################################### # 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 4695 _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 . 4695 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 VAL CA C 13 59.9 0.2 . 1 . . . . . . . . 4695 1 2 . 1 1 1 1 VAL CB C 13 32.5 0.2 . 1 . . . . . . . . 4695 1 3 . 1 1 2 2 LEU H H 1 8.33 0.02 . 1 . . . . . . . . 4695 1 4 . 1 1 2 2 LEU CA C 13 54.2 0.2 . 1 . . . . . . . . 4695 1 5 . 1 1 2 2 LEU CB C 13 32.5 0.2 . 1 . . . . . . . . 4695 1 6 . 1 1 2 2 LEU N N 15 126.1 0.1 . 1 . . . . . . . . 4695 1 7 . 1 1 3 3 SER H H 1 9.13 0.02 . 1 . . . . . . . . 4695 1 8 . 1 1 3 3 SER CA C 13 55.3 0.2 . 1 . . . . . . . . 4695 1 9 . 1 1 3 3 SER CB C 13 64.3 0.2 . 1 . . . . . . . . 4695 1 10 . 1 1 3 3 SER N N 15 117.6 0.1 . 1 . . . . . . . . 4695 1 11 . 1 1 4 4 GLU H H 1 9.13 0.02 . 1 . . . . . . . . 4695 1 12 . 1 1 4 4 GLU CA C 13 57.9 0.2 . 1 . . . . . . . . 4695 1 13 . 1 1 4 4 GLU CB C 13 27.3 0.2 . 1 . . . . . . . . 4695 1 14 . 1 1 4 4 GLU N N 15 121.2 0.1 . 1 . . . . . . . . 4695 1 15 . 1 1 5 5 GLY H H 1 8.64 0.02 . 1 . . . . . . . . 4695 1 16 . 1 1 5 5 GLY CA C 13 44.9 0.2 . 1 . . . . . . . . 4695 1 17 . 1 1 5 5 GLY N N 15 106.0 0.2 . 1 . . . . . . . . 4695 1 18 . 1 1 6 6 GLU H H 1 7.80 0.02 . 1 . . . . . . . . 4695 1 19 . 1 1 6 6 GLU CA C 13 57.9 0.2 . 1 . . . . . . . . 4695 1 20 . 1 1 6 6 GLU CB C 13 27.8 0.2 . 1 . . . . . . . . 4695 1 21 . 1 1 6 6 GLU N N 15 122.7 0.1 . 1 . . . . . . . . 4695 1 22 . 1 1 7 7 TRP H H 1 8.55 0.02 . 1 . . . . . . . . 4695 1 23 . 1 1 7 7 TRP CA C 13 58.9 0.2 . 1 . . . . . . . . 4695 1 24 . 1 1 7 7 TRP CB C 13 28.3 0.2 . 1 . . . . . . . . 4695 1 25 . 1 1 7 7 TRP N N 15 118.9 0.1 . 1 . . . . . . . . 4695 1 26 . 1 1 8 8 GLN H H 1 8.53 0.02 . 1 . . . . . . . . 4695 1 27 . 1 1 8 8 GLN CA C 13 57.3 0.2 . 1 . . . . . . . . 4695 1 28 . 1 1 8 8 GLN CB C 13 25.8 0.2 . 1 . . . . . . . . 4695 1 29 . 1 1 8 8 GLN N N 15 116.9 0.1 . 1 . . . . . . . . 4695 1 30 . 1 1 9 9 LEU H H 1 7.60 0.02 . 1 . . . . . . . . 4695 1 31 . 1 1 9 9 LEU CA C 13 56.3 0.2 . 1 . . . . . . . . 4695 1 32 . 1 1 9 9 LEU CB C 13 40.8 0.2 . 1 . . . . . . . . 4695 1 33 . 1 1 9 9 LEU N N 15 120.3 0.1 . 1 . . . . . . . . 4695 1 34 . 1 1 10 10 VAL H H 1 7.98 0.02 . 1 . . . . . . . . 4695 1 35 . 1 1 10 10 VAL CA C 13 65.1 0.2 . 1 . . . . . . . . 4695 1 36 . 1 1 10 10 VAL CB C 13 29.9 0.2 . 1 . . . . . . . . 4695 1 37 . 1 1 10 10 VAL N N 15 120.2 0.1 . 1 . . . . . . . . 4695 1 38 . 1 1 11 11 LEU H H 1 8.82 0.02 . 1 . . . . . . . . 4695 1 39 . 1 1 11 11 LEU CA C 13 55.8 0.2 . 1 . . . . . . . . 4695 1 40 . 1 1 11 11 LEU CB C 13 38.2 0.2 . 1 . . . . . . . . 4695 1 41 . 1 1 11 11 LEU N N 15 118.0 0.1 . 1 . . . . . . . . 4695 1 42 . 1 1 12 12 HIS H H 1 8.61 0.02 . 1 . . . . . . . . 4695 1 43 . 1 1 12 12 HIS CA C 13 57.3 0.2 . 1 . . . . . . . . 4695 1 44 . 1 1 12 12 HIS CB C 13 27.3 0.2 . 1 . . . . . . . . 4695 1 45 . 1 1 12 12 HIS N N 15 120.9 0.1 . 1 . . . . . . . . 4695 1 46 . 1 1 13 13 VAL H H 1 7.91 0.02 . 1 . . . . . . . . 4695 1 47 . 1 1 13 13 VAL CA C 13 64.1 0.2 . 1 . . . . . . . . 4695 1 48 . 1 1 13 13 VAL CB C 13 29.4 0.2 . 1 . . . . . . . . 4695 1 49 . 1 1 13 13 VAL N N 15 118.5 0.1 . 1 . . . . . . . . 4695 1 50 . 1 1 14 14 TRP H H 1 9.02 0.02 . 1 . . . . . . . . 4695 1 51 . 1 1 14 14 TRP CA C 13 58.4 0.2 . 1 . . . . . . . . 4695 1 52 . 1 1 14 14 TRP CB C 13 26.8 0.2 . 1 . . . . . . . . 4695 1 53 . 1 1 14 14 TRP N N 15 122.2 0.1 . 1 . . . . . . . . 4695 1 54 . 1 1 15 15 ALA H H 1 7.63 0.02 . 1 . . . . . . . . 4695 1 55 . 1 1 15 15 ALA CA C 13 53.2 0.2 . 1 . . . . . . . . 4695 1 56 . 1 1 15 15 ALA CB C 13 15.9 0.2 . 1 . . . . . . . . 4695 1 57 . 1 1 15 15 ALA N N 15 118.5 0.1 . 1 . . . . . . . . 4695 1 58 . 1 1 16 16 LYS H H 1 7.14 0.02 . 1 . . . . . . . . 4695 1 59 . 1 1 16 16 LYS CA C 13 55.8 0.2 . 1 . . . . . . . . 4695 1 60 . 1 1 16 16 LYS CB C 13 28.3 0.2 . 1 . . . . . . . . 4695 1 61 . 1 1 16 16 LYS N N 15 115.2 0.1 . 1 . . . . . . . . 4695 1 62 . 1 1 17 17 VAL H H 1 6.70 0.02 . 1 . . . . . . . . 4695 1 63 . 1 1 17 17 VAL CA C 13 63.0 0.2 . 1 . . . . . . . . 4695 1 64 . 1 1 17 17 VAL CB C 13 27.3 0.2 . 1 . . . . . . . . 4695 1 65 . 1 1 17 17 VAL N N 15 121.1 0.1 . 1 . . . . . . . . 4695 1 66 . 1 1 18 18 GLU H H 1 7.39 0.02 . 1 . . . . . . . . 4695 1 67 . 1 1 18 18 GLU CA C 13 56.8 0.2 . 1 . . . . . . . . 4695 1 68 . 1 1 18 18 GLU CB C 13 27.3 0.2 . 1 . . . . . . . . 4695 1 69 . 1 1 18 18 GLU N N 15 114.4 0.1 . 1 . . . . . . . . 4695 1 70 . 1 1 19 19 ALA H H 1 6.82 0.02 . 1 . . . . . . . . 4695 1 71 . 1 1 19 19 ALA CA C 13 51.7 0.2 . 1 . . . . . . . . 4695 1 72 . 1 1 19 19 ALA CB C 13 17.0 0.2 . 1 . . . . . . . . 4695 1 73 . 