################################### # 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 4806 _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 . 4806 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 2 2 VAL H H 1 8.67 . . 1 . . . . . . . . 4806 1 2 . 1 1 2 2 VAL HA H 1 3.82 . . 1 . . . . . . . . 4806 1 3 . 1 1 2 2 VAL HB H 1 1.59 . . 1 . . . . . . . . 4806 1 4 . 1 1 2 2 VAL HG11 H 1 0.66 . . 2 . . . . . . . . 4806 1 5 . 1 1 2 2 VAL HG12 H 1 0.66 . . 2 . . . . . . . . 4806 1 6 . 1 1 2 2 VAL HG13 H 1 0.66 . . 2 . . . . . . . . 4806 1 7 . 1 1 2 2 VAL HG21 H 1 0.33 . . 2 . . . . . . . . 4806 1 8 . 1 1 2 2 VAL HG22 H 1 0.33 . . 2 . . . . . . . . 4806 1 9 . 1 1 2 2 VAL HG23 H 1 0.33 . . 2 . . . . . . . . 4806 1 10 . 1 1 2 2 VAL CA C 13 61.8 . . 1 . . . . . . . . 4806 1 11 . 1 1 2 2 VAL CB C 13 33.1 . . 1 . . . . . . . . 4806 1 12 . 1 1 2 2 VAL N N 15 112.57 . . 1 . . . . . . . . 4806 1 13 . 1 1 3 3 LYS H H 1 8.10 . . 1 . . . . . . . . 4806 1 14 . 1 1 3 3 LYS HA H 1 4.08 . . 1 . . . . . . . . 4806 1 15 . 1 1 3 3 LYS HB2 H 1 1.64 . . 1 . . . . . . . . 4806 1 16 . 1 1 3 3 LYS HB3 H 1 1.64 . . 1 . . . . . . . . 4806 1 17 . 1 1 3 3 LYS HG2 H 1 1.14 . . 2 . . . . . . . . 4806 1 18 . 1 1 3 3 LYS HG3 H 1 0.97 . . 2 . . . . . . . . 4806 1 19 . 1 1 3 3 LYS HD2 H 1 1.60 . . 1 . . . . . . . . 4806 1 20 . 1 1 3 3 LYS HD3 H 1 1.60 . . 1 . . . . . . . . 4806 1 21 . 1 1 3 3 LYS HE2 H 1 2.88 . . 2 . . . . . . . . 4806 1 22 . 1 1 3 3 LYS HE3 H 1 2.75 . . 2 . . . . . . . . 4806 1 23 . 1 1 3 3 LYS CA C 13 54.94 . . 1 . . . . . . . . 4806 1 24 . 1 1 3 3 LYS CB C 13 33.1 . . 1 . . . . . . . . 4806 1 25 . 1 1 3 3 LYS CG C 13 24.6 . . 1 . . . . . . . . 4806 1 26 . 1 1 3 3 LYS CD C 13 28.7 . . 1 . . . . . . . . 4806 1 27 . 1 1 3 3 LYS CE C 13 42.2 . . 1 . . . . . . . . 4806 1 28 . 1 1 3 3 LYS N N 15 127.11 . . 1 . . . . . . . . 4806 1 29 . 1 1 4 4 TYR H H 1 8.22 . . 1 . . . . . . . . 4806 1 30 . 1 1 4 4 TYR HA H 1 5.70 . . 1 . . . . . . . . 4806 1 31 . 1 1 4 4 TYR HB2 H 1 2.88 . . 2 . . . . . . . . 4806 1 32 . 1 1 4 4 TYR HB3 H 1 2.70 . . 2 . . . . . . . . 4806 1 33 . 1 1 4 4 TYR CA C 13 55.24 . . 1 . . . . . . . . 4806 1 34 . 1 1 4 4 TYR N N 15 122.90 . . 1 . . . . . . . . 4806 1 35 . 1 1 5 5 TYR H H 1 8.69 . . 1 . . . . . . . . 4806 1 36 . 1 1 5 5 TYR HA H 1 5.23 . . 1 . . . . . . . . 