################################### # 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 25779 _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 1 '2D 1H-15N HSQC' . . . 25779 1 4 '3D HNCACB' . . . 25779 1 5 '3D CBCA(CO)NH' . . . 25779 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 25779 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.Ambiguity_set_ID _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 6 6 ARG H H 1 7 0.02 . 1 . . . . . 108 ARG H . 25779 1 2 . 1 1 6 6 ARG CA C 13 55.4 0.3 . 1 . . . . . 108 ARG CA . 25779 1 3 . 1 1 6 6 ARG CB C 13 29.5 0.3 . 1 . . . . . 108 ARG CB . 25779 1 4 . 1 1 6 6 ARG N N 15 116.5 0.3 . 1 . . . . . 108 ARG N . 25779 1 5 . 1 1 7 7 GLY H H 1 7.82 0.02 . 1 . . . . . 109 GLY H . 25779 1 6 . 1 1 7 7 GLY CA C 13 44.7 0.3 . 1 . . . . . 109 GLY CA . 25779 1 7 . 1 1 7 7 GLY N N 15 108 0.3 . 1 . . . . . 109 GLY N . 25779 1 8 . 1 1 8 8 ARG H H 1 7.98 0.02 . 1 . . . . . 110 ARG H . 25779 1 9 . 1 1 8 8 ARG CA C 13 57.3 0.3 . 1 . . . . . 110 ARG CA . 25779 1 10 . 1 1 8 8 ARG CB C 13 37.8 0.3 . 1 . . . . . 110 ARG CB . 25779 1 11 . 1 1 8 8 ARG N N 15 121.5 0.3 . 1 . . . . . 110 ARG N . 25779 1 12 . 1 1 9 9 TYR H H 1 8.53 0.02 . 1 . . . . . 111 TYR H . 25779 1 13 . 1 1 9 9 TYR CA C 13 61.4 0.3 . 1 . . . . . 111 TYR CA . 25779 1 14 . 1 1 9 9 TYR CB C 13 34 0.3 . 1 . . . . . 111 TYR CB . 25779 1 15 . 1 1 9 9 TYR N N 15 125.2 0.3 . 1 . . . . . 111 TYR N . 25779 1 16 . 1 1 10 10 VAL H H 1 9.01 0.02 . 1 . . . . . 112 VAL H . 25779 1 17 . 1 1 10 10 VAL CA C 13 57.8 0.3 . 1 . . . . . 112 VAL CA . 25779 1 18 . 1 1 10 10 VAL CB C 13 33 0.3 . 1 . . . . . 112 VAL CB . 25779 1 19 . 1 1 10 10 VAL N N 15 117 0.3 . 1 . . . . . 112 VAL N . 25779 1 20 . 1 1 12 12 GLU H H 1 9.08 0.02 . 1 . . . . . 114 GLU H . 25779 1 21 . 1 1 12 12 GLU CA C 13 54.4 0.3 . 1 . . . . . 114 GLU CA . 25779 1 22 . 1 1 12 12 GLU CB C 13 32.2 0.3 . 1 . . . . . 114 GLU CB . 25779 1 23 . 1 1 12 12 GLU N N 15 121 0.3 . 1 . . . . . 114 GLU N . 25779 1 24 . 1 1 13 13 VAL H H 1 8.53 0.02 . 1 . . . . . 115 VAL H . 25779 1 25 . 1 1 13 13 VAL CA C 13 59.8 0.3 . 1 . . . . . 115 VAL CA . 25779 1 26 . 1 1 13 13 VAL CB C 13 33.5 0.3 . 1 . . . . . 115 VAL CB . 25779 1 27 . 1 1 13 13 VAL N N 15 126.2 0.3 . 1 . . . . . 115 VAL N . 25779 1 28 . 1 1 14 14 THR H H 1 8.94 0.02 . 1 . . . . . 116 THR H . 25779 1 29 . 1 1 14 14 THR CA C 13 59.8 0.3 . 1 . . . . . 116 THR CA . 25779 1 30 . 1 1 14 14 THR CB C 13 71.1 0.3 . 1 . . . . . 