################################### # 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 4967 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Conditions _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 . 4967 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 TRP CA C 13 57.83 0.1 . 1 . . . . . . . . 4967 1 2 . 1 1 1 1 TRP CB C 13 29.66 0.1 . 1 . . . . . . . . 4967 1 3 . 1 1 2 2 VAL H H 1 7.90 0.02 . 1 . . . . . . . . 4967 1 4 . 1 1 2 2 VAL CA C 13 61.40 0.1 . 1 . . . . . . . . 4967 1 5 . 1 1 2 2 VAL CB C 13 33.47 0.1 . 1 . . . . . . . . 4967 1 6 . 1 1 2 2 VAL N N 15 123.48 0.2 . 1 . . . . . . . . 4967 1 7 . 1 1 3 3 GLN H H 1 8.17 0.02 . 1 . . . . . . . . 4967 1 8 . 1 1 3 3 GLN CA C 13 53.67 0.1 . 1 . . . . . . . . 4967 1 9 . 1 1 3 3 GLN CB C 13 29.14 0.1 . 1 . . . . . . . . 4967 1 10 . 1 1 3 3 GLN N N 15 125.00 0.2 . 1 . . . . . . . . 4967 1 11 . 1 1 4 4 PRO CA C 13 63.12 0.1 . 1 . . . . . . . . 4967 1 12 . 1 1 4 4 PRO CB C 13 32.02 0.1 . 1 . . . . . . . . 4967 1 13 . 1 1 5 5 ILE H H 1 8.31 0.02 . 1 . . . . . . . . 4967 1 14 . 1 1 5 5 ILE CA C 13 61.37 0.1 . 1 . . . . . . . . 4967 1 15 . 1 1 5 5 ILE CB C 13 38.57 0.1 . 1 . . . . . . . . 4967 1 16 . 1 1 5 5 ILE N N 15 120.63 0.2 . 1 . . . . . . . . 4967 1 17 . 1 1 6 6 THR H H 1 8.09 0.02 . 1 . . . . . . . . 4967 1 18 . 1 1 6 6 THR CA C 13 61.52 0.1 . 1 . . . . . . . . 4967 1 19 . 1 1 6 6 THR CB C 13 69.98 0.1 . 1 . . . . . . . . 4967 1 20 . 1 1 6 6 THR N N 15 116.32 0.2 . 1 . . . . . . . . 4967 1 21 . 1 1 7 7 ALA H H 1 8.21 0.02 . 1 . . . . . . . . 4967 1 22 . 1 1 7 7 ALA CA C 13 52.68 0.1 . 1 . . . . . . . . 4967 1 23 . 1 1 7 7 ALA CB C 13 19.29 0.1 . 1 . . . . . . . . 4967 1 24 . 1 1 7 7 ALA N N 15 125.24 0.2 . 1 . . . . . . . . 4967 1 25 . 1 1 8 8 GLN H H 1 8.32 0.02 . 1 . . . . . . . . 4967 1 26 . 1 1 8 8 GLN CA C 13 55.69 0.1 . 1 . . . . . . . . 4967 1 27 . 1 1 8 8 GLN CB C 13 29.61 0.1 . 1 . . . . . . . . 4967 1 28 . 1 1 8 8 GLN N N 15 118.82 0.2 . 1 . . . . . . . . 4967 1 29 . 1 1 9 9 LYS H H 1 8.36 0.02 . 1 . . . . . . . . 4967 1 30 . 1 1 9 9 LYS CA C 13 54.31 0.1 . 1 . . . . . . . . 4967 1 31 . 1 1 9 9 LYS CB C 13 32.58 0.1 . 1 . . . . . . . . 4967 1 32 . 1 1 9 9 LYS N N 15 123.54 0.2 . 1 . . . . . . . . 4967 1 33 . 1 1 10 10 PRO CA C 13 62.99 0.1 . 1 . . . . . . . . 4967 1 34 . 1 1 10 10 PRO CB C 13 32.21 0.1 . 1 . . . . . . . . 4967 1 35 . 1 1 11 11 SER H H 1 8.31 0.02 . 1 . . . . . . . . 4967 1 36 . 1 1 11 11 SER CA C 13 57.29 0.1 . 1 . . . . . . . . 4967 1 37 . 1 1 11 11 SER CB C 13 65.62 0.1 . 1 . . . . . . . . 4967 1 38 . 1 1 11 11 SER N N 15 114.84 0.2 . 1 . . . . . . . . 4967 1 39 . 1 1 12 12 LEU H H 1 9.20 0.02 . 1 . . . . . . . . 4967 1 40 . 1 1 12 12 LEU CA C 13 54.95 0.1 . 1 . . . . . . . . 4967 1 41 . 1 1 12 12 LEU CB C 13 45.91 0.1 . 1 . . . . . . . . 4967 1 42 . 1 1 12 12 LEU N N 15 123.40 0.2 . 1 . . . . . . . . 4967 1 43 . 1 1 13 13 THR H H 1 8.87 0.02 . 1 . . . . . . . . 4967 1 44 . 1 1 13 13 THR CA C 13 61.81 0.1 . 1 . . . . . . . . 4967 1 45 . 1 1 13 13 THR CB C 13 70.20 0.1 . 1 . . . . . . . . 4967 1 46 . 1 1 13 13 THR N N 15 126.61 0.2 . 1 . . . . . . . . 4967 1 47 . 1 1 14 14 LEU H H 1 9.05 0.02 . 1 . . . . . . . . 4967 1 48 . 1 1 14 14 LEU CA C 13 53.53 0.1 . 