4806 1 37 . 1 1 5 5 TYR HB2 H 1 3.26 . . 2 . . . . . . . . 4806 1 38 . 1 1 5 5 TYR HB3 H 1 2.56 . . 2 . . . . . . . . 4806 1 39 . 1 1 5 5 TYR CA C 13 56.77 . . 1 . . . . . . . . 4806 1 40 . 1 1 5 5 TYR CB C 13 42.7 . . 1 . . . . . . . . 4806 1 41 . 1 1 5 5 TYR N N 15 118.39 . . 1 . . . . . . . . 4806 1 42 . 1 1 6 6 THR H H 1 9.37 . . 1 . . . . . . . . 4806 1 43 . 1 1 6 6 THR CA C 13 60.48 . . 1 . . . . . . . . 4806 1 44 . 1 1 6 6 THR N N 15 115.72 . . 1 . . . . . . . . 4806 1 45 . 1 1 7 7 LEU H H 1 9.50 . . 1 . . . . . . . . 4806 1 46 . 1 1 7 7 LEU CA C 13 58.27 . . 1 . . . . . . . . 4806 1 47 . 1 1 7 7 LEU N N 15 124.06 . . 1 . . . . . . . . 4806 1 48 . 1 1 8 8 GLU H H 1 8.42 . . 1 . . . . . . . . 4806 1 49 . 1 1 8 8 GLU CA C 13 59.25 . . 1 . . . . . . . . 4806 1 50 . 1 1 8 8 GLU N N 15 116.93 . . 1 . . . . . . . . 4806 1 51 . 1 1 9 9 GLU H H 1 7.62 . . 1 . . . . . . . . 4806 1 52 . 1 1 9 9 GLU CA C 13 58.97 . . 1 . . . . . . . . 4806 1 53 . 1 1 9 9 GLU N N 15 118.17 . . 1 . . . . . . . . 4806 1 54 . 1 1 10 10 ILE H H 1 8.40 . . 1 . . . . . . . . 4806 1 55 . 1 1 10 10 ILE CA C 13 65.50 . . 1 . . . . . . . . 4806 1 56 . 1 1 10 10 ILE N N 15 121.54 . . 1 . . . . . . . . 4806 1 57 . 1 1 11 11 GLN H H 1 8.21 . . 1 . . . . . . . . 4806 1 58 . 1 1 11 11 GLN CA C 13 57.77 . . 1 . . . . . . . . 4806 1 59 . 1 1 11 11 GLN N N 15 115.46 . . 1 . . . . . . . . 4806 1 60 . 1 1 12 12 LYS H H 1 7.07 . . 1 . . . . . . . . 4806 1 61 . 1 1 12 12 LYS CA C 13 56.65 . . 1 . . . . . . . . 4806 1 62 . 1 1 12 12 LYS N N 15 114.35 . . 1 . . . . . . . . 4806 1 63 . 1 1 13 13 HIS H H 1 7.69 . . 1 . . . . . . . . 4806 1 64 . 1 1 13 13 HIS CA C 13 53.60 . . 1 . . . . . . . . 4806 1 65 . 1 1 13 13 HIS CE1 C 13 134.56 . . 1 . . . . . . . . 4806 1 66 . 1 1 13 13 HIS N N 15 121.50 . . 1 . . . . . . . . 4806 1 67 . 1 1 14 14 ASN H H 1 7.31 . . 1 . . . . . . . . 4806 1 68 . 1 1 14 14 ASN HB2 H 1 2.92 . . 2 . . . . . . . . 4806 1 69 . 1 1 14 14 ASN HB3 H 1 2.19 . . 2 . . . . . . . . 4806 1 70 . 1 1 14 14 ASN CA C 13 51.44 . . 1 . . . . . . . . 4806 1 71 . 1 1 14 14 ASN N N 15 117.32 . . 1 . . . . . . . . 4806 1 72 . 1 1 15 15 ASN H H 1 8.39 . . 1 . . . . . . . . 4806 1 73 . 1 1 15 15 ASN HA H 1 4.55 . . 1 . . . . . . . . 4806 1 74 . 1 1 15 15 ASN HB2 H 1 2.81 . . 2 . . . . . . . . 4806 1 75 . 1 1 15 15 ASN HB3 H 1 2.67 . . 