116 THR CB . 25779 1 31 . 1 1 14 14 THR N N 15 116.7 0.3 . 1 . . . . . 116 THR N . 25779 1 32 . 1 1 15 15 GLY H H 1 8.18 0.02 . 1 . . . . . 117 GLY H . 25779 1 33 . 1 1 15 15 GLY CA C 13 45 0.3 . 1 . . . . . 117 GLY CA . 25779 1 34 . 1 1 15 15 GLY N N 15 108.2 0.3 . 1 . . . . . 117 GLY N . 25779 1 35 . 1 1 16 16 LEU H H 1 8.41 0.02 . 1 . . . . . 118 LEU H . 25779 1 36 . 1 1 16 16 LEU CA C 13 59.5 0.3 . 1 . . . . . 118 LEU CA . 25779 1 37 . 1 1 16 16 LEU CB C 13 40.7 0.3 . 1 . . . . . 118 LEU CB . 25779 1 38 . 1 1 16 16 LEU N N 15 120.3 0.3 . 1 . . . . . 118 LEU N . 25779 1 39 . 1 1 18 18 ILE H H 1 9.18 0.02 . 1 . . . . . 120 ILE H . 25779 1 40 . 1 1 18 18 ILE CA C 13 63.5 0.3 . 1 . . . . . 120 ILE CA . 25779 1 41 . 1 1 18 18 ILE CB C 13 36.7 0.3 . 1 . . . . . 120 ILE CB . 25779 1 42 . 1 1 18 18 ILE N N 15 125.9 0.3 . 1 . . . . . 120 ILE N . 25779 1 43 . 1 1 19 19 SER H H 1 7.38 0.02 . 1 . . . . . 121 SER H . 25779 1 44 . 1 1 19 19 SER CA C 13 58.2 0.3 . 1 . . . . . 121 SER CA . 25779 1 45 . 1 1 19 19 SER CB C 13 63.8 0.3 . 1 . . . . . 121 SER CB . 25779 1 46 . 1 1 19 19 SER N N 15 109.5 0.3 . 1 . . . . . 121 SER N . 25779 1 47 . 1 1 20 20 GLY H H 1 7.79 0.02 . 1 . . . . . 122 GLY H . 25779 1 48 . 1 1 20 20 GLY CA C 13 45.8 0.3 . 1 . . . . . 122 GLY CA . 25779 1 49 . 1 1 20 20 GLY N N 15 107.6 0.3 . 1 . . . . . 122 GLY N . 25779 1 50 . 1 1 21 21 SER H H 1 8.98 0.02 . 1 . . . . . 123 SER H . 25779 1 51 . 1 1 21 21 SER CA C 13 55.6 0.3 . 1 . . . . . 123 SER CA . 25779 1 52 . 1 1 21 21 SER CB C 13 66.9 0.3 . 1 . . . . . 123 SER CB . 25779 1 53 . 1 1 21 21 SER N N 15 123.2 0.3 . 1 . . . . . 123 SER N . 25779 1 54 . 1 1 22 22 TRP H H 1 8.79 0.02 . 1 . . . . . 124 TRP H . 25779 1 55 . 1 1 22 22 TRP HE1 H 1 10.08 0.02 . 1 . . . . . 124 TRP HE1 . 25779 1 56 . 1 1 22 22 TRP CA C 13 60.3 0.3 . 1 . . . . . 124 TRP CA . 25779 1 57 . 1 1 22 22 TRP CB C 13 27.1 0.3 . 1 . . . . . 124 TRP CB . 25779 1 58 . 1 1 22 22 TRP N N 15 120 0.3 . 1 . . . . . 124 TRP N . 25779 1 59 . 1 1 22 22 TRP NE1 N 15 130 0.3 . 1 . . . . . 124 TRP NE1 . 25779 1 60 . 1 1 23 23 GLN H H 1 7.62 0.02 . 1 . . . . . 125 GLN H . 25779 1 61 . 1 1 23 23 GLN CA C 13 59.4 0.3 . 1 . . . . . 125 GLN CA . 25779 1 62 . 1 1 23 23 GLN CB C 13 26.8 0.3 . 1 . . . . . 125 GLN CB . 25779 1 63 . 1 1 23 23 GLN N N 15 123 0.3 . 1 . . . . . 125 GLN N . 25779 1 64 . 1 1 24 24 ASP H H 1 7.72 0.02 . 1 . . . . . 126 ASP H . 25779 1 65 . 1 1 24 24 ASP CA C 13 56.8 0.3 . 1 . . . . . 126 ASP CA . 