1 1 19 19 ALA N N 15 119.5 0.1 . 1 . . . . . . . . 4695 1 74 . 1 1 20 20 ASP H H 1 7.53 0.02 . 1 . . . . . . . . 4695 1 75 . 1 1 20 20 ASP CA C 13 51.1 0.2 . 1 . . . . . . . . 4695 1 76 . 1 1 20 20 ASP CB C 13 38.2 0.2 . 1 . . . . . . . . 4695 1 77 . 1 1 20 20 ASP N N 15 115.4 0.1 . 1 . . . . . . . . 4695 1 78 . 1 1 21 21 VAL H H 1 8.72 0.02 . 1 . . . . . . . . 4695 1 79 . 1 1 21 21 VAL CA C 13 65.1 0.2 . 1 . . . . . . . . 4695 1 80 . 1 1 21 21 VAL CB C 13 29.4 0.2 . 1 . . . . . . . . 4695 1 81 . 1 1 21 21 VAL N N 15 129.9 0.1 . 1 . . . . . . . . 4695 1 82 . 1 1 22 22 ALA H H 1 8.51 0.02 . 1 . . . . . . . . 4695 1 83 . 1 1 22 22 ALA CA C 13 52.7 0.2 . 1 . . . . . . . . 4695 1 84 . 1 1 22 22 ALA CB C 13 16.4 0.2 . 1 . . . . . . . . 4695 1 85 . 1 1 22 22 ALA N N 15 121.8 0.1 . 1 . . . . . . . . 4695 1 86 . 1 1 23 23 GLY H H 1 8.03 0.02 . 1 . . . . . . . . 4695 1 87 . 1 1 23 23 GLY CA C 13 45.4 0.2 . 1 . . . . . . . . 4695 1 88 . 1 1 23 23 GLY N N 15 105.6 0.1 . 1 . . . . . . . . 4695 1 89 . 1 1 24 24 HIS H H 1 7.53 0.02 . 1 . . . . . . . . 4695 1 90 . 1 1 24 24 HIS CA C 13 60.5 0.2 . 1 . . . . . . . . 4695 1 91 . 1 1 24 24 HIS CB C 13 26.3 0.2 . 1 . . . . . . . . 4695 1 92 . 1 1 24 24 HIS N N 15 116.0 0.1 . 1 . . . . . . . . 4695 1 93 . 1 1 25 25 GLY H H 1 8.65 0.02 . 1 . . . . . . . . 4695 1 94 . 1 1 25 25 GLY CA C 13 46.0 0.2 . 1 . . . . . . . . 4695 1 95 . 1 1 25 25 GLY N N 15 107.7 0.1 . 1 . . . . . . . . 4695 1 96 . 1 1 26 26 GLN H H 1 7.76 0.02 . 1 . . . . . . . . 4695 1 97 . 1 1 26 26 GLN CA C 13 57.3 0.2 . 1 . . . . . . . . 4695 1 98 . 1 1 26 26 GLN CB C 13 27.8 0.2 . 1 . . . . . . . . 4695 1 99 . 1 1 26 26 GLN N N 15 119.8 0.1 . 1 . . . . . . . . 4695 1 100 . 1 1 27 27 ASP H H 1 7.43 0.02 . 1 . . . . . . . . 4695 1 101 . 1 1 27 27 ASP CA C 13 55.3 0.2 . 1 . . . . . . . . 4695 1 102 . 1 1 27 27 ASP CB C 13 38.7 0.2 . 1 . . . . . . . . 4695 1 103 . 1 1 27 27 ASP N N 15 116.7 0.1 . 1 . . . . . . . . 4695 1 104 . 1 1 28 28 ILE H H 1 8.15 0.02 . 1 . . . . . . . . 4695 1 105 . 1 1 28 28 ILE CA C 13 64.1 0.2 . 1 . . . . . . . . 4695 1 106 . 1 1 28 28 ILE CB C 13 36.1 0.2 . 1 . . . . . . . . 4695 1 107 . 1 1 28 28 ILE N N 15 120.0 0.1 . 1 . . . . . . . . 4695 1 108 . 1 1 29 29 LEU H H 1 7.28 0.02 . 1 . . . . . . . . 4695 1 109 . 1 1 29 29 LEU CA C 13 55.3 0.2 . 1 . . . . . . . . 4695 1 110 . 1 1 29 29 LEU CB C 13 37.7 0.2 . 1 . . . . . . . . 4695 1 111 . 1 1 29 29 LEU N N 15 118.6 0.1 . 1 . . . . . . . . 4695 1 112 . 1 1 30 30 ILE H H 1 7.88 0.02 . 1 . . . . . . . . 4695 1 113 . 1 1 30 30 ILE CA C 13 64.6 0.2 . 1 . . . . . . . . 4695 1 114 . 1 1 30 30 ILE CB C 13 35.1 0.2 . 1 . . . . . . . . 4695 1 115 . 1 1 30 30 ILE N N 15 115.7 0.1 . 1 . . . . . . . . 4695 1 116 . 1 1 31 31 ARG H H 1 7.62 0.02 . 1 . . . . . . . . 4695 1 117 . 1 1 31 31 ARG CA C 13 56.3 0.2 . 1 . . . . . . . . 4695 1 118 . 1 1 31 31 ARG CB C 13 26.8 0.2 . 1 . . . . . . . . 4695 1 119 . 1 1 31 31 ARG N N 15 117.9 0.1 . 1 . . . . . . . . 4695 1 120 . 1 1 32 32 LEU H H 1 7.95 0.02 . 1 . . . . . . . . 4695 1 121 . 1 1 32 32 LEU CA C 13 56.8 0.2 . 1 . . . . . . . . 4695 1 122 . 1 1 32 32 LEU CB C 13 39.7 0.2 . 1 . . . . . . . . 4695 1 123 . 1 1 32 32 LEU N N 15 122.7 0.1 . 1 . . . . . . . . 4695 1 124 . 1 1 33 33 PHE H H 1 7.98 0.02 . 1 . . . . . . . . 4695 1 125 . 1 1 33 33 PHE CA C 13 54.2 0.2 . 1 . . . . . . . . 4695 1 126 . 1 1 33 33 PHE CB C 13 35.6 0.2 . 1 . . . . . . . . 4695 1 127 . 1 1 33 33 PHE N N 15 116.2 0.1 . 1 . . . . . . . . 4695 1 128 . 1 1 34 34 LYS H H 1 8.53 0.02 . 1 . . . . . . . . 4695 1 129 . 1 1 34 34 LYS CA C 13 56.3 0.2 . 1 . . . . . . . . 4695 1 130 . 1 1 34 34 LYS CB C 13 30.9 0.2 . 1 . . . . . . . . 4695 1 131 . 1 1 34 34 LYS N N 15 116.7 0.1 . 1 . . . . . . . . 4695 1 132 . 1 1 35 35 SER H H 1 8.16 0.02 . 1 . . . . . . . . 4695 1 133 . 1 1 35 35 SER CA C 13 62.0 0.2 . 1 . . . . . . . . 4695 1 134 . 1 1 35 35 SER CB C 13 58.9 0.2 . 1 . . . . . . . . 4695 1 135 . 1 1 35 35 SER N N 15 113.0 0.1 . 1 . . . . . . . . 4695 1 136 . 1 1 36 36 HIS H H 1 8.02 0.02 . 1 . . . . . . . . 4695 1 137 . 1 1 36 36 HIS N N 15 117.0 0.1 . 1 . . . . . . . . 4695 1 138 . 1 1 37 37 PRO CA C 13 64.5 0.2 . 1 . . . . . . . . 4695 1 139 . 1 1 37 37 PRO CB C 13 30.2 0.2 . 1 . . . . . . . . 4695 1 140 . 1 1 38 38 GLU H H 1 11.02 0.02 . 1 . . . . . . . . 4695 1 141 . 1 1 38 38 GLU CA C 13 56.8 0.2 . 1 . . . . . . . . 4695 1 142 . 1 1 38 38 GLU CB C 13 25.8 0.2 . 1 . . . . . . . . 4695 1 143 . 1 1 38 38 GLU N N 15 121.7 0.1 . 1 . . . . . . . . 4695 1 144 . 1 1 39 39 THR H H 1 8.74 0.02 . 1 . . . . . . . . 4695 1 145 . 1 1 39 39 THR CA C 13 63.6 0.2 . 1 . . . . . . . . 4695 1 146 . 