2 . . . . . . . . 4806 1 76 . 1 1 15 15 ASN CA C 13 52.72 . . 1 . . . . . . . . 4806 1 77 . 1 1 15 15 ASN CB C 13 40.8 . . 1 . . . . . . . . 4806 1 78 . 1 1 15 15 ASN N N 15 126.50 . . 1 . . . . . . . . 4806 1 79 . 1 1 16 16 SER H H 1 8.18 . . 1 . . . . . . . . 4806 1 80 . 1 1 16 16 SER CA C 13 60.84 . . 1 . . . . . . . . 4806 1 81 . 1 1 16 16 SER N N 15 113.13 . . 1 . . . . . . . . 4806 1 82 . 1 1 17 17 LYS H H 1 7.94 . . 1 . . . . . . . . 4806 1 83 . 1 1 17 17 LYS N N 15 119.85 . . 1 . . . . . . . . 4806 1 84 . 1 1 18 18 SER CA C 13 57.83 . . 1 . . . . . . . . 4806 1 85 . 1 1 19 19 THR H H 1 8.78 . . 1 . . . . . . . . 4806 1 86 . 1 1 19 19 THR CA C 13 62.42 . . 1 . . . . . . . . 4806 1 87 . 1 1 19 19 THR N N 15 123.30 . . 1 . . . . . . . . 4806 1 88 . 1 1 20 20 TRP H H 1 8.71 . . 1 . . . . . . . . 4806 1 89 . 1 1 20 20 TRP HA H 1 6.22 . . 1 . . . . . . . . 4806 1 90 . 1 1 20 20 TRP HB2 H 1 3.01 . . 2 . . . . . . . . 4806 1 91 . 1 1 20 20 TRP HB3 H 1 2.73 . . 2 . . . . . . . . 4806 1 92 . 1 1 20 20 TRP CA C 13 52.20 . . 1 . . . . . . . . 4806 1 93 . 1 1 20 20 TRP CB C 13 33.3 . . 1 . . . . . . . . 4806 1 94 . 1 1 20 20 TRP N N 15 126.42 . . 1 . . . . . . . . 4806 1 95 . 1 1 21 21 LEU H H 1 8.39 . . 1 . . . . . . . . 4806 1 96 . 1 1 21 21 LEU CA C 13 54.35 . . 1 . . . . . . . . 4806 1 97 . 1 1 21 21 LEU N N 15 115.58 . . 1 . . . . . . . . 4806 1 98 . 1 1 22 22 ILE H H 1 7.98 . . 1 . . . . . . . . 4806 1 99 . 1 1 22 22 ILE CA C 13 59.64 . . 1 . . . . . . . . 4806 1 100 . 1 1 22 22 ILE N N 15 120.50 . . 1 . . . . . . . . 4806 1 101 . 1 1 23 23 LEU H H 1 8.35 . . 1 . . . . . . . . 4806 1 102 . 1 1 23 23 LEU HD11 H 1 -0.82 . . 2 . . . . . . . . 4806 1 103 . 1 1 23 23 LEU HD12 H 1 -0.82 . . 2 . . . . . . . . 4806 1 104 . 1 1 23 23 LEU HD13 H 1 -0.82 . . 2 . . . . . . . . 4806 1 105 . 1 1 23 23 LEU HD21 H 1 -2.12 . . 2 . . . . . . . . 4806 1 106 . 1 1 23 23 LEU HD22 H 1 -2.12 . . 2 . . . . . . . . 4806 1 107 . 1 1 23 23 LEU HD23 H 1 -2.12 . . 2 . . . . . . . . 4806 1 108 . 1 1 23 23 LEU CA C 13 53.10 . . 1 . . . . . . . . 4806 1 109 . 1 1 23 23 LEU N N 15 122.38 . . 1 . . . . . . . . 4806 1 110 . 1 1 24 24 HIS H H 1 9.21 . . 1 . . . . . . . . 4806 1 111 . 1 1 24 24 HIS HE1 H 1 8.32 . . 1 . . . . . . . . 4806 1 112 . 1 1 24 24 HIS CA C 13 56.78 . . 1 . . . . . . . . 