25779 1 66 . 1 1 24 24 ASP CB C 13 41.1 0.3 . 1 . . . . . 126 ASP CB . 25779 1 67 . 1 1 24 24 ASP N N 15 119.5 0.3 . 1 . . . . . 126 ASP N . 25779 1 68 . 1 1 25 25 LEU H H 1 7.88 0.02 . 1 . . . . . 127 LEU H . 25779 1 69 . 1 1 25 25 LEU CA C 13 56.7 0.3 . 1 . . . . . 127 LEU CA . 25779 1 70 . 1 1 25 25 LEU CB C 13 41.2 0.3 . 1 . . . . . 127 LEU CB . 25779 1 71 . 1 1 25 25 LEU N N 15 122.6 0.3 . 1 . . . . . 127 LEU N . 25779 1 72 . 1 1 30 30 ARG H H 1 7.18 0.02 . 1 . . . . . 132 ARG H . 25779 1 73 . 1 1 30 30 ARG CA C 13 59.1 0.3 . 1 . . . . . 132 ARG CA . 25779 1 74 . 1 1 30 30 ARG CB C 13 29.5 0.3 . 1 . . . . . 132 ARG CB . 25779 1 75 . 1 1 30 30 ARG N N 15 121.7 0.3 . 1 . . . . . 132 ARG N . 25779 1 76 . 1 1 31 31 GLU H H 1 8.97 0.02 . 1 . . . . . 133 GLU H . 25779 1 77 . 1 1 31 31 GLU CA C 13 57.8 0.3 . 1 . . . . . 133 GLU CA . 25779 1 78 . 1 1 31 31 GLU CB C 13 29.3 0.3 . 1 . . . . . 133 GLU CB . 25779 1 79 . 1 1 31 31 GLU N N 15 117.3 0.3 . 1 . . . . . 133 GLU N . 25779 1 80 . 1 1 32 32 ALA H H 1 8.11 0.02 . 1 . . . . . 134 ALA H . 25779 1 81 . 1 1 32 32 ALA CA C 13 52.8 0.3 . 1 . . . . . 134 ALA CA . 25779 1 82 . 1 1 32 32 ALA CB C 13 18.2 0.3 . 1 . . . . . 134 ALA CB . 25779 1 83 . 1 1 32 32 ALA N N 15 120.6 0.3 . 1 . . . . . 134 ALA N . 25779 1 84 . 1 1 33 33 GLY H H 1 7.34 0.02 . 1 . . . . . 135 GLY H . 25779 1 85 . 1 1 33 33 GLY CA C 13 43.7 0.3 . 1 . . . . . 135 GLY CA . 25779 1 86 . 1 1 33 33 GLY N N 15 101.6 0.3 . 1 . . . . . 135 GLY N . 25779 1 87 . 1 1 34 34 GLU H H 1 8.26 0.02 . 1 . . . . . 136 GLU H . 25779 1 88 . 1 1 34 34 GLU CA C 13 56.7 0.3 . 1 . . . . . 136 GLU CA . 25779 1 89 . 1 1 34 34 GLU CB C 13 29.6 0.3 . 1 . . . . . 136 GLU CB . 25779 1 90 . 1 1 34 34 GLU N N 15 119.5 0.3 . 1 . . . . . 136 GLU N . 25779 1 91 . 1 1 35 35 CYS H H 1 8.35 0.02 . 1 . . . . . 137 CYS H . 25779 1 92 . 1 1 35 35 CYS CA C 13 56.5 0.3 . 1 . . . . . 137 CYS CA . 25779 1 93 . 1 1 35 35 CYS CB C 13 28.5 0.3 . 1 . . . . . 137 CYS CB . 25779 1 94 . 1 1 35 35 CYS N N 15 122.2 0.3 . 1 . . . . . 137 CYS N . 25779 1 95 . 1 1 36 36 GLY H H 1 8.21 0.02 . 1 . . . . . 138 GLY H . 25779 1 96 . 1 1 36 36 GLY CA C 13 45.8 0.3 . 1 . . . . . 138 GLY CA . 25779 1 97 . 1 1 36 36 GLY N N 15 112.4 0.3 . 1 . . . . . 138 GLY N . 25779 1 98 . 1 1 37 37 HIS H H 1 7.53 0.02 . 1 . . . . . 139 HIS H . 25779 1 99 . 1 1 37 37 HIS CA C 13 55 0.3 . 1 . . . . . 139 HIS CA . 25779 1 100 . 1 1 37 37 HIS CB C 13 31.3 0.3 . 1 . . . . . 139 HIS CB . 