1 1 39 39 THR CB C 13 68.2 0.2 . 1 . . . . . . . . 4695 1 147 . 1 1 39 39 THR N N 15 113.3 0.1 . 1 . . . . . . . . 4695 1 148 . 1 1 40 40 LEU H H 1 7.28 0.02 . 1 . . . . . . . . 4695 1 149 . 1 1 40 40 LEU CA C 13 55.3 0.2 . 1 . . . . . . . . 4695 1 150 . 1 1 40 40 LEU CB C 13 39.7 0.2 . 1 . . . . . . . . 4695 1 151 . 1 1 40 40 LEU N N 15 123.1 0.1 . 1 . . . . . . . . 4695 1 152 . 1 1 41 41 GLU H H 1 7.22 0.02 . 1 . . . . . . . . 4695 1 153 . 1 1 41 41 GLU CA C 13 56.3 0.2 . 1 . . . . . . . . 4695 1 154 . 1 1 41 41 GLU CB C 13 27.8 0.2 . 1 . . . . . . . . 4695 1 155 . 1 1 41 41 GLU N N 15 113.1 0.1 . 1 . . . . . . . . 4695 1 156 . 1 1 42 42 LYS H H 1 7.73 0.02 . 1 . . . . . . . . 4695 1 157 . 1 1 42 42 LYS CA C 13 53.2 0.2 . 1 . . . . . . . . 4695 1 158 . 1 1 42 42 LYS CB C 13 30.9 0.2 . 1 . . . . . . . . 4695 1 159 . 1 1 42 42 LYS N N 15 113.3 0.1 . 1 . . . . . . . . 4695 1 160 . 1 1 43 43 PHE H H 1 8.27 0.02 . 1 . . . . . . . . 4695 1 161 . 1 1 43 43 PHE CA C 13 54.2 0.2 . 1 . . . . . . . . 4695 1 162 . 1 1 43 43 PHE CB C 13 38.2 0.2 . 1 . . . . . . . . 4695 1 163 . 1 1 43 43 PHE N N 15 118.6 0.1 . 1 . . . . . . . . 4695 1 164 . 1 1 44 44 ASP H H 1 8.81 0.02 . 1 . . . . . . . . 4695 1 165 . 1 1 44 44 ASP CA C 13 56.8 0.2 . 1 . . . . . . . . 4695 1 166 . 1 1 44 44 ASP CB C 13 38.7 0.2 . 1 . . . . . . . . 4695 1 167 . 1 1 44 44 ASP N N 15 126.7 0.1 . 1 . . . . . . . . 4695 1 168 . 1 1 45 45 ARG H H 1 8.95 0.02 . 1 . . . . . . . . 4695 1 169 . 1 1 45 45 ARG CA C 13 55.8 0.2 . 1 . . . . . . . . 4695 1 170 . 1 1 45 45 ARG CB C 13 28.9 0.2 . 1 . . . . . . . . 4695 1 171 . 1 1 45 45 ARG N N 15 114.2 0.1 . 1 . . . . . . . . 4695 1 172 . 1 1 46 46 PHE H H 1 6.93 0.02 . 1 . . . . . . . . 4695 1 173 . 1 1 46 46 PHE CA C 13 53.2 0.2 . 1 . . . . . . . . 4695 1 174 . 1 1 46 46 PHE CB C 13 38.7 0.2 . 1 . . . . . . . . 4695 1 175 . 1 1 46 46 PHE N N 15 112.3 0.1 . 1 . . . . . . . . 4695 1 176 . 1 1 47 47 LYS H H 1 7.58 0.02 . 1 . . . . . . . . 4695 1 177 . 1 1 47 47 LYS CA C 13 56.8 0.2 . 1 . . . . . . . . 4695 1 178 . 1 1 47 47 LYS CB C 13 29.4 0.2 . 1 . . . . . . . . 4695 1 179 . 1 1 47 47 LYS N N 15 116.5 0.1 . 1 . . . . . . . . 4695 1 180 . 1 1 48 48 HIS H H 1 8.29 0.02 . 1 . . . . . . . . 4695 1 181 . 1 1 48 48 HIS CA C 13 54.2 0.2 . 1 . . . . . . . . 4695 1 182 . 1 1 48 48 HIS CB C 13 27.8 0.2 . 1 . . . . . . . . 4695 1 183 . 1 1 48 48 HIS N N 15 116.3 0.1 . 1 . . . . . . . . 4695 1 184 . 1 1 49 49 LEU H H 1 7.56 0.02 . 1 . . . . . . . . 4695 1 185 . 1 1 49 49 LEU CA C 13 52.2 0.2 . 1 . . . . . . . . 4695 1 186 . 1 1 49 49 LEU CB C 13 39.2 0.2 . 1 . . . . . . . . 4695 1 187 . 1 1 49 49 LEU N N 15 123.7 0.1 . 1 . . . . . . . . 4695 1 188 . 1 1 50 50 LYS H H 1 8.20 0.02 . 1 . . . . . . . . 4695 1 189 . 1 1 50 50 LYS CA C 13 55.3 0.2 . 1 . . . . . . . . 4695 1 190 . 1 1 50 50 LYS CB C 13 32.5 0.2 . 1 . . . . . . . . 4695 1 191 . 1 1 50 50 LYS N N 15 119.1 0.1 . 1 . . . . . . . . 4695 1 192 . 1 1 51 51 THR H H 1 7.52 0.02 . 1 . . . . . . . . 4695 1 193 . 1 1 51 51 THR N N 15 107.0 0.1 . 1 . . . . . . . . 4695 1 194 . 1 1 52 52 GLU CA C 13 57.9 0.2 . 1 . . . . . . . . 4695 1 195 . 1 1 52 52 GLU CB C 13 27.3 0.2 . 1 . . . . . . . . 4695 1 196 . 1 1 53 53 ALA H H 1 8.31 0.02 . 1 . . . . . . . . 4695 1 197 . 1 1 53 53 ALA CA C 13 53.7 0.2 . 1 . . . . . . . . 4695 1 198 . 1 1 53 53 ALA CB C 13 16.4 0.2 . 1 . . . . . . . . 4695 1 199 . 1 1 53 53 ALA N N 15 120.0 0.1 . 1 . . . . . . . . 4695 1 200 . 1 1 54 54 GLU H H 1 7.67 0.02 . 1 . . . . . . . . 4695 1 201 . 1 1 54 54 GLU CA C 13 57.3 0.2 . 1 . . . . . . . . 4695 1 202 . 1 1 54 54 GLU CB C 13 28.3 0.2 . 1 . . . . . . . . 4695 1 203 . 1 1 54 54 GLU N N 15 117.9 0.1 . 1 . . . . . . . . 4695 1 204 . 1 1 55 55 MET H H 1 8.30 0.02 . 1 . . . . . . . . 4695 1 205 . 1 1 55 55 MET CA C 13 58.4 0.2 . 1 . . . . . . . . 4695 1 206 . 1 1 55 55 MET CB C 13 30.9 0.2 . 1 . . . . . . . . 4695 1 207 . 1 1 55 55 MET N N 15 118.9 0.1 . 1 . . . . . . . . 4695 1 208 . 1 1 56 56 LYS H H 1 8.49 0.02 . 1 . . . . . . . . 4695 1 209 . 1 1 56 56 LYS CA C 13 56.8 0.2 . 1 . . . . . . . . 4695 1 210 . 1 1 56 56 LYS CB C 13 30.4 0.2 . 1 . . . . . . . . 4695 1 211 . 1 1 56 56 LYS N N 15 118.3 0.1 . 1 . . . . . . . . 4695 1 212 . 1 1 57 57 ALA H H 1 7.08 0.02 . 1 . . . . . . . . 4695 1 213 . 1 1 57 57 ALA CA C 13 50.1 0.2 . 1 . . . . . . . . 4695 1 214 . 1 1 57 57 ALA CB C 13 17.5 0.2 . 1 . . . . . . . . 4695 1 215 . 1 1 57 57 ALA N N 15 117.3 0.1 . 1 . . . . . . . . 4695 1 216 . 1 1 58 58 SER H H 1 6.80 0.02 . 1 . . . . . . . . 4695 1 217 . 1 1 58 58 SER CA C 13 55.8 0.2 . 1 . . . . . . . . 4695 1 218 . 1 1 58 58 SER CB C 13 60.8 0.2 . 1 . . . . . . . . 4695 1 219 . 