4806 1 113 . 1 1 24 24 HIS CE1 C 13 137.91 . . 1 . . . . . . . . 4806 1 114 . 1 1 24 24 HIS N N 15 124.83 . . 1 . . . . . . . . 4806 1 115 . 1 1 25 25 TYR H H 1 8.22 . . 1 . . . . . . . . 4806 1 116 . 1 1 25 25 TYR CA C 13 60.45 . . 1 . . . . . . . . 4806 1 117 . 1 1 25 25 TYR N N 15 106.95 . . 1 . . . . . . . . 4806 1 118 . 1 1 26 26 LYS H H 1 8.24 . . 1 . . . . . . . . 4806 1 119 . 1 1 26 26 LYS CA C 13 55.75 . . 1 . . . . . . . . 4806 1 120 . 1 1 26 26 LYS N N 15 121.80 . . 1 . . . . . . . . 4806 1 121 . 1 1 27 27 VAL H H 1 8.29 . . 1 . . . . . . . . 4806 1 122 . 1 1 27 27 VAL HA H 1 4.07 . . 1 . . . . . . . . 4806 1 123 . 1 1 27 27 VAL HG11 H 1 0.05 . . 1 . . . . . . . . 4806 1 124 . 1 1 27 27 VAL HG12 H 1 0.05 . . 1 . . . . . . . . 4806 1 125 . 1 1 27 27 VAL HG13 H 1 0.05 . . 1 . . . . . . . . 4806 1 126 . 1 1 27 27 VAL HG21 H 1 0.05 . . 1 . . . . . . . . 4806 1 127 . 1 1 27 27 VAL HG22 H 1 0.05 . . 1 . . . . . . . . 4806 1 128 . 1 1 27 27 VAL HG23 H 1 0.05 . . 1 . . . . . . . . 4806 1 129 . 1 1 27 27 VAL CA C 13 61.54 . . 1 . . . . . . . . 4806 1 130 . 1 1 27 27 VAL N N 15 121.08 . . 1 . . . . . . . . 4806 1 131 . 1 1 28 28 TYR H H 1 8.92 . . 1 . . . . . . . . 4806 1 132 . 1 1 28 28 TYR CA C 13 55.90 . . 1 . . . . . . . . 4806 1 133 . 1 1 28 28 TYR N N 15 126.47 . . 1 . . . . . . . . 4806 1 134 . 1 1 29 29 ASP H H 1 8.06 . . 1 . . . . . . . . 4806 1 135 . 1 1 29 29 ASP CA C 13 52.72 . . 1 . . . . . . . . 4806 1 136 . 1 1 29 29 ASP N N 15 119.31 . . 1 . . . . . . . . 4806 1 137 . 1 1 30 30 LEU H H 1 8.40 . . 1 . . . . . . . . 4806 1 138 . 1 1 30 30 LEU HA H 1 4.31 . . 1 . . . . . . . . 4806 1 139 . 1 1 30 30 LEU HB2 H 1 1.57 . . 2 . . . . . . . . 4806 1 140 . 1 1 30 30 LEU HB3 H 1 1.28 . . 2 . . . . . . . . 4806 1 141 . 1 1 30 30 LEU HG H 1 0.95 . . 1 . . . . . . . . 4806 1 142 . 1 1 30 30 LEU HD11 H 1 -0.07 . . 2 . . . . . . . . 4806 1 143 . 1 1 30 30 LEU HD12 H 1 -0.07 . . 2 . . . . . . . . 4806 1 144 . 1 1 30 30 LEU HD13 H 1 -0.07 . . 2 . . . . . . . . 4806 1 145 . 1 1 30 30 LEU HD21 H 1 -0.58 . . 2 . . . . . . . . 4806 1 146 . 1 1 30 30 LEU HD22 H 1 -0.58 . . 2 . . . . . . . . 4806 1 147 . 1 1 30 30 LEU HD23 H 1 -0.58 . . 2 . . . . . . . . 4806 1 148 . 1 1 30 30 LEU CA C 13 52.69 . . 1 . . . . . . . . 4806 1 149 . 1 1 30 30 LEU CB C 13 42.1 . . 1 . . . . . . . . 4806 1 150 . 