25779 1 101 . 1 1 37 37 HIS N N 15 119.3 0.3 . 1 . . . . . 139 HIS N . 25779 1 102 . 1 1 38 38 ALA H H 1 7.76 0.02 . 1 . . . . . 140 ALA H . 25779 1 103 . 1 1 38 38 ALA CA C 13 50.4 0.3 . 1 . . . . . 140 ALA CA . 25779 1 104 . 1 1 38 38 ALA CB C 13 22.1 0.3 . 1 . . . . . 140 ALA CB . 25779 1 105 . 1 1 38 38 ALA N N 15 124.2 0.3 . 1 . . . . . 140 ALA N . 25779 1 106 . 1 1 39 39 ASP H H 1 8.58 0.02 . 1 . . . . . 141 ASP H . 25779 1 107 . 1 1 39 39 ASP CA C 13 52.8 0.3 . 1 . . . . . 141 ASP CA . 25779 1 108 . 1 1 39 39 ASP CB C 13 45.2 0.3 . 1 . . . . . 141 ASP CB . 25779 1 109 . 1 1 39 39 ASP N N 15 119.5 0.3 . 1 . . . . . 141 ASP N . 25779 1 110 . 1 1 40 40 VAL H H 1 8.23 0.02 . 1 . . . . . 142 VAL H . 25779 1 111 . 1 1 40 40 VAL CA C 13 60.2 0.3 . 1 . . . . . 142 VAL CA . 25779 1 112 . 1 1 40 40 VAL CB C 13 34.1 0.3 . 1 . . . . . 142 VAL CB . 25779 1 113 . 1 1 40 40 VAL N N 15 114.4 0.3 . 1 . . . . . 142 VAL N . 25779 1 114 . 1 1 44 44 GLY H H 1 8.25 0.02 . 1 . . . . . 146 GLY H . 25779 1 115 . 1 1 44 44 GLY CA C 13 45.2 0.3 . 1 . . . . . 146 GLY CA . 25779 1 116 . 1 1 44 44 GLY N N 15 109.3 0.3 . 1 . . . . . 146 GLY N . 25779 1 117 . 1 1 45 45 THR H H 1 7.93 0.02 . 1 . . . . . 147 THR H . 25779 1 118 . 1 1 45 45 THR CA C 13 59.7 0.3 . 1 . . . . . 147 THR CA . 25779 1 119 . 1 1 45 45 THR CB C 13 72.4 0.3 . 1 . . . . . 147 THR CB . 25779 1 120 . 1 1 45 45 THR N N 15 110.9 0.3 . 1 . . . . . 147 THR N . 25779 1 121 . 1 1 46 46 GLY H H 1 9 0.02 . 1 . . . . . 148 GLY H . 25779 1 122 . 1 1 46 46 GLY CA C 13 45.6 0.3 . 1 . . . . . 148 GLY CA . 25779 1 123 . 1 1 46 46 GLY N N 15 107.4 0.3 . 1 . . . . . 148 GLY N . 25779 1 124 . 1 1 47 47 GLU H H 1 8.8 0.02 . 1 . . . . . 149 GLU H . 25779 1 125 . 1 1 47 47 GLU CA C 13 55 0.3 . 1 . . . . . 149 GLU CA . 25779 1 126 . 1 1 47 47 GLU CB C 13 34.3 0.3 . 1 . . . . . 149 GLU CB . 25779 1 127 . 1 1 47 47 GLU N N 15 120.5 0.3 . 1 . . . . . 149 GLU N . 25779 1 128 . 1 1 48 48 VAL H H 1 8.06 0.02 . 1 . . . . . 150 VAL H . 25779 1 129 . 1 1 48 48 VAL CA C 13 60.4 0.3 . 1 . . . . . 150 VAL CA . 25779 1 130 . 1 1 48 48 VAL CB C 13 34.7 0.3 . 1 . . . . . 150 VAL CB . 25779 1 131 . 1 1 48 48 VAL N N 15 119.8 0.3 . 1 . . . . . 150 VAL N . 25779 1 132 . 1 1 49 49 SER H H 1 8.06 0.02 . 1 . . . . . 151 SER H . 25779 1 133 . 1 1 49 49 SER CA C 13 55.7 0.3 . 1 . . . . . 151 SER CA . 25779 1 134 . 1 1 49 49 SER CB C 13 66.3 0.3 . 1 . . . . . 151 SER CB . 25779 1 135 . 1 1 49 49 SER N N 15 119.5 0.3 . 