1 . . . . . . . . 4967 1 49 . 1 1 14 14 LEU CB C 13 46.27 0.1 . 1 . . . . . . . . 4967 1 50 . 1 1 14 14 LEU N N 15 124.82 0.2 . 1 . . . . . . . . 4967 1 51 . 1 1 15 15 TRP H H 1 9.06 0.02 . 1 . . . . . . . . 4967 1 52 . 1 1 15 15 TRP CA C 13 58.50 0.1 . 1 . . . . . . . . 4967 1 53 . 1 1 15 15 TRP CB C 13 32.11 0.1 . 1 . . . . . . . . 4967 1 54 . 1 1 15 15 TRP N N 15 120.12 0.2 . 1 . . . . . . . . 4967 1 55 . 1 1 16 16 LEU H H 1 9.81 0.02 . 1 . . . . . . . . 4967 1 56 . 1 1 16 16 LEU CA C 13 53.33 0.1 . 1 . . . . . . . . 4967 1 57 . 1 1 16 16 LEU CB C 13 42.81 0.1 . 1 . . . . . . . . 4967 1 58 . 1 1 16 16 LEU N N 15 122.81 0.2 . 1 . . . . . . . . 4967 1 59 . 1 1 17 17 ASP H H 1 9.76 0.02 . 1 . . . . . . . . 4967 1 60 . 1 1 17 17 ASP CA C 13 55.43 0.1 . 1 . . . . . . . . 4967 1 61 . 1 1 17 17 ASP CB C 13 38.51 0.1 . 1 . . . . . . . . 4967 1 62 . 1 1 17 17 ASP N N 15 124.26 0.2 . 1 . . . . . . . . 4967 1 63 . 1 1 18 18 ASP CA C 13 56.23 0.1 . 1 . . . . . . . . 4967 1 64 . 1 1 18 18 ASP CB C 13 39.77 0.1 . 1 . . . . . . . . 4967 1 65 . 1 1 19 19 LYS H H 1 8.94 0.02 . 1 . . . . . . . . 4967 1 66 . 1 1 19 19 LYS CA C 13 55.44 0.1 . 1 . . . . . . . . 4967 1 67 . 1 1 19 19 LYS CB C 13 34.99 0.1 . 1 . . . . . . . . 4967 1 68 . 1 1 19 19 LYS N N 15 123.05 0.2 . 1 . . . . . . . . 4967 1 69 . 1 1 20 20 MET H H 1 8.59 0.02 . 1 . . . . . . . . 4967 1 70 . 1 1 20 20 MET CA C 13 56.92 0.1 . 1 . . . . . . . . 4967 1 71 . 1 1 20 20 MET CB C 13 34.35 0.1 . 1 . . . . . . . . 4967 1 72 . 1 1 20 20 MET N N 15 125.42 0.2 . 1 . . . . . . . . 4967 1 73 . 1 1 21 21 PHE H H 1 9.59 0.02 . 1 . . . . . . . . 4967 1 74 . 1 1 21 21 PHE CA C 13 57.42 0.1 . 1 . . . . . . . . 4967 1 75 . 1 1 21 21 PHE CB C 13 45.23 0.1 . 1 . . . . . . . . 4967 1 76 . 1 1 21 21 PHE N N 15 124.25 0.2 . 1 . . . . . . . . 4967 1 77 . 1 1 22 22 THR H H 1 9.00 0.02 . 1 . . . . . . . . 4967 1 78 . 1 1 22 22 THR CA C 13 61.45 0.1 . 1 . . . . . . . . 4967 1 79 . 1 1 22 22 THR CB C 13 70.77 0.1 . 1 . . . . . . . . 4967 1 80 . 1 1 22 22 THR N N 15 115.37 0.2 . 1 . . . . . . . . 4967 1 81 . 1 1 23 23 GLY H H 1 8.57 0.02 . 1 . . . . . . . . 4967 1 82 . 1 1 23 23 GLY CA C 13 45.46 0.1 . 1 . . . . . . . . 4967 1 83 . 1 1 23 23 GLY N N 15 113.08 0.2 . 1 . . . . . . . . 4967 1 84 . 1 1 24 24 LEU H H 1 8.48 0.02 . 1 . . . . . . . . 4967 1 85 . 1 1 24 24 LEU CA C 13 52.92 0.1 . 1 . . . . . . . . 4967 1 86 . 1 1 24 24 LEU CB C 13 43.44 0.1 . 1 . . . . . . . . 4967 1 87 . 1 1 24 24 LEU N N 15 118.39 0.2 . 1 . . . . . . . . 4967 1 88 . 1 1 25 25 ILE H H 1 8.71 0.02 . 1 . . . . . . . . 4967 1 89 . 1 1 25 25 ILE CA C 13 63.64 0.1 . 1 . . . . . . . . 4967 1 90 . 1 1 25 25 ILE CB C 13 38.90 0.1 . 1 . . . . . . . . 4967 1 91 . 1 1 25 25 ILE N N 15 121.83 0.2 . 1 . . . . . . . . 4967 1 92 . 1 1 26 26 ASP H H 1 9.09 0.02 . 1 . . . . . . . . 4967 1 93 . 1 1 26 26 ASP CA C 13 52.42 0.1 . 1 . . . . . . . . 4967 1 94 . 1 1 26 26 ASP CB C 13 41.10 0.1 . 1 . . . . . . . . 4967 1 95 . 1 1 26 26 ASP N N 15 127.89 0.2 . 1 . . . . . . . . 4967 1 96 . 1 1 27 27 THR H H 1 8.54 0.02 . 1 . . . . . . . . 4967 1 97 . 1 1 27 27 THR CA C 13 63.74 0.1 . 1 . . . . . . . . 4967 1 98 . 1 1 27 27 THR CB C 13 68.27 0.1 . 1 . . . . . . . . 