1 1 30 30 LEU CG C 13 26.3 . . 1 . . . . . . . . 4806 1 151 . 1 1 30 30 LEU CD1 C 13 27.0 . . 2 . . . . . . . . 4806 1 152 . 1 1 30 30 LEU CD2 C 13 24.0 . . 2 . . . . . . . . 4806 1 153 . 1 1 30 30 LEU N N 15 122.44 . . 1 . . . . . . . . 4806 1 154 . 1 1 31 31 THR H H 1 8.69 . . 1 . . . . . . . . 4806 1 155 . 1 1 31 31 THR CA C 13 69.04 . . 1 . . . . . . . . 4806 1 156 . 1 1 31 31 THR N N 15 119.22 . . 1 . . . . . . . . 4806 1 157 . 1 1 32 32 LYS H H 1 9.03 . . 1 . . . . . . . . 4806 1 158 . 1 1 32 32 LYS CA C 13 57.41 . . 1 . . . . . . . . 4806 1 159 . 1 1 32 32 LYS N N 15 117.20 . . 1 . . . . . . . . 4806 1 160 . 1 1 33 33 PHE H H 1 8.13 . . 1 . . . . . . . . 4806 1 161 . 1 1 33 33 PHE CA C 13 57.33 . . 1 . . . . . . . . 4806 1 162 . 1 1 33 33 PHE N N 15 120.05 . . 1 . . . . . . . . 4806 1 163 . 1 1 34 34 LEU H H 1 7.43 . . 1 . . . . . . . . 4806 1 164 . 1 1 34 34 LEU CA C 13 58.31 . . 1 . . . . . . . . 4806 1 165 . 1 1 34 34 LEU N N 15 113.14 . . 1 . . . . . . . . 4806 1 166 . 1 1 35 35 GLU H H 1 8.35 . . 1 . . . . . . . . 4806 1 167 . 1 1 35 35 GLU CA C 13 57.28 . . 1 . . . . . . . . 4806 1 168 . 1 1 35 35 GLU N N 15 117.96 . . 1 . . . . . . . . 4806 1 169 . 1 1 36 36 GLU H H 1 7.85 . . 1 . . . . . . . . 4806 1 170 . 1 1 36 36 GLU CA C 13 60.43 . . 1 . . . . . . . . 4806 1 171 . 1 1 36 36 GLU N N 15 119.25 . . 1 . . . . . . . . 4806 1 172 . 1 1 37 37 HIS H H 1 8.66 . . 1 . . . . . . . . 4806 1 173 . 1 1 37 37 HIS N N 15 120.84 . . 1 . . . . . . . . 4806 1 174 . 1 1 39 39 GLY CA C 13 46.59 . . 1 . . . . . . . . 4806 1 175 . 1 1 40 40 GLY H H 1 10.85 . . 1 . . . . . . . . 4806 1 176 . 1 1 40 40 GLY CA C 13 46.88 . . 1 . . . . . . . . 4806 1 177 . 1 1 40 40 GLY N N 15 113.06 . . 1 . . . . . . . . 4806 1 178 . 1 1 41 41 GLU H H 1 10.15 . . 1 . . . . . . . . 4806 1 179 . 1 1 41 41 GLU CA C 13 59.42 . . 1 . . . . . . . . 4806 1 180 . 1 1 41 41 GLU N N 15 121.36 . . 1 . . . . . . . . 4806 1 181 . 1 1 42 42 GLU H H 1 9.65 . . 1 . . . . . . . . 4806 1 182 . 1 1 42 42 GLU CA C 13 61.70 . . 1 . . . . . . . . 4806 1 183 . 1 1 42 42 GLU N N 15 124.18 . . 1 . . . . . . . . 4806 1 184 . 1 1 43 43 VAL H H 1 9.47 . . 1 . . . . . . . . 4806 1 185 . 1 1 43 43 VAL CA C 13 64.21 . . 1 . . . . . . . . 4806 1 186 . 1 1 43 43 VAL N N 15 113.18 . . 1 . . . . . . . . 4806 1 187 . 