1 . . . . . 151 SER N . 25779 1 136 . 1 1 50 50 PHE H H 1 9.07 0.02 . 1 . . . . . 152 PHE H . 25779 1 137 . 1 1 50 50 PHE CA C 13 56.9 0.3 . 1 . . . . . 152 PHE CA . 25779 1 138 . 1 1 50 50 PHE CB C 13 42.2 0.3 . 1 . . . . . 152 PHE CB . 25779 1 139 . 1 1 50 50 PHE N N 15 119.3 0.3 . 1 . . . . . 152 PHE N . 25779 1 140 . 1 1 51 51 PHE H H 1 9.1 0.02 . 1 . . . . . 153 PHE H . 25779 1 141 . 1 1 51 51 PHE CA C 13 59 0.3 . 1 . . . . . 153 PHE CA . 25779 1 142 . 1 1 51 51 PHE CB C 13 39.3 0.3 . 1 . . . . . 153 PHE CB . 25779 1 143 . 1 1 51 51 PHE N N 15 118.4 0.3 . 1 . . . . . 153 PHE N . 25779 1 144 . 1 1 52 52 ASN H H 1 7.68 0.02 . 1 . . . . . 154 ASN H . 25779 1 145 . 1 1 52 52 ASN CA C 13 51.4 0.3 . 1 . . . . . 154 ASN CA . 25779 1 146 . 1 1 52 52 ASN CB C 13 41 0.3 . 1 . . . . . 154 ASN CB . 25779 1 147 . 1 1 52 52 ASN N N 15 114.1 0.3 . 1 . . . . . 154 ASN N . 25779 1 148 . 1 1 53 53 LYS H H 1 8.37 0.02 . 1 . . . . . 155 LYS H . 25779 1 149 . 1 1 53 53 LYS CA C 13 59.2 0.3 . 1 . . . . . 155 LYS CA . 25779 1 150 . 1 1 53 53 LYS CB C 13 31.9 0.3 . 1 . . . . . 155 LYS CB . 25779 1 151 . 1 1 53 53 LYS N N 15 125 0.3 . 1 . . . . . 155 LYS N . 25779 1 152 . 1 1 54 54 ASP H H 1 8.11 0.02 . 1 . . . . . 156 ASP H . 25779 1 153 . 1 1 54 54 ASP CA C 13 57.1 0.3 . 1 . . . . . 156 ASP CA . 25779 1 154 . 1 1 54 54 ASP CB C 13 39.2 0.3 . 1 . . . . . 156 ASP CB . 25779 1 155 . 1 1 54 54 ASP N N 15 117.5 0.3 . 1 . . . . . 156 ASP N . 25779 1 156 . 1 1 55 55 ASP H H 1 7.66 0.02 . 1 . . . . . 157 ASP H . 25779 1 157 . 1 1 55 55 ASP CA C 13 56.4 0.3 . 1 . . . . . 157 ASP CA . 25779 1 158 . 1 1 55 55 ASP CB C 13 39.9 0.3 . 1 . . . . . 157 ASP CB . 25779 1 159 . 1 1 55 55 ASP N N 15 120.9 0.3 . 1 . . . . . 157 ASP N . 25779 1 160 . 1 1 56 56 MET H H 1 6.48 0.02 . 1 . . . . . 158 MET H . 25779 1 161 . 1 1 56 56 MET CA C 13 58.4 0.3 . 1 . . . . . 158 MET CA . 25779 1 162 . 1 1 56 56 MET CB C 13 30.6 0.3 . 1 . . . . . 158 MET CB . 25779 1 163 . 1 1 56 56 MET N N 15 118.6 0.3 . 1 . . . . . 158 MET N . 25779 1 164 . 1 1 57 57 LEU H H 1 8.03 0.02 . 1 . . . . . 159 LEU H . 25779 1 165 . 1 1 57 57 LEU CA C 13 58.3 0.3 . 1 . . . . . 159 LEU CA . 25779 1 166 . 1 1 57 57 LEU CB C 13 41 0.3 . 1 . . . . . 159 LEU CB . 25779 1 167 . 1 1 57 57 LEU N N 15 117.5 0.3 . 1 . . . . . 159 LEU N . 25779 1 168 . 1 1 58 58 GLU H H 1 7.94 0.02 . 1 . . . . . 160 GLU H . 25779 1 169 . 1 1 58 58 GLU CA C 13 58.5 0.3 . 1 . . . . . 160 GLU CA . 25779 1 170 . 