4967 1 99 . 1 1 27 27 THR N N 15 112.76 0.2 . 1 . . . . . . . . 4967 1 100 . 1 1 28 28 GLY H H 1 8.48 0.02 . 1 . . . . . . . . 4967 1 101 . 1 1 28 28 GLY CA C 13 45.09 0.1 . 1 . . . . . . . . 4967 1 102 . 1 1 28 28 GLY N N 15 107.85 0.2 . 1 . . . . . . . . 4967 1 103 . 1 1 29 29 ALA H H 1 7.59 0.02 . 1 . . . . . . . . 4967 1 104 . 1 1 29 29 ALA CA C 13 50.66 0.1 . 1 . . . . . . . . 4967 1 105 . 1 1 29 29 ALA CB C 13 19.11 0.1 . 1 . . . . . . . . 4967 1 106 . 1 1 29 29 ALA N N 15 124.83 0.2 . 1 . . . . . . . . 4967 1 107 . 1 1 30 30 ASP H H 1 8.98 0.02 . 1 . . . . . . . . 4967 1 108 . 1 1 30 30 ASP CA C 13 57.08 0.1 . 1 . . . . . . . . 4967 1 109 . 1 1 30 30 ASP CB C 13 41.62 0.1 . 1 . . . . . . . . 4967 1 110 . 1 1 30 30 ASP N N 15 122.53 0.2 . 1 . . . . . . . . 4967 1 111 . 1 1 31 31 VAL H H 1 7.51 0.02 . 1 . . . . . . . . 4967 1 112 . 1 1 31 31 VAL CA C 13 58.96 0.1 . 1 . . . . . . . . 4967 1 113 . 1 1 31 31 VAL CB C 13 35.60 0.1 . 1 . . . . . . . . 4967 1 114 . 1 1 31 31 VAL N N 15 111.53 0.2 . 1 . . . . . . . . 4967 1 115 . 1 1 32 32 THR H H 1 9.07 0.02 . 1 . . . . . . . . 4967 1 116 . 1 1 32 32 THR CA C 13 64.52 0.1 . 1 . . . . . . . . 4967 1 117 . 1 1 32 32 THR CB C 13 70.45 0.1 . 1 . . . . . . . . 4967 1 118 . 1 1 32 32 THR N N 15 123.60 0.2 . 1 . . . . . . . . 4967 1 119 . 1 1 33 33 ILE H H 1 8.95 0.02 . 1 . . . . . . . . 4967 1 120 . 1 1 33 33 ILE CA C 13 59.67 0.1 . 1 . . . . . . . . 4967 1 121 . 1 1 33 33 ILE CB C 13 41.58 0.1 . 1 . . . . . . . . 4967 1 122 . 1 1 33 33 ILE N N 15 125.09 0.2 . 1 . . . . . . . . 4967 1 123 . 1 1 34 34 ILE H H 1 9.00 0.02 . 1 . . . . . . . . 4967 1 124 . 1 1 34 34 ILE CA C 13 56.37 0.1 . 1 . . . . . . . . 4967 1 125 . 1 1 34 34 ILE CB C 13 39.12 0.1 . 1 . . . . . . . . 4967 1 126 . 1 1 34 34 ILE N N 15 125.92 0.2 . 1 . . . . . . . . 4967 1 127 . 1 1 35 35 LYS H H 1 9.27 0.02 . 1 . . . . . . . . 4967 1 128 . 1 1 35 35 LYS CA C 13 55.47 0.1 . 1 . . . . . . . . 4967 1 129 . 1 1 35 35 LYS CB C 13 33.59 0.1 . 1 . . . . . . . . 4967 1 130 . 1 1 35 35 LYS N N 15 124.89 0.2 . 1 . . . . . . . . 4967 1 131 . 1 1 36 36 LEU H H 1 7.91 0.02 . 1 . . . . . . . . 4967 1 132 . 1 1 36 36 LEU CA C 13 57.71 0.1 . 1 . . . . . . . . 4967 1 133 . 1 1 36 36 LEU CB C 13 42.53 0.1 . 1 . . . . . . . . 4967 1 134 . 1 1 36 36 LEU N N 15 126.03 0.2 . 1 . . . . . . . . 4967 1 135 . 1 1 37 37 GLU H H 1 9.61 0.02 . 1 . . . . . . . . 4967 1 136 . 1 1 37 37 GLU CA C 13 59.80 0.1 . 1 . . . . . . . . 4967 1 137 . 1 1 37 37 GLU CB C 13 28.96 0.1 . 1 . . . . . . . . 4967 1 138 . 1 1 37 37 GLU N N 15 115.64 0.2 . 1 . . . . . . . . 4967 1 139 . 1 1 38 38 ASP H H 1 7.80 0.02 . 1 . . . . . . . . 4967 1 140 . 1 1 38 38 ASP CA C 13 53.88 0.1 . 1 . . . . . . . . 4967 1 141 . 1 1 38 38 ASP CB C 13 41.98 0.1 . 1 . . . . . . . . 4967 1 142 . 1 1 38 38 ASP N N 15 117.65 0.2 . 1 . . . . . . . . 4967 1 143 . 1 1 39 39 TRP H H 1 7.96 0.02 . 1 . . . . . . . . 4967 1 144 . 1 1 39 39 TRP CA C 13 54.63 0.1 . 1 . . . . . . . . 4967 1 145 . 1 1 39 39 TRP CB C 13 30.44 0.1 . 1 . . . . . . . . 4967 1 146 . 1 1 39 39 TRP N N 15 124.74 0.2 . 1 . . . . . . . . 4967 1 147 . 1 1 41 41 PRO CA C 13 64.49 0.1 . 1 . . . . . . . . 4967 1 148 . 1 1 41 41 PRO CB C 13 31.87 0.1 . 