1 1 44 44 LEU H H 1 7.35 . . 1 . . . . . . . . 4806 1 188 . 1 1 44 44 LEU CA C 13 56.03 . . 1 . . . . . . . . 4806 1 189 . 1 1 44 44 LEU N N 15 116.19 . . 1 . . . . . . . . 4806 1 190 . 1 1 45 45 ARG H H 1 8.91 . . 1 . . . . . . . . 4806 1 191 . 1 1 45 45 ARG CA C 13 59.52 . . 1 . . . . . . . . 4806 1 192 . 1 1 45 45 ARG N N 15 119.89 . . 1 . . . . . . . . 4806 1 193 . 1 1 46 46 GLU H H 1 8.19 . . 1 . . . . . . . . 4806 1 194 . 1 1 46 46 GLU CA C 13 58.52 . . 1 . . . . . . . . 4806 1 195 . 1 1 46 46 GLU N N 15 116.66 . . 1 . . . . . . . . 4806 1 196 . 1 1 47 47 GLN H H 1 6.60 . . 1 . . . . . . . . 4806 1 197 . 1 1 47 47 GLN CA C 13 53.11 . . 1 . . . . . . . . 4806 1 198 . 1 1 47 47 GLN N N 15 112.94 . . 1 . . . . . . . . 4806 1 199 . 1 1 48 48 ALA H H 1 6.82 . . 1 . . . . . . . . 4806 1 200 . 1 1 48 48 ALA CA C 13 53.29 . . 1 . . . . . . . . 4806 1 201 . 1 1 48 48 ALA N N 15 120.81 . . 1 . . . . . . . . 4806 1 202 . 1 1 49 49 GLY H H 1 9.38 . . 1 . . . . . . . . 4806 1 203 . 1 1 49 49 GLY CA C 13 45.27 . . 1 . . . . . . . . 4806 1 204 . 1 1 49 49 GLY N N 15 110.04 . . 1 . . . . . . . . 4806 1 205 . 1 1 50 50 GLY H H 1 7.38 . . 1 . . . . . . . . 4806 1 206 . 1 1 50 50 GLY CA C 13 44.41 . . 1 . . . . . . . . 4806 1 207 . 1 1 50 50 GLY N N 15 104.64 . . 1 . . . . . . . . 4806 1 208 . 1 1 51 51 ASP H H 1 8.21 . . 1 . . . . . . . . 4806 1 209 . 1 1 51 51 ASP CA C 13 53.54 . . 1 . . . . . . . . 4806 1 210 . 1 1 51 51 ASP N N 15 117.59 . . 1 . . . . . . . . 4806 1 211 . 1 1 52 52 ALA H H 1 8.33 . . 1 . . . . . . . . 4806 1 212 . 1 1 52 52 ALA CA C 13 49.74 . . 1 . . . . . . . . 4806 1 213 . 1 1 52 52 ALA N N 15 130.41 . . 1 . . . . . . . . 4806 1 214 . 1 1 53 53 THR H H 1 8.03 . . 1 . . . . . . . . 4806 1 215 . 1 1 53 53 THR CA C 13 69.14 . . 1 . . . . . . . . 4806 1 216 . 1 1 53 53 THR N N 15 117.57 . . 1 . . . . . . . . 4806 1 217 . 1 1 54 54 GLU H H 1 8.50 . . 1 . . . . . . . . 4806 1 218 . 1 1 54 54 GLU CA C 13 59.66 . . 1 . . . . . . . . 4806 1 219 . 1 1 54 54 GLU N N 15 119.20 . . 1 . . . . . . . . 4806 1 220 . 1 1 55 55 ASN H H 1 7.45 . . 1 . . . . . . . . 4806 1 221 . 1 1 55 55 ASN CA C 13 55.78 . . 1 . . . . . . . . 4806 1 222 . 1 1 55 55 ASN N N 15 116.36 . . 1 . . . . . . . . 4806 1 223 . 1 1 56 56 PHE H H 1 7.94 . . 1 . . . . . . . . 4806 1 224 . 1 1 56 56 PHE CA C 13 62.12 . . 