1 1 58 58 SER N N 15 110.9 0.1 . 1 . . . . . . . . 4695 1 220 . 1 1 59 59 GLU H H 1 9.11 0.02 . 1 . . . . . . . . 4695 1 221 . 1 1 59 59 GLU CA C 13 56.8 0.2 . 1 . . . . . . . . 4695 1 222 . 1 1 59 59 GLU CB C 13 27.3 0.2 . 1 . . . . . . . . 4695 1 223 . 1 1 59 59 GLU N N 15 104.7 0.1 . 1 . . . . . . . . 4695 1 224 . 1 1 60 60 ASP H H 1 8.30 0.02 . 1 . . . . . . . . 4695 1 225 . 1 1 60 60 ASP CA C 13 55.8 0.2 . 1 . . . . . . . . 4695 1 226 . 1 1 60 60 ASP CB C 13 39.2 0.2 . 1 . . . . . . . . 4695 1 227 . 1 1 60 60 ASP N N 15 118.9 0.1 . 1 . . . . . . . . 4695 1 228 . 1 1 61 61 LEU H H 1 8.13 0.02 . 1 . . . . . . . . 4695 1 229 . 1 1 61 61 LEU CA C 13 55.8 0.2 . 1 . . . . . . . . 4695 1 230 . 1 1 61 61 LEU CB C 13 38.7 0.2 . 1 . . . . . . . . 4695 1 231 . 1 1 61 61 LEU N N 15 122.0 0.1 . 1 . . . . . . . . 4695 1 232 . 1 1 62 62 LYS H H 1 7.17 0.02 . 1 . . . . . . . . 4695 1 233 . 1 1 62 62 LYS CA C 13 57.9 0.2 . 1 . . . . . . . . 4695 1 234 . 1 1 62 62 LYS CB C 13 30.4 0.2 . 1 . . . . . . . . 4695 1 235 . 1 1 62 62 LYS N N 15 119.1 0.1 . 1 . . . . . . . . 4695 1 236 . 1 1 63 63 LYS H H 1 8.10 0.02 . 1 . . . . . . . . 4695 1 237 . 1 1 63 63 LYS CA C 13 57.9 0.2 . 1 . . . . . . . . 4695 1 238 . 1 1 63 63 LYS CB C 13 30.9 0.2 . 1 . . . . . . . . 4695 1 239 . 1 1 63 63 LYS N N 15 117.6 0.1 . 1 . . . . . . . . 4695 1 240 . 1 1 64 64 PHE H H 1 8.10 0.02 . 1 . . . . . . . . 4695 1 241 . 1 1 64 64 PHE CA C 13 59.4 0.2 . 1 . . . . . . . . 4695 1 242 . 1 1 64 64 PHE CB C 13 37.7 0.2 . 1 . . . . . . . . 4695 1 243 . 1 1 64 64 PHE N N 15 121.1 0.1 . 1 . . . . . . . . 4695 1 244 . 1 1 65 65 GLY H H 1 8.23 0.02 . 1 . . . . . . . . 4695 1 245 . 1 1 65 65 GLY CA C 13 45.4 0.2 . 1 . . . . . . . . 4695 1 246 . 1 1 65 65 GLY N N 15 106.2 0.2 . 1 . . . . . . . . 4695 1 247 . 1 1 66 66 VAL H H 1 7.10 0.02 . 1 . . . . . . . . 4695 1 248 . 1 1 66 66 VAL CA C 13 64.6 0.2 . 1 . . . . . . . . 4695 1 249 . 1 1 66 66 VAL CB C 13 29.4 0.2 . 1 . . . . . . . . 4695 1 250 . 1 1 66 66 VAL N N 15 119.1 0.1 . 1 . . . . . . . . 4695 1 251 . 1 1 67 67 THR H H 1 7.64 0.02 . 1 . . . . . . . . 4695 1 252 . 1 1 67 67 THR CA C 13 65.6 0.2 . 1 . . . . . . . . 4695 1 253 . 1 1 67 67 THR CB C 13 66.7 0.2 . 1 . . . . . . . . 4695 1 254 . 1 1 67 67 THR N N 15 122.5 0.1 . 1 . . . . . . . . 4695 1 255 . 1 1 68 68 VAL H H 1 7.34 0.02 . 1 . . . . . . . . 4695 1 256 . 1 1 68 68 VAL CA C 13 64.6 0.2 . 1 . . . . . . . . 4695 1 257 . 1 1 68 68 VAL CB C 13 29.4 0.2 . 1 . . . . . . . . 4695 1 258 . 1 1 68 68 VAL N N 15 121.7 0.1 . 1 . . . . . . . . 4695 1 259 . 1 1 69 69 LEU H H 1 7.88 0.02 . 1 . . . . . . . . 4695 1 260 . 1 1 69 69 LEU CA C 13 55.8 0.2 . 1 . . . . . . . . 4695 1 261 . 1 1 69 69 LEU CB C 13 38.7 0.2 . 1 . . . . . . . . 4695 1 262 . 1 1 69 69 LEU N N 15 116.0 0.1 . 1 . . . . . . . . 4695 1 263 . 1 1 70 70 THR H H 1 8.68 0.02 . 1 . . . . . . . . 4695 1 264 . 1 1 70 70 THR CA C 13 66.7 0.2 . 1 . . . . . . . . 4695 1 265 . 1 1 70 70 THR CB C 13 65.6 0.2 . 1 . . . . . . . . 4695 1 266 . 1 1 70 70 THR N N 15 117.3 0.1 . 1 . . . . . . . . 4695 1 267 . 1 1 71 71 ALA H H 1 7.71 0.02 . 1 . . . . . . . . 4695 1 268 . 1 1 71 71 ALA CA C 13 53.2 0.2 . 1 . . . . . . . . 4695 1 269 . 1 1 71 71 ALA CB C 13 17.5 0.2 . 1 . . . . . . . . 4695 1 270 . 1 1 71 71 ALA N N 15 124.7 0.1 . 1 . . . . . . . . 4695 1 271 . 1 1 72 72 LEU H H 1 8.45 0.02 . 1 . . . . . . . . 4695 1 272 . 1 1 72 72 LEU CA C 13 55.8 0.2 . 1 . . . . . . . . 4695 1 273 . 1 1 72 72 LEU CB C 13 39.7 0.2 . 1 . . . . . . . . 4695 1 274 . 1 1 72 72 LEU N N 15 118.0 0.1 . 1 . . . . . . . . 4695 1 275 . 1 1 73 73 GLY H H 1 9.00 0.02 . 1 . . . . . . . . 4695 1 276 . 1 1 73 73 GLY CA C 13 45.9 0.2 . 1 . . . . . . . . 4695 1 277 . 1 1 73 73 GLY N N 15 107.4 0.2 . 1 . . . . . . . . 4695 1 278 . 1 1 74 74 ALA H H 1 7.65 0.02 . 1 . . . . . . . . 4695 1 279 . 1 1 74 74 ALA CA C 13 52.7 0.2 . 1 . . . . . . . . 4695 1 280 . 1 1 74 74 ALA CB C 13 15.9 0.2 . 1 . . . . . . . . 4695 1 281 . 1 1 74 74 ALA N N 15 121.3 0.1 . 1 . . . . . . . . 4695 1 282 . 1 1 75 75 ILE H H 1 7.22 0.02 . 1 . . . . . . . . 4695 1 283 . 1 1 75 75 ILE CA C 13 63.6 0.2 . 1 . . . . . . . . 4695 1 284 . 1 1 75 75 ILE CB C 13 36.6 0.2 . 1 . . . . . . . . 4695 1 285 . 1 1 75 75 ILE N N 15 116.2 0.1 . 1 . . . . . . . . 4695 1 286 . 1 1 76 76 LEU H H 1 8.53 0.02 . 1 . . . . . . . . 4695 1 287 . 1 1 76 76 LEU CA C 13 56.3 0.2 . 1 . . . . . . . . 4695 1 288 . 1 1 76 76 LEU CB C 13 39.2 0.2 . 1 . . . . . . . . 4695 1 289 . 1 1 76 76 LEU N N 15 121.6 0.1 . 1 . . . . . . . . 4695 1 290 . 1 1 77 77 LYS H H 1 7.87 0.02 . 1 . . . . . . . . 4695 1 291 . 1 1 77 77 LYS CA C 13 57.3 0.2 . 1 . . . . . . . . 4695 1 292 . 