1 . . . . . . . . 4967 1 149 . 1 1 42 42 ASN H H 1 8.35 0.02 . 1 . . . . . . . . 4967 1 150 . 1 1 42 42 ASN CA C 13 52.92 0.1 . 1 . . . . . . . . 4967 1 151 . 1 1 42 42 ASN CB C 13 37.11 0.1 . 1 . . . . . . . . 4967 1 152 . 1 1 42 42 ASN N N 15 111.33 0.2 . 1 . . . . . . . . 4967 1 153 . 1 1 43 43 TRP H H 1 8.11 0.02 . 1 . . . . . . . . 4967 1 154 . 1 1 43 43 TRP CA C 13 52.80 0.1 . 1 . . . . . . . . 4967 1 155 . 1 1 43 43 TRP CB C 13 28.23 0.1 . 1 . . . . . . . . 4967 1 156 . 1 1 43 43 TRP N N 15 124.58 0.2 . 1 . . . . . . . . 4967 1 157 . 1 1 44 44 PRO CA C 13 63.77 0.1 . 1 . . . . . . . . 4967 1 158 . 1 1 44 44 PRO CB C 13 32.27 0.1 . 1 . . . . . . . . 4967 1 159 . 1 1 45 45 ILE H H 1 8.56 0.02 . 1 . . . . . . . . 4967 1 160 . 1 1 45 45 ILE CA C 13 59.51 0.1 . 1 . . . . . . . . 4967 1 161 . 1 1 45 45 ILE CB C 13 42.89 0.1 . 1 . . . . . . . . 4967 1 162 . 1 1 45 45 ILE N N 15 116.99 0.2 . 1 . . . . . . . . 4967 1 163 . 1 1 46 46 THR H H 1 8.96 0.02 . 1 . . . . . . . . 4967 1 164 . 1 1 46 46 THR CA C 13 59.50 0.1 . 1 . . . . . . . . 4967 1 165 . 1 1 46 46 THR CB C 13 71.78 0.1 . 1 . . . . . . . . 4967 1 166 . 1 1 46 46 THR N N 15 114.93 0.2 . 1 . . . . . . . . 4967 1 167 . 1 1 47 47 ASP H H 1 8.30 0.02 . 1 . . . . . . . . 4967 1 168 . 1 1 47 47 ASP CA C 13 55.14 0.1 . 1 . . . . . . . . 4967 1 169 . 1 1 47 47 ASP CB C 13 41.52 0.1 . 1 . . . . . . . . 4967 1 170 . 1 1 47 47 ASP N N 15 123.01 0.2 . 1 . . . . . . . . 4967 1 171 . 1 1 48 48 THR H H 1 8.24 0.02 . 1 . . . . . . . . 4967 1 172 . 1 1 48 48 THR CA C 13 61.39 0.1 . 1 . . . . . . . . 4967 1 173 . 1 1 48 48 THR CB C 13 70.48 0.1 . 1 . . . . . . . . 4967 1 174 . 1 1 48 48 THR N N 15 113.64 0.2 . 1 . . . . . . . . 4967 1 175 . 1 1 49 49 LEU H H 1 8.46 0.02 . 1 . . . . . . . . 4967 1 176 . 1 1 49 49 LEU CA C 13 54.67 0.1 . 1 . . . . . . . . 4967 1 177 . 1 1 49 49 LEU CB C 13 42.09 0.1 . 1 . . . . . . . . 4967 1 178 . 1 1 49 49 LEU N N 15 123.21 0.2 . 1 . . . . . . . . 4967 1 179 . 1 1 50 50 THR H H 1 8.05 0.02 . 1 . . . . . . . . 4967 1 180 . 1 1 50 50 THR CA C 13 61.93 0.1 . 1 . . . . . . . . 4967 1 181 . 1 1 50 50 THR CB C 13 69.73 0.1 . 1 . . . . . . . . 4967 1 182 . 1 1 50 50 THR N N 15 115.46 0.2 . 1 . . . . . . . . 4967 1 183 . 1 1 51 51 ASN H H 1 8.47 0.02 . 1 . . . . . . . . 4967 1 184 . 1 1 51 51 ASN CA C 13 52.89 0.1 . 1 . . . . . . . . 4967 1 185 . 1 1 51 51 ASN CB C 13 39.10 0.1 . 1 . . . . . . . . 4967 1 186 . 1 1 51 51 ASN N N 15 121.11 0.2 . 1 . . . . . . . . 4967 1 187 . 1 1 52 52 LEU H H 1 8.34 0.02 . 1 . . . . . . . . 4967 1 188 . 1 1 52 52 LEU CA C 13 54.59 0.1 . 1 . . . . . . . . 4967 1 189 . 1 1 52 52 LEU CB C 13 42.58 0.1 . 1 . . . . . . . . 4967 1 190 . 1 1 52 52 LEU N N 15 123.13 0.2 . 1 . . . . . . . . 4967 1 191 . 1 1 53 53 ARG H H 1 8.43 0.02 . 1 . . . . . . . . 4967 1 192 . 1 1 53 53 ARG CA C 13 56.54 0.1 . 1 . . . . . . . . 4967 1 193 . 1 1 53 53 ARG CB C 13 30.61 0.1 . 1 . . . . . . . . 4967 1 194 . 1 1 53 53 ARG N N 15 121.44 0.2 . 1 . . . . . . . . 4967 1 195 . 1 1 54 54 GLY H H 1 8.54 0.02 . 1 . . . . . . . . 4967 1 196 . 1 1 54 54 GLY CA C 13 45.60 0.1 . 1 . . . . . . . . 4967 1 197 . 1 1 54 54 GLY N N 15 109.30 0.2 . 1 . . . . . . . . 4967 1 198 . 