1 . . . . . . . . 4806 1 225 . 1 1 56 56 PHE N N 15 117.93 . . 1 . . . . . . . . 4806 1 226 . 1 1 57 57 GLU H H 1 8.81 . . 1 . . . . . . . . 4806 1 227 . 1 1 57 57 GLU CA C 13 59.12 . . 1 . . . . . . . . 4806 1 228 . 1 1 57 57 GLU N N 15 119.75 . . 1 . . . . . . . . 4806 1 229 . 1 1 58 58 ASP H H 1 8.94 . . 1 . . . . . . . . 4806 1 230 . 1 1 58 58 ASP CA C 13 57.44 . . 1 . . . . . . . . 4806 1 231 . 1 1 58 58 ASP N N 15 121.72 . . 1 . . . . . . . . 4806 1 232 . 1 1 59 59 VAL H H 1 8.17 . . 1 . . . . . . . . 4806 1 233 . 1 1 59 59 VAL CA C 13 65.47 . . 1 . . . . . . . . 4806 1 234 . 1 1 59 59 VAL N N 15 116.03 . . 1 . . . . . . . . 4806 1 235 . 1 1 60 60 GLY H H 1 9.04 . . 1 . . . . . . . . 4806 1 236 . 1 1 60 60 GLY CA C 13 47.98 . . 1 . . . . . . . . 4806 1 237 . 1 1 60 60 GLY N N 15 109.21 . . 1 . . . . . . . . 4806 1 238 . 1 1 61 61 HIS H H 1 11.28 . . 1 . . . . . . . . 4806 1 239 . 1 1 61 61 HIS CA C 13 80.78 . . 1 . . . . . . . . 4806 1 240 . 1 1 61 61 HIS N N 15 119.77 . . 1 . . . . . . . . 4806 1 241 . 1 1 62 62 SER H H 1 11.62 . . 1 . . . . . . . . 4806 1 242 . 1 1 62 62 SER CA C 13 59.26 . . 1 . . . . . . . . 4806 1 243 . 1 1 62 62 SER N N 15 125.27 . . 1 . . . . . . . . 4806 1 244 . 1 1 63 63 THR H H 1 9.37 . . 1 . . . . . . . . 4806 1 245 . 1 1 63 63 THR CA C 13 67.10 . . 1 . . . . . . . . 4806 1 246 . 1 1 63 63 THR N N 15 116.79 . . 1 . . . . . . . . 4806 1 247 . 1 1 64 64 ASP H H 1 8.37 . . 1 . . . . . . . . 4806 1 248 . 1 1 64 64 ASP CA C 13 57.73 . . 1 . . . . . . . . 4806 1 249 . 1 1 64 64 ASP N N 15 121.75 . . 1 . . . . . . . . 4806 1 250 . 1 1 65 65 ALA H H 1 8.82 . . 1 . . . . . . . . 4806 1 251 . 1 1 65 65 ALA CA C 13 56.04 . . 1 . . . . . . . . 4806 1 252 . 1 1 65 65 ALA N N 15 124.72 . . 1 . . . . . . . . 4806 1 253 . 1 1 66 66 ARG H H 1 9.11 . . 1 . . . . . . . . 4806 1 254 . 1 1 66 66 ARG CA C 13 60.68 . . 1 . . . . . . . . 4806 1 255 . 1 1 66 66 ARG N N 15 118.80 . . 1 . . . . . . . . 4806 1 256 . 1 1 67 67 GLU H H 1 9.13 . . 1 . . . . . . . . 4806 1 257 . 1 1 67 67 GLU N N 15 123.13 . . 1 . . . . . . . . 4806 1 258 . 1 1 68 68 LEU CA C 13 57.67 . . 1 . . . . . . . . 4806 1 259 . 1 1 69 69 SER H H 1 8.48 . . 1 . . . . . . . . 4806 1 260 . 1 1 69 69 SER CA C 13 62.12 . . 1 . . . . . . . . 4806 1 261 . 1 1 69 69 SER N N 15 114.54 . . 1 . . . . . . . . 