1 1 77 77 LYS CB C 13 30.9 0.2 . 1 . . . . . . . . 4695 1 293 . 1 1 77 77 LYS N N 15 113.2 0.1 . 1 . . . . . . . . 4695 1 294 . 1 1 78 78 LYS H H 1 7.26 0.02 . 1 . . . . . . . . 4695 1 295 . 1 1 78 78 LYS CA C 13 52.7 0.2 . 1 . . . . . . . . 4695 1 296 . 1 1 78 78 LYS CB C 13 28.3 0.2 . 1 . . . . . . . . 4695 1 297 . 1 1 78 78 LYS N N 15 114.6 0.1 . 1 . . . . . . . . 4695 1 298 . 1 1 79 79 LYS H H 1 7.93 0.02 . 1 . . . . . . . . 4695 1 299 . 1 1 79 79 LYS CA C 13 53.7 0.2 . 1 . . . . . . . . 4695 1 300 . 1 1 79 79 LYS CB C 13 27.3 0.2 . 1 . . . . . . . . 4695 1 301 . 1 1 79 79 LYS N N 15 120.0 0.1 . 1 . . . . . . . . 4695 1 302 . 1 1 80 80 GLY H H 1 9.31 0.02 . 1 . . . . . . . . 4695 1 303 . 1 1 80 80 GLY CA C 13 42.8 0.2 . 1 . . . . . . . . 4695 1 304 . 1 1 80 80 GLY N N 15 105.2 0.1 . 1 . . . . . . . . 4695 1 305 . 1 1 81 81 HIS H H 1 7.36 0.02 . 1 . . . . . . . . 4695 1 306 . 1 1 81 81 HIS CA C 13 52.2 0.2 . 1 . . . . . . . . 4695 1 307 . 1 1 81 81 HIS CB C 13 24.7 0.2 . 1 . . . . . . . . 4695 1 308 . 1 1 81 81 HIS N N 15 122.0 0.1 . 1 . . . . . . . . 4695 1 309 . 1 1 82 82 HIS H H 1 6.81 0.02 . 1 . . . . . . . . 4695 1 310 . 1 1 82 82 HIS CA C 13 52.7 0.2 . 1 . . . . . . . . 4695 1 311 . 1 1 82 82 HIS CB C 13 30.9 0.2 . 1 . . . . . . . . 4695 1 312 . 1 1 82 82 HIS N N 15 114.1 0.1 . 1 . . . . . . . . 4695 1 313 . 1 1 83 83 GLU H H 1 8.77 0.02 . 1 . . . . . . . . 4695 1 314 . 1 1 83 83 GLU CA C 13 59.4 0.2 . 1 . . . . . . . . 4695 1 315 . 1 1 83 83 GLU CB C 13 27.3 0.2 . 1 . . . . . . . . 4695 1 316 . 1 1 83 83 GLU N N 15 123.7 0.1 . 1 . . . . . . . . 4695 1 317 . 1 1 84 84 ALA H H 1 8.49 0.02 . 1 . . . . . . . . 4695 1 318 . 1 1 84 84 ALA CA C 13 53.7 0.2 . 1 . . . . . . . . 4695 1 319 . 1 1 84 84 ALA CB C 13 17.5 0.2 . 1 . . . . . . . . 4695 1 320 . 1 1 84 84 ALA N N 15 118.3 0.1 . 1 . . . . . . . . 4695 1 321 . 1 1 85 85 GLU H H 1 8.37 0.02 . 1 . . . . . . . . 4695 1 322 . 1 1 85 85 GLU CA C 13 57.9 0.2 . 1 . . . . . . . . 4695 1 323 . 1 1 85 85 GLU CB C 13 27.8 0.2 . 1 . . . . . . . . 4695 1 324 . 1 1 85 85 GLU N N 15 117.6 0.1 . 1 . . . . . . . . 4695 1 325 . 1 1 86 86 LEU H H 1 8.54 0.02 . 1 . . . . . . . . 4695 1 326 . 1 1 86 86 LEU CA C 13 55.3 0.2 . 1 . . . . . . . . 4695 1 327 . 1 1 86 86 LEU CB C 13 41.3 0.2 . 1 . . . . . . . . 4695 1 328 . 1 1 86 86 LEU N N 15 118.3 0.1 . 1 . . . . . . . . 4695 1 329 . 1 1 87 87 LYS H H 1 7.66 0.02 . 1 . . . . . . . . 4695 1 330 . 1 1 87 87 LYS N N 15 117.7 0.1 . 1 . . . . . . . . 4695 1 331 . 1 1 88 88 PRO CA C 13 63.6 0.2 . 1 . . . . . . . . 4695 1 332 . 1 1 88 88 PRO CB C 13 28.9 0.2 . 1 . . . . . . . . 4695 1 333 . 1 1 89 89 LEU H H 1 6.32 0.02 . 1 . . . . . . . . 4695 1 334 . 1 1 89 89 LEU CA C 13 54.8 0.2 . 1 . . . . . . . . 4695 1 335 . 1 1 89 89 LEU CB C 13 40.3 0.2 . 1 . . . . . . . . 4695 1 336 . 1 1 89 89 LEU N N 15 119.5 0.1 . 1 . . . . . . . . 4695 1 337 . 1 1 90 90 ALA H H 1 8.40 0.02 . 1 . . . . . . . . 4695 1 338 . 1 1 90 90 ALA CA C 13 53.2 0.2 . 1 . . . . . . . . 4695 1 339 . 1 1 90 90 ALA CB C 13 17.0 0.2 . 1 . . . . . . . . 4695 1 340 . 1 1 90 90 ALA N N 15 120.9 0.1 . 1 . . . . . . . . 4695 1 341 . 1 1 91 91 GLN H H 1 7.87 0.02 . 1 . . . . . . . . 4695 1 342 . 1 1 91 91 GLN CA C 13 57.9 0.2 . 1 . . . . . . . . 4695 1 343 . 1 1 91 91 GLN CB C 13 26.3 0.2 . 1 . . . . . . . . 4695 1 344 . 1 1 91 91 GLN N N 15 114.4 0.1 . 1 . . . . . . . . 4695 1 345 . 1 1 92 92 SER H H 1 7.93 0.02 . 1 . . . . . . . . 4695 1 346 . 1 1 92 92 SER CA C 13 59.9 0.2 . 1 . . . . . . . . 4695 1 347 . 1 1 92 92 SER N N 15 115.2 0.1 . 1 . . . . . . . . 4695 1 348 . 1 1 93 93 HIS H H 1 7.61 0.02 . 1 . . . . . . . . 4695 1 349 . 1 1 93 93 HIS CA C 13 59.9 0.2 . 1 . . . . . . . . 4695 1 350 . 1 1 93 93 HIS CB C 13 23.7 0.2 . 1 . . . . . . . . 4695 1 351 . 1 1 93 93 HIS N N 15 121.2 0.1 . 1 . . . . . . . . 4695 1 352 . 1 1 94 94 ALA H H 1 7.76 0.02 . 1 . . . . . . . . 4695 1 353 . 1 1 94 94 ALA CA C 13 52.2 0.2 . 1 . . . . . . . . 4695 1 354 . 1 1 94 94 ALA CB C 13 16.9 0.2 . 1 . . . . . . . . 4695 1 355 . 1 1 94 94 ALA N N 15 119.3 0.1 . 1 . . . . . . . . 4695 1 356 . 1 1 95 95 THR H H 1 6.40 0.02 . 1 . . . . . . . . 4695 1 357 . 1 1 95 95 THR CA C 13 68.2 0.2 . 1 . . . . . . . . 4695 1 358 . 1 1 95 95 THR CB C 13 61.5 0.2 . 1 . . . . . . . . 4695 1 359 . 1 1 95 95 THR N N 15 130.3 0.1 . 1 . . . . . . . . 4695 1 360 . 1 1 96 96 LYS H H 1 6.95 0.02 . 1 . . . . . . . . 4695 1 361 . 1 1 96 96 LYS CA C 13 55.3 0.2 . 1 . . . . . . . . 4695 1 362 . 1 1 96 96 LYS CB C 13 30.4 0.2 . 1 . . . . . . . . 4695 1 363 . 1 1 96 96 LYS N N 15 120.6 0.1 . 1 . . . . . . . . 4695 1 364 . 1 1 97 97 HIS H H 1 7.17 0.02 . 1 . . . . . . . . 