1 1 55 55 ILE H H 1 7.81 0.02 . 1 . . . . . . . . 4967 1 199 . 1 1 55 55 ILE CA C 13 60.93 0.1 . 1 . . . . . . . . 4967 1 200 . 1 1 55 55 ILE CB C 13 38.60 0.1 . 1 . . . . . . . . 4967 1 201 . 1 1 55 55 ILE N N 15 118.50 0.2 . 1 . . . . . . . . 4967 1 202 . 1 1 56 56 GLY H H 1 8.46 0.02 . 1 . . . . . . . . 4967 1 203 . 1 1 56 56 GLY CA C 13 45.66 0.1 . 1 . . . . . . . . 4967 1 204 . 1 1 56 56 GLY N N 15 111.30 0.2 . 1 . . . . . . . . 4967 1 205 . 1 1 57 57 GLN H H 1 8.22 0.02 . 1 . . . . . . . . 4967 1 206 . 1 1 57 57 GLN CA C 13 56.33 0.1 . 1 . . . . . . . . 4967 1 207 . 1 1 57 57 GLN CB C 13 29.12 0.1 . 1 . . . . . . . . 4967 1 208 . 1 1 57 57 GLN N N 15 118.90 0.2 . 1 . . . . . . . . 4967 1 209 . 1 1 58 58 SER H H 1 8.29 0.02 . 1 . . . . . . . . 4967 1 210 . 1 1 58 58 SER CA C 13 58.65 0.1 . 1 . . . . . . . . 4967 1 211 . 1 1 58 58 SER CB C 13 63.89 0.1 . 1 . . . . . . . . 4967 1 212 . 1 1 58 58 SER N N 15 115.30 0.2 . 1 . . . . . . . . 4967 1 213 . 1 1 59 59 ASN H H 1 8.34 0.02 . 1 . . . . . . . . 4967 1 214 . 1 1 59 59 ASN CA C 13 53.02 0.1 . 1 . . . . . . . . 4967 1 215 . 1 1 59 59 ASN CB C 13 39.39 0.1 . 1 . . . . . . . . 4967 1 216 . 1 1 59 59 ASN N N 15 119.60 0.2 . 1 . . . . . . . . 4967 1 217 . 1 1 60 60 ASN H H 1 8.53 0.02 . 1 . . . . . . . . 4967 1 218 . 1 1 60 60 ASN CA C 13 52.59 0.1 . 1 . . . . . . . . 4967 1 219 . 1 1 60 60 ASN CB C 13 38.90 0.1 . 1 . . . . . . . . 4967 1 220 . 1 1 60 60 ASN N N 15 117.90 0.2 . 1 . . . . . . . . 4967 1 221 . 1 1 61 61 PRO CA C 13 63.34 0.1 . 1 . . . . . . . . 4967 1 222 . 1 1 61 61 PRO CB C 13 32.42 0.1 . 1 . . . . . . . . 4967 1 223 . 1 1 62 62 LYS H H 1 7.94 0.02 . 1 . . . . . . . . 4967 1 224 . 1 1 62 62 LYS CA C 13 54.71 0.1 . 1 . . . . . . . . 4967 1 225 . 1 1 62 62 LYS CB C 13 35.36 0.1 . 1 . . . . . . . . 4967 1 226 . 1 1 62 62 LYS N N 15 118.60 0.2 . 1 . . . . . . . . 4967 1 227 . 1 1 63 63 GLN H H 1 8.93 0.02 . 1 . . . . . . . . 4967 1 228 . 1 1 63 63 GLN CA C 13 54.03 0.1 . 1 . . . . . . . . 4967 1 229 . 1 1 63 63 GLN CB C 13 32.60 0.1 . 1 . . . . . . . . 4967 1 230 . 1 1 63 63 GLN N N 15 118.60 0.2 . 1 . . . . . . . . 4967 1 231 . 1 1 64 64 SER H H 1 8.14 0.02 . 1 . . . . . . . . 4967 1 232 . 1 1 64 64 SER CA C 13 59.19 0.1 . 1 . . . . . . . . 4967 1 233 . 1 1 64 64 SER CB C 13 64.26 0.1 . 1 . . . . . . . . 4967 1 234 . 1 1 64 64 SER N N 15 116.10 0.2 . 1 . . . . . . . . 4967 1 235 . 1 1 65 65 SER H H 1 8.74 0.02 . 1 . . . . . . . . 4967 1 236 . 1 1 65 65 SER CA C 13 61.24 0.1 . 1 . . . . . . . . 4967 1 237 . 1 1 65 65 SER CB C 13 63.73 0.1 . 1 . . . . . . . . 4967 1 238 . 1 1 65 65 SER N N 15 123.50 0.2 . 1 . . . . . . . . 4967 1 239 . 1 1 66 66 LYS H H 1 7.56 0.02 . 1 . . . . . . . . 4967 1 240 . 1 1 66 66 LYS CA C 13 53.75 0.1 . 1 . . . . . . . . 4967 1 241 . 1 1 66 66 LYS CB C 13 35.39 0.1 . 1 . . . . . . . . 4967 1 242 . 1 1 66 66 LYS N N 15 115.60 0.2 . 1 . . . . . . . . 4967 1 243 . 1 1 67 67 TYR H H 1 8.87 0.02 . 1 . . . . . . . . 4967 1 244 . 1 1 67 67 TYR CA C 13 60.58 0.1 . 1 . . . . . . . . 4967 1 245 . 1 1 67 67 TYR CB C 13 39.15 0.1 . 1 . . . . . . . . 4967 1 246 . 1 1 67 67 TYR N N 15 120.10 0.2 . 1 . . . . . . . . 4967 1 247 . 1 1 68 68 LEU H H 1 9.57 0.02 . 1 . . . . . . . . 4967 1 248 . 