################################### # 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_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4166 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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_one . 4166 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 GLU CA C 13 56.556 0.1 . 1 . . . . . . . . 4166 1 2 . 1 1 2 2 LYS H H 1 8.442 0.02 . 1 . . . . . . . . 4166 1 3 . 1 1 2 2 LYS CA C 13 56.154 0.1 . 1 . . . . . . . . 4166 1 4 . 1 1 2 2 LYS N N 15 123.814 0.1 . 1 . . . . . . . . 4166 1 5 . 1 1 3 3 LEU H H 1 8.326 0.02 . 1 . . . . . . . . 4166 1 6 . 1 1 3 3 LEU CA C 13 54.193 0.1 . 1 . . . . . . . . 4166 1 7 . 1 1 3 3 LEU N N 15 125.983 0.1 . 1 . . . . . . . . 4166 1 8 . 1 1 4 4 GLY H H 1 7.457 0.02 . 1 . . . . . . . . 4166 1 9 . 1 1 4 4 GLY CA C 13 44.805 0.1 . 1 . . . . . . . . 4166 1 10 . 1 1 4 4 GLY N N 15 103.283 0.1 . 1 . . . . . . . . 4166 1 11 . 1 1 5 5 LYS H H 1 8.710 0.02 . 1 . . . . . . . . 4166 1 12 . 1 1 5 5 LYS CA C 13 55.161 0.1 . 1 . . . . . . . . 4166 1 13 . 1 1 5 5 LYS N N 15 116.074 0.1 . 1 . . . . . . . . 4166 1 14 . 1 1 6 6 LEU H H 1 9.102 0.02 . 1 . . . . . . . . 4166 1 15 . 1 1 6 6 LEU CA C 13 54.113 0.1 . 1 . . . . . . . . 4166 1 16 . 1 1 6 6 LEU N N 15 123.595 0.1 . 1 . . . . . . . . 4166 1 17 . 1 1 7 7 GLN H H 1 8.999 0.02 . 1 . . . . . . . . 4166 1 18 . 1 1 7 7 GLN CA C 13 52.940 0.1 . 1 . . . . . . . . 4166 1 19 . 1 1 7 7 GLN N N 15 128.936 0.1 . 1 . . . . . . . . 4166 1 20 . 1 1 8 8 TYR H H 1 8.510 0.02 . 1 . . . . . . . . 4166 1 21 . 1 1 8 8 TYR CA C 13 55.057 0.1 . 1 . . . . . . . . 4166 1 22 . 1 1 8 8 TYR N N 15 126.859 0.1 . 1 . . . . . . . . 4166 1 23 . 1 1 9 9 SER H H 1 9.523 0.02 . 1 . . . . . . . . 4166 1 24 . 1 1 9 9 SER CA C 13 55.786 0.1 . 1 . . . . . . . . 4166 1 25 . 1 1 9 9 SER N N 15 114.439 0.1 . 1 . . . . . . . . 4166 1 26 . 1 1 10 10 LEU H H 1 8.696 0.02 . 1 . . . . . . . . 4166 1 27 . 1 1 10 10 LEU CA C 13 53.836 0.1 . 1 . . . . . . . . 4166 1 28 . 1 1 10 10 LEU N N 15 122.061 0.1 . 1 . . . . . . . . 4166 1 29 . 1 1 11 11 ASP H H 1 8.755 0.02 . 1 . . . . . . . . 4166 1 30 . 1 1 11 11 ASP CA C 13 52.965 0.1 . 1 . . . . . . . . 4166 1 31 . 1 1 11 11 ASP N N 15 121.181 0.1 . 1 . . . . . . . . 4166 1 32 . 1 1 12 12 TYR H H 1 8.898 0.02 . 1 . . . . . . . . 4166 1 33 . 1 1 12 12 TYR CA C 13 58.241 0.1 . 1 . . . . . . . . 4166 1 34 . 1 1 12 12 TYR N N 15 125.144 0.1 . 1 . . . . . . . . 4166 1 35 . 1 1 13 13 ASP H H 1 8.080 0.02 . 1 . . . . . . . . 4166 1 36 . 1 1 13 13 ASP CA C 13 51.525 0.1 . 1 . . . . . . . . 4166 1 37 . 1 1 13 13 ASP N N 15 127.675 0.1 . 