4695 1 365 . 1 1 97 97 HIS CA C 13 53.1 0.2 . 1 . . . . . . . . 4695 1 366 . 1 1 97 97 HIS CB C 13 27.2 0.2 . 1 . . . . . . . . 4695 1 367 . 1 1 97 97 HIS N N 15 114.0 0.1 . 1 . . . . . . . . 4695 1 368 . 1 1 98 98 LYS H H 1 6.24 0.02 . 1 . . . . . . . . 4695 1 369 . 1 1 98 98 LYS CA C 13 54.8 0.2 . 1 . . . . . . . . 4695 1 370 . 1 1 98 98 LYS CB C 13 26.8 0.2 . 1 . . . . . . . . 4695 1 371 . 1 1 98 98 LYS N N 15 113.2 0.1 . 1 . . . . . . . . 4695 1 372 . 1 1 99 99 ILE H H 1 7.80 0.02 . 1 . . . . . . . . 4695 1 373 . 1 1 99 99 ILE N N 15 119.9 0.1 . 1 . . . . . . . . 4695 1 374 . 1 1 100 100 PRO CA C 13 60.5 0.2 . 1 . . . . . . . . 4695 1 375 . 1 1 100 100 PRO CB C 13 30.4 0.2 . 1 . . . . . . . . 4695 1 376 . 1 1 101 101 ILE H H 1 9.05 0.02 . 1 . . . . . . . . 4695 1 377 . 1 1 101 101 ILE CA C 13 61.0 0.2 . 1 . . . . . . . . 4695 1 378 . 1 1 101 101 ILE CB C 13 34.6 0.2 . 1 . . . . . . . . 4695 1 379 . 1 1 101 101 ILE N N 15 123.6 0.1 . 1 . . . . . . . . 4695 1 380 . 1 1 102 102 LYS H H 1 8.68 0.02 . 1 . . . . . . . . 4695 1 381 . 1 1 102 102 LYS CA C 13 56.3 0.2 . 1 . . . . . . . . 4695 1 382 . 1 1 102 102 LYS CB C 13 29.9 0.2 . 1 . . . . . . . . 4695 1 383 . 1 1 102 102 LYS N N 15 119.5 0.1 . 1 . . . . . . . . 4695 1 384 . 1 1 103 103 TYR H H 1 7.67 0.02 . 1 . . . . . . . . 4695 1 385 . 1 1 103 103 TYR CA C 13 55.8 0.2 . 1 . . . . . . . . 4695 1 386 . 1 1 103 103 TYR CB C 13 33.5 0.2 . 1 . . . . . . . . 4695 1 387 . 1 1 103 103 TYR N N 15 115.4 0.1 . 1 . . . . . . . . 4695 1 388 . 1 1 104 104 LEU H H 1 8.05 0.02 . 1 . . . . . . . . 4695 1 389 . 1 1 104 104 LEU CA C 13 55.8 0.2 . 1 . . . . . . . . 4695 1 390 . 1 1 104 104 LEU CB C 13 39.2 0.2 . 1 . . . . . . . . 4695 1 391 . 1 1 104 104 LEU N N 15 120.0 0.1 . 1 . . . . . . . . 4695 1 392 . 1 1 105 105 GLU H H 1 8.13 0.02 . 1 . . . . . . . . 4695 1 393 . 1 1 105 105 GLU CA C 13 58.4 0.2 . 1 . . . . . . . . 4695 1 394 . 1 1 105 105 GLU CB C 13 26.3 0.2 . 1 . . . . . . . . 4695 1 395 . 1 1 105 105 GLU N N 15 123.8 0.1 . 1 . . . . . . . . 4695 1 396 . 1 1 106 106 PHE H H 1 7.72 0.02 . 1 . . . . . . . . 4695 1 397 . 1 1 106 106 PHE CA C 13 55.3 0.2 . 1 . . . . . . . . 4695 1 398 . 1 1 106 106 PHE CB C 13 35.1 0.2 . 1 . . . . . . . . 4695 1 399 . 1 1 106 106 PHE N N 15 118.6 0.1 . 1 . . . . . . . . 4695 1 400 . 1 1 107 107 ILE H H 1 8.69 0.02 . 1 . . . . . . . . 4695 1 401 . 1 1 107 107 ILE CB C 13 36.1 0.2 . 1 . . . . . . . . 4695 1 402 . 1 1 107 107 ILE N N 15 119.1 0.1 . 1 . . . . . . . . 4695 1 403 . 1 1 108 108 SER H H 1 7.84 0.02 . 1 . . . . . . . . 4695 1 404 . 1 1 108 108 SER CA C 13 61.0 0.2 . 1 . . . . . . . . 4695 1 405 . 1 1 108 108 SER CB C 13 60.5 0.2 . 1 . . . . . . . . 4695 1 406 . 1 1 108 108 SER N N 15 120.5 0.1 . 1 . . . . . . . . 4695 1 407 . 1 1 109 109 GLU H H 1 7.91 0.02 . 1 . . . . . . . . 4695 1 408 . 1 1 109 109 GLU CA C 13 57.9 0.2 . 1 . . . . . . . . 4695 1 409 . 1 1 109 109 GLU CB C 13 27.8 0.2 . 1 . . . . . . . . 4695 1 410 . 1 1 109 109 GLU N N 15 120.7 0.1 . 1 . . . . . . . . 4695 1 411 . 1 1 110 110 ALA H H 1 7.75 0.02 . 1 . . . . . . . . 4695 1 412 . 1 1 110 110 ALA CA C 13 53.2 0.2 . 1 . . . . . . . . 4695 1 413 . 1 1 110 110 ALA CB C 13 16.4 0.2 . 1 . . . . . . . . 4695 1 414 . 1 1 110 110 ALA N N 15 122.1 0.1 . 1 . . . . . . . . 4695 1 415 . 1 1 111 111 ILE H H 1 8.37 0.02 . 1 . . . . . . . . 4695 1 416 . 1 1 111 111 ILE CA C 13 64.6 0.2 . 1 . . . . . . . . 4695 1 417 . 1 1 111 111 ILE CB C 13 36.1 0.2 . 1 . . . . . . . . 4695 1 418 . 1 1 111 111 ILE N N 15 117.8 0.1 . 1 . . . . . . . . 4695 1 419 . 1 1 112 112 ILE H H 1 7.85 0.02 . 1 . . . . . . . . 4695 1 420 . 1 1 112 112 ILE CA C 13 62.5 0.2 . 1 . . . . . . . . 4695 1 421 . 1 1 112 112 ILE CB C 13 34.6 0.2 . 1 . . . . . . . . 4695 1 422 . 1 1 112 112 ILE N N 15 118.4 0.1 . 1 . . . . . . . . 4695 1 423 . 1 1 113 113 HIS H H 1 8.45 0.02 . 1 . . . . . . . . 4695 1 424 . 1 1 113 113 HIS CA C 13 64.6 0.2 . 1 . . . . . . . . 4695 1 425 . 1 1 113 113 HIS CB C 13 29.4 0.2 . 1 . . . . . . . . 4695 1 426 . 1 1 113 113 HIS N N 15 117.8 0.1 . 1 . . . . . . . . 4695 1 427 . 1 1 114 114 VAL H H 1 8.38 0.02 . 1 . . . . . . . . 4695 1 428 . 1 1 114 114 VAL CA C 13 58.4 0.2 . 1 . . . . . . . . 4695 1 429 . 1 1 114 114 VAL CB C 13 28.3 0.2 . 1 . . . . . . . . 4695 1 430 . 1 1 114 114 VAL N N 15 120.1 0.1 . 1 . . . . . . . . 4695 1 431 . 1 1 115 115 LEU H H 1 8.39 0.02 . 1 . . . . . . . . 4695 1 432 . 1 1 115 115 LEU CA C 13 56.8 0.2 . 1 . . . . . . . . 4695 1 433 . 1 1 115 115 LEU CB C 13 37.7 0.2 . 1 . . . . . . . . 4695 1 434 . 1 1 115 115 LEU N N 15 120.1 0.1 . 1 . . . . . . . . 4695 1 435 . 1 1 116 116 HIS H H 1 8.10 0.02 . 1 . . . . . . . . 