4806 1 262 . 1 1 70 70 LYS H H 1 7.20 . . 1 . . . . . . . . 4806 1 263 . 1 1 70 70 LYS CA C 13 58.79 . . 1 . . . . . . . . 4806 1 264 . 1 1 70 70 LYS N N 15 120.21 . . 1 . . . . . . . . 4806 1 265 . 1 1 71 71 THR H H 1 7.64 . . 1 . . . . . . . . 4806 1 266 . 1 1 71 71 THR CA C 13 63.99 . . 1 . . . . . . . . 4806 1 267 . 1 1 71 71 THR N N 15 109.93 . . 1 . . . . . . . . 4806 1 268 . 1 1 72 72 PHE H H 1 7.28 . . 1 . . . . . . . . 4806 1 269 . 1 1 72 72 PHE CA C 13 56.76 . . 1 . . . . . . . . 4806 1 270 . 1 1 72 72 PHE N N 15 117.95 . . 1 . . . . . . . . 4806 1 271 . 1 1 73 73 ILE H H 1 6.76 . . 1 . . . . . . . . 4806 1 272 . 1 1 73 73 ILE CA C 13 62.83 . . 1 . . . . . . . . 4806 1 273 . 1 1 73 73 ILE N N 15 120.24 . . 1 . . . . . . . . 4806 1 274 . 1 1 74 74 ILE H H 1 8.62 . . 1 . . . . . . . . 4806 1 275 . 1 1 74 74 ILE CA C 13 60.80 . . 1 . . . . . . . . 4806 1 276 . 1 1 74 74 ILE N N 15 119.66 . . 1 . . . . . . . . 4806 1 277 . 1 1 75 75 GLY H H 1 7.31 . . 1 . . . . . . . . 4806 1 278 . 1 1 75 75 GLY CA C 13 45.69 . . 1 . . . . . . . . 4806 1 279 . 1 1 75 75 GLY N N 15 110.77 . . 1 . . . . . . . . 4806 1 280 . 1 1 76 76 GLU H H 1 8.99 . . 1 . . . . . . . . 4806 1 281 . 1 1 76 76 GLU CA C 13 54.70 . . 1 . . . . . . . . 4806 1 282 . 1 1 76 76 GLU N N 15 118.61 . . 1 . . . . . . . . 4806 1 283 . 1 1 77 77 LEU H H 1 8.88 . . 1 . . . . . . . . 4806 1 284 . 1 1 77 77 LEU CA C 13 54.61 . . 1 . . . . . . . . 4806 1 285 . 1 1 77 77 LEU N N 15 122.95 . . 1 . . . . . . . . 4806 1 286 . 1 1 78 78 HIS H H 1 9.05 . . 1 . . . . . . . . 4806 1 287 . 1 1 78 78 HIS HE1 H 1 7.53 . . 1 . . . . . . . . 4806 1 288 . 1 1 78 78 HIS CE1 C 13 139.12 . . 1 . . . . . . . . 4806 1 289 . 1 1 78 78 HIS N N 15 131.26 . . 1 . . . . . . . . 4806 1 290 . 1 1 79 79 PRO CA C 13 65.72 . . 1 . . . . . . . . 4806 1 291 . 1 1 80 80 ASP H H 1 11.12 . . 1 . . . . . . . . 4806 1 292 . 1 1 80 80 ASP CA C 13 56.44 . . 1 . . . . . . . . 4806 1 293 . 1 1 80 80 ASP N N 15 121.07 . . 1 . . . . . . . . 4806 1 294 . 1 1 81 81 ASP H H 1 8.21 . . 1 . . . . . . . . 4806 1 295 . 1 1 81 81 ASP CA C 13 54.49 . . 1 . . . . . . . . 4806 1 296 . 1 1 81 81 ASP N N 15 118.81 . . 1 . . . . . . . . 4806 1 297 . 1 1 82 82 ARG H H 1 6.99 . . 1 . . . . . . . . 4806 1 298 . 1 1 82 82 ARG N N 15 124.30 . . 1 . . . . . . . . 4806 1 stop_ save_