1 . . . . . . . . 4166 1 38 . 1 1 14 14 PHE H H 1 8.565 0.02 . 1 . . . . . . . . 4166 1 39 . 1 1 14 14 PHE CA C 13 61.132 0.1 . 1 . . . . . . . . 4166 1 40 . 1 1 14 14 PHE N N 15 124.719 0.1 . 1 . . . . . . . . 4166 1 41 . 1 1 15 15 GLN H H 1 8.363 0.02 . 1 . . . . . . . . 4166 1 42 . 1 1 15 15 GLN CA C 13 58.325 0.1 . 1 . . . . . . . . 4166 1 43 . 1 1 15 15 GLN N N 15 119.693 0.1 . 1 . . . . . . . . 4166 1 44 . 1 1 16 16 ASN H H 1 7.412 0.02 . 1 . . . . . . . . 4166 1 45 . 1 1 16 16 ASN CA C 13 52.478 0.1 . 1 . . . . . . . . 4166 1 46 . 1 1 16 16 ASN N N 15 114.578 0.1 . 1 . . . . . . . . 4166 1 47 . 1 1 17 17 ASN H H 1 7.745 0.02 . 1 . . . . . . . . 4166 1 48 . 1 1 17 17 ASN CA C 13 54.928 0.1 . 1 . . . . . . . . 4166 1 49 . 1 1 17 17 ASN N N 15 119.362 0.1 . 1 . . . . . . . . 4166 1 50 . 1 1 18 18 GLN H H 1 6.822 0.02 . 1 . . . . . . . . 4166 1 51 . 1 1 18 18 GLN CA C 13 53.316 0.1 . 1 . . . . . . . . 4166 1 52 . 1 1 18 18 GLN N N 15 111.737 0.1 . 1 . . . . . . . . 4166 1 53 . 1 1 19 19 LEU H H 1 9.121 0.02 . 1 . . . . . . . . 4166 1 54 . 1 1 19 19 LEU CA C 13 54.308 0.1 . 1 . . . . . . . . 4166 1 55 . 1 1 19 19 LEU N N 15 125.819 0.1 . 1 . . . . . . . . 4166 1 56 . 1 1 20 20 LEU H H 1 9.086 0.02 . 1 . . . . . . . . 4166 1 57 . 1 1 20 20 LEU CA C 13 54.044 0.1 . 1 . . . . . . . . 4166 1 58 . 1 1 20 20 LEU N N 15 129.687 0.1 . 1 . . . . . . . . 4166 1 59 . 1 1 21 21 VAL H H 1 9.138 0.02 . 1 . . . . . . . . 4166 1 60 . 1 1 21 21 VAL CA C 13 60.936 0.1 . 1 . . . . . . . . 4166 1 61 . 1 1 21 21 VAL N N 15 126.869 0.1 . 1 . . . . . . . . 4166 1 62 . 1 1 22 22 GLY H H 1 9.543 0.02 . 1 . . . . . . . . 4166 1 63 . 1 1 22 22 GLY CA C 13 44.312 0.1 . 1 . . . . . . . . 4166 1 64 . 1 1 22 22 GLY N N 15 118.402 0.1 . 1 . . . . . . . . 4166 1 65 . 1 1 23 23 ILE H H 1 8.858 0.02 . 1 . . . . . . . . 4166 1 66 . 1 1 23 23 ILE CA C 13 58.711 0.1 . 1 . . . . . . . . 4166 1 67 . 1 1 23 23 ILE N N 15 126.540 0.1 . 1 . . . . . . . . 4166 1 68 . 1 1 24 24 ILE H H 1 8.433 0.02 . 1 . . . . . . . . 4166 1 69 . 1 1 24 24 ILE CA C 13 65.533 0.1 . 1 . . . . . . . . 4166 1 70 . 1 1 24 24 ILE N N 15 127.703 0.1 . 1 . . . . . . . . 4166 1 71 . 1 1 25 25 GLN H H 1 7.770 0.02 . 1 . . . . . . . . 4166 1 72 . 1 1 25 25 GLN CA C 13 54.709 0.1 . 1 . . . . . . . . 4166 1 73 . 1 1 25 25 GLN N N 15 111.519 0.1 . 1 . . . . . . . . 4166 1 74 . 1 1 26 26 ALA H H 1 9.228 0.02 . 1 . . . . . . . . 4166 1 75 . 1 1 26 26 ALA CA C 13 50.570 0.1 . 1 . . . . . . . . 4166 1 76 . 1 1 26 26 ALA N N 15 122.075 0.1 . 1 . . . . . . . . 4166 1 77 . 1 1 27 27 ALA H H 1 9.122 0.02 . 1 . . . . . . . . 4166 1 78 . 