4695 1 436 . 1 1 116 116 HIS CA C 13 57.3 0.2 . 1 . . . . . . . . 4695 1 437 . 1 1 116 116 HIS CB C 13 27.3 0.2 . 1 . . . . . . . . 4695 1 438 . 1 1 116 116 HIS N N 15 115.5 0.1 . 1 . . . . . . . . 4695 1 439 . 1 1 117 117 SER H H 1 7.99 0.02 . 1 . . . . . . . . 4695 1 440 . 1 1 117 117 SER CA C 13 61.5 0.2 . 1 . . . . . . . . 4695 1 441 . 1 1 117 117 SER CB C 13 59.4 0.2 . 1 . . . . . . . . 4695 1 442 . 1 1 117 117 SER N N 15 112.6 0.1 . 1 . . . . . . . . 4695 1 443 . 1 1 118 118 ARG H H 1 8.12 0.02 . 1 . . . . . . . . 4695 1 444 . 1 1 118 118 ARG CA C 13 55.8 0.2 . 1 . . . . . . . . 4695 1 445 . 1 1 118 118 ARG CB C 13 29.4 0.2 . 1 . . . . . . . . 4695 1 446 . 1 1 118 118 ARG N N 15 115.5 0.1 . 1 . . . . . . . . 4695 1 447 . 1 1 119 119 HIS H H 1 7.36 0.02 . 1 . . . . . . . . 4695 1 448 . 1 1 119 119 HIS N N 15 114.3 0.1 . 1 . . . . . . . . 4695 1 449 . 1 1 120 120 PRO CA C 13 63.6 0.2 . 1 . . . . . . . . 4695 1 450 . 1 1 120 120 PRO CB C 13 28.9 0.2 . 1 . . . . . . . . 4695 1 451 . 1 1 121 121 GLY H H 1 8.56 0.02 . 1 . . . . . . . . 4695 1 452 . 1 1 121 121 GLY CA C 13 44.4 0.2 . 1 . . . . . . . . 4695 1 453 . 1 1 121 121 GLY N N 15 106.2 0.1 . 1 . . . . . . . . 4695 1 454 . 1 1 122 122 ASP H H 1 7.56 0.02 . 1 . . . . . . . . 4695 1 455 . 1 1 122 122 ASP CA C 13 52.2 0.2 . 1 . . . . . . . . 4695 1 456 . 1 1 122 122 ASP CB C 13 41.3 0.2 . 1 . . . . . . . . 4695 1 457 . 1 1 122 122 ASP N N 15 117.6 0.1 . 1 . . . . . . . . 4695 1 458 . 1 1 123 123 PHE H H 1 8.07 0.02 . 1 . . . . . . . . 4695 1 459 . 1 1 123 123 PHE CA C 13 54.8 0.2 . 1 . . . . . . . . 4695 1 460 . 1 1 123 123 PHE CB C 13 37.7 0.2 . 1 . . . . . . . . 4695 1 461 . 1 1 123 123 PHE N N 15 123.1 0.1 . 1 . . . . . . . . 4695 1 462 . 1 1 124 124 GLY H H 1 7.99 0.02 . 1 . . . . . . . . 4695 1 463 . 1 1 124 124 GLY CA C 13 42.3 0.2 . 1 . . . . . . . . 4695 1 464 . 1 1 124 124 GLY N N 15 109.6 0.1 . 1 . . . . . . . . 4695 1 465 . 1 1 125 125 ALA H H 1 8.50 0.02 . 1 . . . . . . . . 4695 1 466 . 1 1 125 125 ALA CA C 13 54.2 0.2 . 1 . . . . . . . . 4695 1 467 . 1 1 125 125 ALA CB C 13 17.0 0.2 . 1 . . . . . . . . 4695 1 468 . 1 1 125 125 ALA N N 15 120.9 0.1 . 1 . . . . . . . . 4695 1 469 . 1 1 126 126 ASP H H 1 8.60 0.02 . 1 . . . . . . . . 4695 1 470 . 1 1 126 126 ASP CA C 13 54.8 0.2 . 1 . . . . . . . . 4695 1 471 . 1 1 126 126 ASP CB C 13 36.6 0.2 . 1 . . . . . . . . 4695 1 472 . 1 1 126 126 ASP N N 15 117.2 0.1 . 1 . . . . . . . . 4695 1 473 . 1 1 127 127 ALA H H 1 8.23 0.02 . 1 . . . . . . . . 4695 1 474 . 1 1 127 127 ALA CA C 13 53.2 0.2 . 1 . . . . . . . . 4695 1 475 . 1 1 127 127 ALA CB C 13 17.0 0.2 . 1 . . . . . . . . 4695 1 476 . 1 1 127 127 ALA N N 15 126.3 0.1 . 1 . . . . . . . . 4695 1 477 . 1 1 128 128 GLN H H 1 8.54 0.02 . 1 . . . . . . . . 4695 1 478 . 1 1 128 128 GLN CA C 13 57.3 0.2 . 1 . . . . . . . . 4695 1 479 . 1 1 128 128 GLN CB C 13 26.3 0.2 . 1 . . . . . . . . 4695 1 480 . 1 1 128 128 GLN N N 15 118.3 0.1 . 1 . . . . . . . . 4695 1 481 . 1 1 129 129 GLY H H 1 8.06 0.02 . 1 . . . . . . . . 4695 1 482 . 1 1 129 129 GLY CA C 13 45.4 0.2 . 1 . . . . . . . . 4695 1 483 . 1 1 129 129 GLY N N 15 106.8 0.1 . 1 . . . . . . . . 4695 1 484 . 1 1 130 130 ALA H H 1 7.75 0.02 . 1 . . . . . . . . 4695 1 485 . 1 1 130 130 ALA CA C 13 53.7 0.2 . 1 . . . . . . . . 4695 1 486 . 1 1 130 130 ALA CB C 13 17.0 0.2 . 1 . . . . . . . . 4695 1 487 . 1 1 130 130 ALA N N 15 124.3 0.1 . 1 . . . . . . . . 4695 1 488 . 1 1 131 131 MET H H 1 8.53 0.02 . 1 . . . . . . . . 4695 1 489 . 1 1 131 131 MET CA C 13 55.3 0.2 . 1 . . . . . . . . 4695 1 490 . 1 1 131 131 MET CB C 13 29.4 0.2 . 1 . . . . . . . . 4695 1 491 . 1 1 131 131 MET N N 15 116.4 0.1 . 1 . . . . . . . . 4695 1 492 . 1 1 132 132 ASN H H 1 8.73 0.02 . 1 . . . . . . . . 4695 1 493 . 1 1 132 132 ASN CA C 13 55.3 0.2 . 1 . . . . . . . . 4695 1 494 . 1 1 132 132 ASN CB C 13 36.6 0.2 . 1 . . . . . . . . 4695 1 495 . 1 1 132 132 ASN N N 15 117.5 0.1 . 1 . . . . . . . . 4695 1 496 . 1 1 133 133 LYS H H 1 7.88 0.02 . 1 . . . . . . . . 4695 1 497 . 1 1 133 133 LYS CA C 13 58.4 0.2 . 1 . . . . . . . . 4695 1 498 . 1 1 133 133 LYS CB C 13 30.9 0.2 . 1 . . . . . . . . 4695 1 499 . 1 1 133 133 LYS N N 15 120.3 0.1 . 1 . . . . . . . . 4695 1 500 . 1 1 134 134 ALA H H 1 8.40 0.02 . 1 . . . . . . . . 4695 1 501 . 1 1 134 134 ALA CA C 13 53.7 0.2 . 1 . . . . . . . . 4695 1 502 . 1 1 134 134 ALA CB C 13 16.4 0.2 . 1 . . . . . . . . 4695 1 503 . 1 1 134 134 ALA N N 15 122.6 0.1 . 1 . . . . . . . . 4695 1 504 . 1 1 135 135 LEU H H 1 8.45 0.02 . 1 . . . . . . . . 4695 1 505 . 1 1 135 135 LEU CA C 13 55.3 0.2 . 1 . . . . . . . . 4695 1 506 . 1 1 135 135 LEU CB C 13 38.7 0.2 . 