1 1 68 68 LEU CA C 13 52.73 0.1 . 1 . . . . . . . . 4967 1 249 . 1 1 68 68 LEU CB C 13 43.80 0.1 . 1 . . . . . . . . 4967 1 250 . 1 1 68 68 LEU N N 15 123.40 0.2 . 1 . . . . . . . . 4967 1 251 . 1 1 69 69 THR H H 1 8.72 0.02 . 1 . . . . . . . . 4967 1 252 . 1 1 69 69 THR CA C 13 61.59 0.1 . 1 . . . . . . . . 4967 1 253 . 1 1 69 69 THR CB C 13 69.94 0.1 . 1 . . . . . . . . 4967 1 254 . 1 1 69 69 THR N N 15 118.20 0.2 . 1 . . . . . . . . 4967 1 255 . 1 1 70 70 TRP H H 1 8.83 0.02 . 1 . . . . . . . . 4967 1 256 . 1 1 70 70 TRP CA C 13 53.59 0.1 . 1 . . . . . . . . 4967 1 257 . 1 1 70 70 TRP CB C 13 32.34 0.1 . 1 . . . . . . . . 4967 1 258 . 1 1 70 70 TRP N N 15 127.40 0.2 . 1 . . . . . . . . 4967 1 259 . 1 1 71 71 ARG H H 1 9.26 0.02 . 1 . . . . . . . . 4967 1 260 . 1 1 71 71 ARG CA C 13 55.49 0.1 . 1 . . . . . . . . 4967 1 261 . 1 1 71 71 ARG CB C 13 34.62 0.1 . 1 . . . . . . . . 4967 1 262 . 1 1 71 71 ARG N N 15 118.60 0.2 . 1 . . . . . . . . 4967 1 263 . 1 1 72 72 ASP H H 1 8.44 0.02 . 1 . . . . . . . . 4967 1 264 . 1 1 72 72 ASP CA C 13 51.91 0.1 . 1 . . . . . . . . 4967 1 265 . 1 1 72 72 ASP CB C 13 43.79 0.1 . 1 . . . . . . . . 4967 1 266 . 1 1 72 72 ASP N N 15 122.10 0.2 . 1 . . . . . . . . 4967 1 267 . 1 1 73 73 LYS H H 1 8.99 0.02 . 1 . . . . . . . . 4967 1 268 . 1 1 73 73 LYS CA C 13 58.69 0.1 . 1 . . . . . . . . 4967 1 269 . 1 1 73 73 LYS CB C 13 32.38 0.1 . 1 . . . . . . . . 4967 1 270 . 1 1 73 73 LYS N N 15 117.60 0.2 . 1 . . . . . . . . 4967 1 271 . 1 1 74 74 GLU H H 1 8.21 0.02 . 1 . . . . . . . . 4967 1 272 . 1 1 74 74 GLU CA C 13 55.85 0.1 . 1 . . . . . . . . 4967 1 273 . 1 1 74 74 GLU CB C 13 28.81 0.1 . 1 . . . . . . . . 4967 1 274 . 1 1 74 74 GLU N N 15 118.40 0.2 . 1 . . . . . . . . 4967 1 275 . 1 1 75 75 ASN H H 1 8.27 0.02 . 1 . . . . . . . . 4967 1 276 . 1 1 75 75 ASN CA C 13 55.26 0.1 . 1 . . . . . . . . 4967 1 277 . 1 1 75 75 ASN CB C 13 37.35 0.1 . 1 . . . . . . . . 4967 1 278 . 1 1 75 75 ASN N N 15 112.70 0.2 . 1 . . . . . . . . 4967 1 279 . 1 1 76 76 ASN H H 1 9.07 0.02 . 1 . . . . . . . . 4967 1 280 . 1 1 76 76 ASN CA C 13 54.34 0.1 . 1 . . . . . . . . 4967 1 281 . 1 1 76 76 ASN CB C 13 38.78 0.1 . 1 . . . . . . . . 4967 1 282 . 1 1 76 76 ASN N N 15 119.00 0.2 . 1 . . . . . . . . 4967 1 283 . 1 1 77 77 SER H H 1 7.86 0.02 . 1 . . . . . . . . 4967 1 284 . 1 1 77 77 SER CA C 13 56.13 0.1 . 1 . . . . . . . . 4967 1 285 . 1 1 77 77 SER CB C 13 67.75 0.1 . 1 . . . . . . . . 4967 1 286 . 1 1 77 77 SER N N 15 112.10 0.2 . 1 . . . . . . . . 4967 1 287 . 1 1 78 78 GLY H H 1 6.43 0.02 . 1 . . . . . . . . 4967 1 288 . 1 1 78 78 GLY CA C 13 45.59 0.1 . 1 . . . . . . . . 4967 1 289 . 1 1 78 78 GLY N N 15 106.50 0.2 . 1 . . . . . . . . 4967 1 290 . 1 1 79 79 LEU H H 1 8.31 0.02 . 1 . . . . . . . . 4967 1 291 . 1 1 79 79 LEU CA C 13 53.96 0.1 . 1 . . . . . . . . 4967 1 292 . 1 1 79 79 LEU CB C 13 46.57 0.1 . 1 . . . . . . . . 4967 1 293 . 1 1 79 79 LEU N N 15 120.30 0.2 . 1 . . . . . . . . 4967 1 294 . 1 1 80 80 ILE H H 1 9.58 0.02 . 1 . . . . . . . . 4967 1 295 . 1 1 80 80 ILE CA C 13 59.33 0.1 . 1 . . . . . . . . 4967 1 296 . 1 1 80 80 ILE CB C 13 44.17 0.1 . 1 . . . . . . . . 4967 1 297 . 1 1 80 80 ILE N N 15 117.00 0.2 . 