1 1 58 58 GLU CB C 13 28.5 0.3 . 1 . . . . . 160 GLU CB . 25779 1 171 . 1 1 58 58 GLU N N 15 120.8 0.3 . 1 . . . . . 160 GLU N . 25779 1 172 . 1 1 59 59 ALA H H 1 7.8 0.02 . 1 . . . . . 161 ALA H . 25779 1 173 . 1 1 59 59 ALA CA C 13 54.9 0.3 . 1 . . . . . 161 ALA CA . 25779 1 174 . 1 1 59 59 ALA CB C 13 18 0.3 . 1 . . . . . 161 ALA CB . 25779 1 175 . 1 1 59 59 ALA N N 15 121.5 0.3 . 1 . . . . . 161 ALA N . 25779 1 176 . 1 1 60 60 ILE H H 1 7.59 0.02 . 1 . . . . . 162 ILE H . 25779 1 177 . 1 1 60 60 ILE CA C 13 65.8 0.3 . 1 . . . . . 162 ILE CA . 25779 1 178 . 1 1 60 60 ILE CB C 13 38.5 0.3 . 1 . . . . . 162 ILE CB . 25779 1 179 . 1 1 60 60 ILE N N 15 116.7 0.3 . 1 . . . . . 162 ILE N . 25779 1 180 . 1 1 61 61 ASP H H 1 8.05 0.02 . 1 . . . . . 163 ASP H . 25779 1 181 . 1 1 61 61 ASP CA C 13 57.2 0.3 . 1 . . . . . 163 ASP CA . 25779 1 182 . 1 1 61 61 ASP CB C 13 41.2 0.3 . 1 . . . . . 163 ASP CB . 25779 1 183 . 1 1 61 61 ASP N N 15 118.2 0.3 . 1 . . . . . 163 ASP N . 25779 1 184 . 1 1 62 62 LYS H H 1 8.41 0.02 . 1 . . . . . 164 LYS H . 25779 1 185 . 1 1 62 62 LYS CA C 13 57.4 0.3 . 1 . . . . . 164 LYS CA . 25779 1 186 . 1 1 62 62 LYS CB C 13 32.5 0.3 . 1 . . . . . 164 LYS CB . 25779 1 187 . 1 1 62 62 LYS N N 15 114 0.3 . 1 . . . . . 164 LYS N . 25779 1 188 . 1 1 63 63 PHE H H 1 7.77 0.02 . 1 . . . . . 165 PHE H . 25779 1 189 . 1 1 63 63 PHE CA C 13 57.8 0.3 . 1 . . . . . 165 PHE CA . 25779 1 190 . 1 1 63 63 PHE CB C 13 39.8 0.3 . 1 . . . . . 165 PHE CB . 25779 1 191 . 1 1 63 63 PHE N N 15 111.2 0.3 . 1 . . . . . 165 PHE N . 25779 1 192 . 1 1 64 64 ASN H H 1 8.38 0.02 . 1 . . . . . 166 ASN H . 25779 1 193 . 1 1 64 64 ASN CA C 13 56.7 0.3 . 1 . . . . . 166 ASN CA . 25779 1 194 . 1 1 64 64 ASN CB C 13 38.6 0.3 . 1 . . . . . 166 ASN CB . 25779 1 195 . 1 1 64 64 ASN N N 15 123.6 0.3 . 1 . . . . . 166 ASN N . 25779 1 196 . 1 1 65 65 GLY H H 1 8.99 0.02 . 1 . . . . . 167 GLY H . 25779 1 197 . 1 1 65 65 GLY CA C 13 46 0.3 . 1 . . . . . 167 GLY CA . 25779 1 198 . 1 1 65 65 GLY N N 15 118.9 0.3 . 1 . . . . . 167 GLY N . 25779 1 199 . 1 1 66 66 SER H H 1 7.57 0.02 . 1 . . . . . 168 SER H . 25779 1 200 . 1 1 66 66 SER CA C 13 57.3 0.3 . 1 . . . . . 168 SER CA . 25779 1 201 . 1 1 66 66 SER CB C 13 65.9 0.3 . 1 . . . . . 168 SER CB . 25779 1 202 . 1 1 66 66 SER N N 15 113.5 0.3 . 1 . . . . . 168 SER N . 25779 1 203 . 1 1 67 67 ILE H H 1 8.48 0.02 . 1 . . . . . 169 ILE H . 25779 1 204 . 1 1 67 67 ILE CA C 13 59.4 0.3 . 1 . . . . . 169 ILE CA . 