1 1 27 27 ALA CA C 13 51.007 0.1 . 1 . . . . . . . . 4166 1 79 . 1 1 27 27 ALA N N 15 121.209 0.1 . 1 . . . . . . . . 4166 1 80 . 1 1 28 28 GLU H H 1 8.486 0.02 . 1 . . . . . . . . 4166 1 81 . 1 1 28 28 GLU CA C 13 56.403 0.1 . 1 . . . . . . . . 4166 1 82 . 1 1 28 28 GLU N N 15 114.082 0.1 . 1 . . . . . . . . 4166 1 83 . 1 1 29 29 LEU H H 1 7.996 0.02 . 1 . . . . . . . . 4166 1 84 . 1 1 29 29 LEU CA C 13 53.500 0.1 . 1 . . . . . . . . 4166 1 85 . 1 1 29 29 LEU N N 15 116.541 0.1 . 1 . . . . . . . . 4166 1 86 . 1 1 30 30 PRO CA C 13 61.560 0.1 . 1 . . . . . . . . 4166 1 87 . 1 1 31 31 ALA H H 1 8.262 0.02 . 1 . . . . . . . . 4166 1 88 . 1 1 31 31 ALA CA C 13 51.024 0.1 . 1 . . . . . . . . 4166 1 89 . 1 1 31 31 ALA N N 15 122.628 0.1 . 1 . . . . . . . . 4166 1 90 . 1 1 32 32 LEU H H 1 8.183 0.02 . 1 . . . . . . . . 4166 1 91 . 1 1 32 32 LEU CA C 13 53.807 0.1 . 1 . . . . . . . . 4166 1 92 . 1 1 32 32 LEU N N 15 127.481 0.1 . 1 . . . . . . . . 4166 1 93 . 1 1 33 33 ASP H H 1 8.234 0.02 . 1 . . . . . . . . 4166 1 94 . 1 1 33 33 ASP CA C 13 52.747 0.1 . 1 . . . . . . . . 4166 1 95 . 1 1 33 33 ASP N N 15 123.007 0.1 . 1 . . . . . . . . 4166 1 96 . 1 1 35 35 GLY CA C 13 45.298 0.1 . 1 . . . . . . . . 4166 1 97 . 1 1 36 36 GLY H H 1 8.061 0.02 . 1 . . . . . . . . 4166 1 98 . 1 1 36 36 GLY CA C 13 46.426 0.1 . 1 . . . . . . . . 4166 1 99 . 1 1 36 36 GLY N N 15 106.805 0.1 . 1 . . . . . . . . 4166 1 100 . 1 1 37 37 THR H H 1 6.902 0.02 . 1 . . . . . . . . 4166 1 101 . 1 1 37 37 THR CA C 13 60.172 0.1 . 1 . . . . . . . . 4166 1 102 . 1 1 37 37 THR N N 15 109.423 0.1 . 1 . . . . . . . . 4166 1 103 . 1 1 38 38 SER H H 1 6.859 0.02 . 1 . . . . . . . . 4166 1 104 . 1 1 38 38 SER CA C 13 57.859 0.1 . 1 . . . . . . . . 4166 1 105 . 1 1 38 38 SER N N 15 114.468 0.1 . 1 . . . . . . . . 4166 1 106 . 1 1 39 39 ASP H H 1 9.148 0.02 . 1 . . . . . . . . 4166 1 107 . 1 1 39 39 ASP CA C 13 51.623 0.1 . 1 . . . . . . . . 4166 1 108 . 1 1 39 39 ASP N N 15 122.083 0.1 . 1 . . . . . . . . 4166 1 109 . 1 1 40 40 PRO CA C 13 62.983 0.1 . 1 . . . . . . . . 4166 1 110 . 1 1 41 41 TYR H H 1 8.809 0.02 . 1 . . . . . . . . 4166 1 111 . 1 1 41 41 TYR CA C 13 56.630 0.1 . 1 . . . . . . . . 4166 1 112 . 1 1 41 41 TYR N N 15 115.202 0.1 . 1 . . . . . . . . 4166 1 113 . 1 1 42 42 VAL H H 1 8.448 0.02 . 1 . . . . . . . . 4166 1 114 . 1 1 42 42 VAL CA C 13 60.451 0.1 . 1 . . . . . . . . 4166 1 115 . 1 1 42 42 VAL N N 15 120.833 0.1 . 1 . . . . . . . . 4166 1 116 . 1 1 43 43 LYS H H 1 9.671 0.02 . 1 . . . . . . . . 4166 1 117 . 1 1 43 43 LYS CA C 13 55.107 0.1 . 1 . . . . . . . . 4166 1 118 . 