1 . . . . . . . . 4967 1 298 . 1 1 81 81 LYS H H 1 9.47 0.02 . 1 . . . . . . . . 4967 1 299 . 1 1 81 81 LYS CA C 13 53.39 0.1 . 1 . . . . . . . . 4967 1 300 . 1 1 81 81 LYS CB C 13 33.61 0.1 . 1 . . . . . . . . 4967 1 301 . 1 1 81 81 LYS N N 15 127.70 0.2 . 1 . . . . . . . . 4967 1 302 . 1 1 82 82 PRO CA C 13 63.29 0.1 . 1 . . . . . . . . 4967 1 303 . 1 1 82 82 PRO CB C 13 33.77 0.1 . 1 . . . . . . . . 4967 1 304 . 1 1 83 83 PHE H H 1 8.72 0.02 . 1 . . . . . . . . 4967 1 305 . 1 1 83 83 PHE CA C 13 58.18 0.1 . 1 . . . . . . . . 4967 1 306 . 1 1 83 83 PHE CB C 13 40.98 0.1 . 1 . . . . . . . . 4967 1 307 . 1 1 83 83 PHE N N 15 118.20 0.2 . 1 . . . . . . . . 4967 1 308 . 1 1 84 84 VAL H H 1 8.37 0.02 . 1 . . . . . . . . 4967 1 309 . 1 1 84 84 VAL CA C 13 61.22 0.1 . 1 . . . . . . . . 4967 1 310 . 1 1 84 84 VAL CB C 13 34.32 0.1 . 1 . . . . . . . . 4967 1 311 . 1 1 84 84 VAL N N 15 120.40 0.2 . 1 . . . . . . . . 4967 1 312 . 1 1 85 85 ILE H H 1 8.13 0.02 . 1 . . . . . . . . 4967 1 313 . 1 1 85 85 ILE N N 15 122.80 0.2 . 1 . . . . . . . . 4967 1 314 . 1 1 86 86 PRO CA C 13 63.13 0.1 . 1 . . . . . . . . 4967 1 315 . 1 1 86 86 PRO CB C 13 32.53 0.1 . 1 . . . . . . . . 4967 1 316 . 1 1 87 87 ASN H H 1 9.65 0.02 . 1 . . . . . . . . 4967 1 317 . 1 1 87 87 ASN CA C 13 55.25 0.1 . 1 . . . . . . . . 4967 1 318 . 1 1 87 87 ASN CB C 13 37.35 0.1 . 1 . . . . . . . . 4967 1 319 . 1 1 87 87 ASN N N 15 114.20 0.2 . 1 . . . . . . . . 4967 1 320 . 1 1 88 88 LEU H H 1 7.88 0.02 . 1 . . . . . . . . 4967 1 321 . 1 1 88 88 LEU CA C 13 52.54 0.1 . 1 . . . . . . . . 4967 1 322 . 1 1 88 88 LEU CB C 13 43.51 0.1 . 1 . . . . . . . . 4967 1 323 . 1 1 88 88 LEU N N 15 121.70 0.2 . 1 . . . . . . . . 4967 1 324 . 1 1 89 89 PRO CA C 13 65.43 0.1 . 1 . . . . . . . . 4967 1 325 . 1 1 89 89 PRO CB C 13 32.31 0.1 . 1 . . . . . . . . 4967 1 326 . 1 1 90 90 VAL H H 1 7.16 0.02 . 1 . . . . . . . . 4967 1 327 . 1 1 90 90 VAL CA C 13 59.35 0.1 . 1 . . . . . . . . 4967 1 328 . 1 1 90 90 VAL CB C 13 35.79 0.1 . 1 . . . . . . . . 4967 1 329 . 1 1 90 90 VAL N N 15 111.40 0.2 . 1 . . . . . . . . 4967 1 330 . 1 1 91 91 ASN H H 1 7.88 0.02 . 1 . . . . . . . . 4967 1 331 . 1 1 91 91 ASN CA C 13 54.01 0.1 . 1 . . . . . . . . 4967 1 332 . 1 1 91 91 ASN CB C 13 37.88 0.1 . 1 . . . . . . . . 4967 1 333 . 1 1 91 91 ASN N N 15 118.50 0.2 . 1 . . . . . . . . 4967 1 334 . 1 1 92 92 LEU H H 1 8.89 0.02 . 1 . . . . . . . . 4967 1 335 . 1 1 92 92 LEU CA C 13 53.02 0.1 . 1 . . . . . . . . 4967 1 336 . 1 1 92 92 LEU CB C 13 45.23 0.1 . 1 . . . . . . . . 4967 1 337 . 1 1 92 92 LEU N N 15 121.50 0.2 . 1 . . . . . . . . 4967 1 338 . 1 1 93 93 TRP H H 1 8.79 0.02 . 1 . . . . . . . . 4967 1 339 . 1 1 93 93 TRP CA C 13 54.50 0.1 . 1 . . . . . . . . 4967 1 340 . 1 1 93 93 TRP CB C 13 30.79 0.1 . 1 . . . . . . . . 4967 1 341 . 1 1 93 93 TRP N N 15 122.80 0.2 . 1 . . . . . . . . 4967 1 342 . 1 1 94 94 GLY H H 1 8.56 0.02 . 1 . . . . . . . . 4967 1 343 . 1 1 94 94 GLY CA C 13 43.41 0.1 . 1 . . . . . . . . 4967 1 344 . 1 1 94 94 GLY N N 15 110.60 0.2 . 1 . . . . . . . . 4967 1 345 . 1 1 95 95 ARG H H 1 8.98 0.02 . 1 . . . . . . . . 4967 1 346 . 1 1 95 95 ARG CA C 13 60.22 0.1 . 1 . . . . . . . . 4967 1 347 . 1 1 95 95 ARG CB C 13 31.10 0.1 . 