1 . . . . . . . . 4695 1 507 . 1 1 135 135 LEU N N 15 116.0 0.1 . 1 . . . . . . . . 4695 1 508 . 1 1 136 136 GLU H H 1 8.45 0.02 . 1 . . . . . . . . 4695 1 509 . 1 1 136 136 GLU CA C 13 58.4 0.2 . 1 . . . . . . . . 4695 1 510 . 1 1 136 136 GLU CB C 13 27.3 0.2 . 1 . . . . . . . . 4695 1 511 . 1 1 136 136 GLU N N 15 123.1 0.1 . 1 . . . . . . . . 4695 1 512 . 1 1 137 137 LEU H H 1 8.31 0.02 . 1 . . . . . . . . 4695 1 513 . 1 1 137 137 LEU CA C 13 56.8 0.2 . 1 . . . . . . . . 4695 1 514 . 1 1 137 137 LEU CB C 13 39.7 0.2 . 1 . . . . . . . . 4695 1 515 . 1 1 137 137 LEU N N 15 121.9 0.1 . 1 . . . . . . . . 4695 1 516 . 1 1 138 138 PHE H H 1 7.87 0.02 . 1 . . . . . . . . 4695 1 517 . 1 1 138 138 PHE CA C 13 58.9 0.2 . 1 . . . . . . . . 4695 1 518 . 1 1 138 138 PHE CB C 13 36.5 0.2 . 1 . . . . . . . . 4695 1 519 . 1 1 138 138 PHE N N 15 118.2 0.1 . 1 . . . . . . . . 4695 1 520 . 1 1 139 139 ARG H H 1 8.46 0.02 . 1 . . . . . . . . 4695 1 521 . 1 1 139 139 ARG CA C 13 58.4 0.2 . 1 . . . . . . . . 4695 1 522 . 1 1 139 139 ARG CB C 13 28.9 0.2 . 1 . . . . . . . . 4695 1 523 . 1 1 139 139 ARG N N 15 116.8 0.1 . 1 . . . . . . . . 4695 1 524 . 1 1 140 140 LYS H H 1 8.76 0.02 . 1 . . . . . . . . 4695 1 525 . 1 1 140 140 LYS CA C 13 57.9 0.2 . 1 . . . . . . . . 4695 1 526 . 1 1 140 140 LYS CB C 13 29.9 0.2 . 1 . . . . . . . . 4695 1 527 . 1 1 140 140 LYS N N 15 121.4 0.1 . 1 . . . . . . . . 4695 1 528 . 1 1 141 141 ASP H H 1 8.46 0.02 . 1 . . . . . . . . 4695 1 529 . 1 1 141 141 ASP CA C 13 55.3 0.2 . 1 . . . . . . . . 4695 1 530 . 1 1 141 141 ASP CB C 13 37.7 0.2 . 1 . . . . . . . . 4695 1 531 . 1 1 141 141 ASP N N 15 122.0 0.1 . 1 . . . . . . . . 4695 1 532 . 1 1 142 142 ILE H H 1 8.28 0.02 . 1 . . . . . . . . 4695 1 533 . 1 1 142 142 ILE CA C 13 63.0 0.2 . 1 . . . . . . . . 4695 1 534 . 1 1 142 142 ILE CB C 13 33.5 0.2 . 1 . . . . . . . . 4695 1 535 . 1 1 142 142 ILE N N 15 122.5 0.1 . 1 . . . . . . . . 4695 1 536 . 1 1 143 143 ALA H H 1 8.14 0.02 . 1 . . . . . . . . 4695 1 537 . 1 1 143 143 ALA CA C 13 53.7 0.2 . 1 . . . . . . . . 4695 1 538 . 1 1 143 143 ALA CB C 13 15.9 0.2 . 1 . . . . . . . . 4695 1 539 . 1 1 143 143 ALA N N 15 122.7 0.1 . 1 . . . . . . . . 4695 1 540 . 1 1 144 144 ALA H H 1 7.67 0.02 . 1 . . . . . . . . 4695 1 541 . 1 1 144 144 ALA CA C 13 53.2 0.2 . 1 . . . . . . . . 4695 1 542 . 1 1 144 144 ALA CB C 13 16.4 0.2 . 1 . . . . . . . . 4695 1 543 . 1 1 144 144 ALA N N 15 120.4 0.1 . 1 . . . . . . . . 4695 1 544 . 1 1 145 145 LYS H H 1 7.50 0.02 . 1 . . . . . . . . 4695 1 545 . 1 1 145 145 LYS CA C 13 55.8 0.2 . 1 . . . . . . . . 4695 1 546 . 1 1 145 145 LYS CB C 13 29.4 0.2 . 1 . . . . . . . . 4695 1 547 . 1 1 145 145 LYS N N 15 119.0 0.1 . 1 . . . . . . . . 4695 1 548 . 1 1 146 146 TYR H H 1 9.02 0.02 . 1 . . . . . . . . 4695 1 549 . 1 1 146 146 TYR CA C 13 58.4 0.2 . 1 . . . . . . . . 4695 1 550 . 1 1 146 146 TYR CB C 13 34.6 0.2 . 1 . . . . . . . . 4695 1 551 . 1 1 146 146 TYR N N 15 121.2 0.1 . 1 . . . . . . . . 4695 1 552 . 1 1 147 147 LYS H H 1 7.62 0.02 . 1 . . . . . . . . 4695 1 553 . 1 1 147 147 LYS CA C 13 57.9 0.2 . 1 . . . . . . . . 4695 1 554 . 1 1 147 147 LYS CB C 13 29.9 0.2 . 1 . . . . . . . . 4695 1 555 . 1 1 147 147 LYS N N 15 117.9 0.1 . 1 . . . . . . . . 4695 1 556 . 1 1 148 148 GLU H H 1 7.60 0.02 . 1 . . . . . . . . 4695 1 557 . 1 1 148 148 GLU CA C 13 57.3 0.2 . 1 . . . . . . . . 4695 1 558 . 1 1 148 148 GLU CB C 13 27.8 0.2 . 1 . . . . . . . . 4695 1 559 . 1 1 148 148 GLU N N 15 120.0 0.1 . 1 . . . . . . . . 4695 1 560 . 1 1 149 149 LEU H H 1 7.69 0.02 . 1 . . . . . . . . 4695 1 561 . 1 1 149 149 LEU CA C 13 53.2 0.2 . 1 . . . . . . . . 4695 1 562 . 1 1 149 149 LEU CB C 13 40.8 0.2 . 1 . . . . . . . . 4695 1 563 . 1 1 149 149 LEU N N 15 117.0 0.1 . 1 . . . . . . . . 4695 1 564 . 1 1 150 150 GLY H H 1 7.73 0.02 . 1 . . . . . . . . 4695 1 565 . 1 1 150 150 GLY CA C 13 43.4 0.2 . 1 . . . . . . . . 4695 1 566 . 1 1 150 150 GLY N N 15 107.0 0.1 . 1 . . . . . . . . 4695 1 567 . 1 1 151 151 TYR H H 1 7.97 0.02 . 1 . . . . . . . . 4695 1 568 . 1 1 151 151 TYR CA C 13 54.8 0.2 . 1 . . . . . . . . 4695 1 569 . 1 1 151 151 TYR CB C 13 37.7 0.2 . 1 . . . . . . . . 4695 1 570 . 1 1 151 151 TYR N N 15 121.2 0.1 . 1 . . . . . . . . 4695 1 571 . 1 1 152 152 GLN H H 1 8.18 0.02 . 1 . . . . . . . . 4695 1 572 . 1 1 152 152 GLN CA C 13 53.7 0.2 . 1 . . . . . . . . 4695 1 573 . 1 1 152 152 GLN CB C 13 27.3 0.2 . 1 . . . . . . . . 4695 1 574 . 1 1 152 152 GLN N N 15 124.8 0.1 . 1 . . . . . . . . 4695 1 575 . 1 1 153 153 GLY H H 1 6.48 0.02 . 1 . . . . . . . . 4695 1 576 . 1 1 153 153 GLY N N 15 113.0 0.1 . 1 . . . . . . . . 4695 1 stop_ save_