_