1 . . . . . . . . 4967 1 348 . 1 1 95 95 ARG N N 15 116.20 0.2 . 1 . . . . . . . . 4967 1 349 . 1 1 96 96 ASP H H 1 8.42 0.02 . 1 . . . . . . . . 4967 1 350 . 1 1 96 96 ASP CA C 13 56.53 0.1 . 1 . . . . . . . . 4967 1 351 . 1 1 96 96 ASP CB C 13 37.90 0.1 . 1 . . . . . . . . 4967 1 352 . 1 1 96 96 ASP N N 15 120.70 0.2 . 1 . . . . . . . . 4967 1 353 . 1 1 97 97 LEU H H 1 8.51 0.02 . 1 . . . . . . . . 4967 1 354 . 1 1 97 97 LEU CA C 13 56.69 0.1 . 1 . . . . . . . . 4967 1 355 . 1 1 97 97 LEU CB C 13 43.34 0.1 . 1 . . . . . . . . 4967 1 356 . 1 1 97 97 LEU N N 15 125.10 0.2 . 1 . . . . . . . . 4967 1 357 . 1 1 98 98 LEU H H 1 8.61 0.02 . 1 . . . . . . . . 4967 1 358 . 1 1 98 98 LEU CA C 13 57.72 0.1 . 1 . . . . . . . . 4967 1 359 . 1 1 98 98 LEU CB C 13 41.27 0.1 . 1 . . . . . . . . 4967 1 360 . 1 1 98 98 LEU N N 15 117.50 0.2 . 1 . . . . . . . . 4967 1 361 . 1 1 99 99 SER H H 1 8.65 0.02 . 1 . . . . . . . . 4967 1 362 . 1 1 99 99 SER CA C 13 61.17 0.1 . 1 . . . . . . . . 4967 1 363 . 1 1 99 99 SER CB C 13 63.22 0.1 . 1 . . . . . . . . 4967 1 364 . 1 1 99 99 SER N N 15 111.60 0.2 . 1 . . . . . . . . 4967 1 365 . 1 1 100 100 GLN H H 1 7.73 0.02 . 1 . . . . . . . . 4967 1 366 . 1 1 100 100 GLN CA C 13 56.73 0.1 . 1 . . . . . . . . 4967 1 367 . 1 1 100 100 GLN CB C 13 30.65 0.1 . 1 . . . . . . . . 4967 1 368 . 1 1 100 100 GLN N N 15 119.50 0.2 . 1 . . . . . . . . 4967 1 369 . 1 1 101 101 MET H H 1 7.64 0.02 . 1 . . . . . . . . 4967 1 370 . 1 1 101 101 MET CA C 13 56.37 0.1 . 1 . . . . . . . . 4967 1 371 . 1 1 101 101 MET CB C 13 34.45 0.1 . 1 . . . . . . . . 4967 1 372 . 1 1 101 101 MET N N 15 117.80 0.2 . 1 . . . . . . . . 4967 1 373 . 1 1 102 102 LYS H H 1 8.15 0.02 . 1 . . . . . . . . 4967 1 374 . 1 1 102 102 LYS CA C 13 56.67 0.1 . 1 . . . . . . . . 4967 1 375 . 1 1 102 102 LYS CB C 13 31.10 0.1 . 1 . . . . . . . . 4967 1 376 . 1 1 102 102 LYS N N 15 118.00 0.2 . 1 . . . . . . . . 4967 1 377 . 1 1 103 103 ILE H H 1 7.90 0.02 . 1 . . . . . . . . 4967 1 378 . 1 1 103 103 ILE CA C 13 61.26 0.1 . 1 . . . . . . . . 4967 1 379 . 1 1 103 103 ILE CB C 13 39.11 0.1 . 1 . . . . . . . . 4967 1 380 . 1 1 103 103 ILE N N 15 119.20 0.2 . 1 . . . . . . . . 4967 1 381 . 1 1 104 104 MET H H 1 8.32 0.02 . 1 . . . . . . . . 4967 1 382 . 1 1 104 104 MET CA C 13 55.29 0.1 . 1 . . . . . . . . 4967 1 383 . 1 1 104 104 MET CB C 13 32.97 0.1 . 1 . . . . . . . . 4967 1 384 . 1 1 104 104 MET N N 15 122.70 0.2 . 1 . . . . . . . . 4967 1 385 . 1 1 105 105 MET H H 1 8.33 0.02 . 1 . . . . . . . . 4967 1 386 . 1 1 105 105 MET CA C 13 55.31 0.1 . 1 . . . . . . . . 4967 1 387 . 1 1 105 105 MET CB C 13 33.24 0.1 . 1 . . . . . . . . 4967 1 388 . 1 1 105 105 MET N N 15 121.20 0.2 . 1 . . . . . . . . 4967 1 389 . 1 1 106 106 ALA H H 1 8.32 0.02 . 1 . . . . . . . . 4967 1 390 . 1 1 106 106 ALA CA C 13 52.38 0.1 . 1 . . . . . . . . 4967 1 391 . 1 1 106 106 ALA CB C 13 19.65 0.1 . 1 . . . . . . . . 4967 1 392 . 1 1 106 106 ALA N N 15 125.10 0.2 . 1 . . . . . . . . 4967 1 393 . 1 1 107 107 SER H H 1 8.00 0.02 . 1 . . . . . . . . 4967 1 394 . 1 1 107 107 SER CA C 13 59.56 0.1 . 1 . . . . . . . . 4967 1 395 . 1 1 107 107 SER CB C 13 65.11 0.1 . 1 . . . . . . . . 4967 1 stop_ save_