25779 1 205 . 1 1 67 67 ILE CB C 13 35.6 0.3 . 1 . . . . . 169 ILE CB . 25779 1 206 . 1 1 67 67 ILE N N 15 117.9 0.3 . 1 . . . . . 169 ILE N . 25779 1 207 . 1 1 68 68 PHE H H 1 9.17 0.02 . 1 . . . . . 170 PHE H . 25779 1 208 . 1 1 68 68 PHE CA C 13 55.9 0.3 . 1 . . . . . 170 PHE CA . 25779 1 209 . 1 1 68 68 PHE CB C 13 42.5 0.3 . 1 . . . . . 170 PHE CB . 25779 1 210 . 1 1 68 68 PHE N N 15 132.8 0.3 . 1 . . . . . 170 PHE N . 25779 1 211 . 1 1 69 69 ARG H H 1 8.31 0.02 . 1 . . . . . 171 ARG H . 25779 1 212 . 1 1 69 69 ARG CA C 13 53.2 0.3 . 1 . . . . . 171 ARG CA . 25779 1 213 . 1 1 69 69 ARG CB C 13 32.2 0.3 . 1 . . . . . 171 ARG CB . 25779 1 214 . 1 1 69 69 ARG N N 15 128.1 0.3 . 1 . . . . . 171 ARG N . 25779 1 215 . 1 1 70 70 SER H H 1 9.09 0.02 . 1 . . . . . 172 SER H . 25779 1 216 . 1 1 70 70 SER CA C 13 55.9 0.3 . 1 . . . . . 172 SER CA . 25779 1 217 . 1 1 70 70 SER CB C 13 66.2 0.3 . 1 . . . . . 172 SER CB . 25779 1 218 . 1 1 70 70 SER N N 15 120.6 0.3 . 1 . . . . . 172 SER N . 25779 1 219 . 1 1 71 71 HIS H H 1 9.5 0.02 . 1 . . . . . 173 HIS H . 25779 1 220 . 1 1 71 71 HIS CA C 13 58.3 0.3 . 1 . . . . . 173 HIS CA . 25779 1 221 . 1 1 71 71 HIS CB C 13 26.2 0.3 . 1 . . . . . 173 HIS CB . 25779 1 222 . 1 1 71 71 HIS N N 15 118.5 0.3 . 1 . . . . . 173 HIS N . 25779 1 223 . 1 1 72 72 GLU H H 1 8.16 0.02 . 1 . . . . . 174 GLU H . 25779 1 224 . 1 1 72 72 GLU CA C 13 55.4 0.3 . 1 . . . . . 174 GLU CA . 25779 1 225 . 1 1 72 72 GLU CB C 13 31 0.3 . 1 . . . . . 174 GLU CB . 25779 1 226 . 1 1 72 72 GLU N N 15 121.4 0.3 . 1 . . . . . 174 GLU N . 25779 1 227 . 1 1 73 73 GLY H H 1 8.3 0.02 . 1 . . . . . 175 GLY H . 25779 1 228 . 1 1 73 73 GLY CA C 13 44.5 0.3 . 1 . . . . . 175 GLY CA . 25779 1 229 . 1 1 73 73 GLY N N 15 110.3 0.3 . 1 . . . . . 175 GLY N . 25779 1 230 . 1 1 74 74 GLU H H 1 6.96 0.02 . 1 . . . . . 176 GLU H . 25779 1 231 . 1 1 74 74 GLU CA C 13 56.2 0.3 . 1 . . . . . 176 GLU CA . 25779 1 232 . 1 1 74 74 GLU CB C 13 31 0.3 . 1 . . . . . 176 GLU CB . 25779 1 233 . 1 1 74 74 GLU N N 15 119.6 0.3 . 1 . . . . . 176 GLU N . 25779 1 234 . 1 1 75 75 LYS H H 1 8.52 0.02 . 1 . . . . . 177 LYS H . 25779 1 235 . 1 1 75 75 LYS CA C 13 54.4 0.3 . 1 . . . . . 177 LYS CA . 25779 1 236 . 1 1 75 75 LYS CB C 13 35.4 0.3 . 1 . . . . . 177 LYS CB . 25779 1 237 . 1 1 75 75 LYS N N 15 123.1 0.3 . 1 . . . . . 177 LYS N . 25779 1 238 . 1 1 76 76 SER H H 1 8.87 0.02 . 1 . . . . . 178 SER H . 25779 1 239 . 1 1 76 76 SER CA C 13 57.4 0.3 . 1 . . . . . 178 SER CA . 25779 1 240 . 1 1 76 76 SER CB C 13 65.4 0.3 . 1 . . . . . 178 SER CB . 25779 1 241 . 1 1 76 76 SER N N 15 115.8 0.3 . 1 . . . . . 178 SER N . 25779 1 242 . 1 1 77 77 LYS H H 1 8.18 0.02 . 1 . . . . . 179 LYS H . 25779 1 243 . 1 1 77 77 LYS CA C 13 55.6 0.3 . 1 . . . . . 179 LYS CA . 25779 1 244 . 1 1 77 77 LYS CB C 13 33 0.3 . 1 . . . . . 179 LYS CB . 25779 1 245 . 1 1 77 77 LYS N N 15 124.6 0.3 . 1 . . . . . 179 LYS N . 25779 1 246 . 1 1 78 78 ILE H H 1 8.42 0.02 . 1 . . . . . 180 ILE H . 25779 1 247 . 1 1 78 78 ILE CA C 13 59.4 0.3 . 1 . . . . . 180 ILE CA . 25779 1 248 . 1 1 78 78 ILE CB C 13 40.6 0.3 . 1 . . . . . 180 ILE CB . 25779 1 249 . 1 1 78 78 ILE N N 15 120.1 0.3 . 1 . . . . . 180 ILE N . 25779 1 250 . 1 1 79 79 SER H H 1 8.39 0.02 . 1 . . . . . 181 SER H . 25779 1 251 . 1 1 79 79 SER CA C 13 56.2 0.3 . 1 . . . . . 181 SER CA . 25779 1 252 . 1 1 79 79 SER CB C 13 64.5 0.3 . 1 . . . . . 181 SER CB . 25779 1 253 . 1 1 79 79 SER N N 15 116.4 0.3 . 1 . . . . . 181 SER N . 25779 1 254 . 1 1 80 80 ILE H H 1 8.59 0.02 . 1 . . . . . 182 ILE H . 25779 1 255 . 1 1 80 80 ILE CA C 13 60.1 0.3 . 1 . . . . . 182 ILE CA . 25779 1 256 . 1 1 80 80 ILE CB C 13 41.2 0.3 . 1 . . . . . 182 ILE CB . 25779 1 257 . 1 1 80 80 ILE N N 15 122.2 0.3 . 1 . . . . . 182 ILE N . 25779 1 258 . 1 1 81 81 ARG H H 1 8.4 0.02 . 1 . . . . . 183 ARG H . 25779 1 259 . 1 1 81 81 ARG CA C 13 53.6 0.3 . 1 . . . . . 183 ARG CA . 25779 1 260 . 1 1 81 81 ARG CB C 13 33.5 0.3 . 1 . . . . . 183 ARG CB . 25779 1 261 . 1 1 81 81 ARG N N 15 122.5 0.3 . 1 . . . . . 183 ARG N . 25779 1 262 . 1 1 82 82 GLN H H 1 9.09 0.02 . 1 . . . . . 184 GLN H . 25779 1 263 . 1 1 82 82 GLN CA C 13 57.4 0.3 . 1 . . . . . 184 GLN CA . 25779 1 264 . 1 1 82 82 GLN CB C 13 28.1 0.3 . 1 . . . . . 184 GLN CB . 25779 1 265 . 1 1 82 82 GLN N N 15 122.8 0.3 . 1 . . . . . 184 GLN N . 25779 1 266 . 1 1 83 83 LYS H H 1 8.71 0.02 . 1 . . . . . 185 LYS H . 25779 1 267 . 1 1 83 83 LYS CA C 13 56.7 0.3 . 1 . . . . . 185 LYS CA . 25779 1 268 . 1 1 83 83 LYS CB C 13 33.4 0.3 . 1 . . . . . 185 LYS CB . 25779 1 269 . 1 1 83 83 LYS N N 15 128.3 0.3 . 1 . . . . . 185 LYS N . 25779 1 270 . 1 1 84 84 LYS H H 1 8.11 0.02 . 1 . . . . . 186 LYS H . 25779 1 271 . 1 1 84 84 LYS CA C 13 57.7 0.3 . 1 . . . . . 186 LYS CA . 25779 1 272 . 1 1 84 84 LYS CB C 13 33.2 0.3 . 1 . . . . . 186 LYS CB . 25779 1 273 . 1 1 84 84 LYS N N 15 132.2 0.3 . 1 . . . . . 186 LYS N . 25779 1 stop_ save_