1 1 43 43 LYS N N 15 127.946 0.1 . 1 . . . . . . . . 4166 1 119 . 1 1 44 44 VAL H H 1 9.005 0.02 . 1 . . . . . . . . 4166 1 120 . 1 1 44 44 VAL CA C 13 59.986 0.1 . 1 . . . . . . . . 4166 1 121 . 1 1 44 44 VAL N N 15 123.358 0.1 . 1 . . . . . . . . 4166 1 122 . 1 1 45 45 PHE H H 1 8.326 0.02 . 1 . . . . . . . . 4166 1 123 . 1 1 45 45 PHE CA C 13 56.172 0.1 . 1 . . . . . . . . 4166 1 124 . 1 1 45 45 PHE N N 15 121.373 0.1 . 1 . . . . . . . . 4166 1 125 . 1 1 46 46 LEU H H 1 9.264 0.02 . 1 . . . . . . . . 4166 1 126 . 1 1 46 46 LEU CA C 13 52.831 0.1 . 1 . . . . . . . . 4166 1 127 . 1 1 46 46 LEU N N 15 122.121 0.1 . 1 . . . . . . . . 4166 1 128 . 1 1 47 47 LEU H H 1 9.042 0.02 . 1 . . . . . . . . 4166 1 129 . 1 1 47 47 LEU CA C 13 53.217 0.1 . 1 . . . . . . . . 4166 1 130 . 1 1 47 47 LEU N N 15 124.669 0.1 . 1 . . . . . . . . 4166 1 131 . 1 1 49 49 GLU CA C 13 55.390 0.1 . 1 . . . . . . . . 4166 1 132 . 1 1 50 50 LYS H H 1 8.418 0.02 . 1 . . . . . . . . 4166 1 133 . 1 1 50 50 LYS CA C 13 57.232 0.1 . 1 . . . . . . . . 4166 1 134 . 1 1 50 50 LYS N N 15 120.815 0.1 . 1 . . . . . . . . 4166 1 135 . 1 1 51 51 LYS H H 1 8.173 0.02 . 1 . . . . . . . . 4166 1 136 . 1 1 51 51 LYS CA C 13 57.990 0.1 . 1 . . . . . . . . 4166 1 137 . 1 1 51 51 LYS N N 15 119.191 0.1 . 1 . . . . . . . . 4166 1 138 . 1 1 52 52 LYS H H 1 7.533 0.02 . 1 . . . . . . . . 4166 1 139 . 1 1 52 52 LYS CA C 13 55.053 0.1 . 1 . . . . . . . . 4166 1 140 . 1 1 52 52 LYS N N 15 121.124 0.1 . 1 . . . . . . . . 4166 1 141 . 1 1 53 53 LYS H H 1 7.868 0.02 . 1 . . . . . . . . 4166 1 142 . 1 1 53 53 LYS CA C 13 54.142 0.1 . 1 . . . . . . . . 4166 1 143 . 1 1 53 53 LYS N N 15 124.196 0.1 . 1 . . . . . . . . 4166 1 144 . 1 1 54 54 PHE H H 1 8.624 0.02 . 1 . . . . . . . . 4166 1 145 . 1 1 54 54 PHE CA C 13 56.423 0.1 . 1 . . . . . . . . 4166 1 146 . 1 1 54 54 PHE N N 15 121.619 0.1 . 1 . . . . . . . . 4166 1 147 . 1 1 55 55 GLU H H 1 8.319 0.02 . 1 . . . . . . . . 4166 1 148 . 1 1 55 55 GLU CA C 13 54.088 0.1 . 1 . . . . . . . . 4166 1 149 . 1 1 55 55 GLU N N 15 118.889 0.1 . 1 . . . . . . . . 4166 1 150 . 1 1 56 56 THR H H 1 8.768 0.02 . 1 . . . . . . . . 4166 1 151 . 1 1 56 56 THR CA C 13 61.563 0.1 . 1 . . . . . . . . 4166 1 152 . 1 1 56 56 THR N N 15 112.813 0.1 . 1 . . . . . . . . 4166 1 153 . 1 1 57 57 LYS H H 1 9.769 0.02 . 1 . . . . . . . . 4166 1 154 . 1 1 57 57 LYS CA C 13 57.223 0.1 . 1 . . . . . . . . 4166 1 155 . 1 1 57 57 LYS N N 15 120.667 0.1 . 1 . . . . . . . . 4166 1 156 . 1 1 58 58 VAL H H 1 8.069 0.02 . 1 . . . . . . . . 4166 1 157 . 1 1 58 58 VAL CA C 13 62.301 0.1 . 1 . . . . . . . . 4166 1 158 . 1 1 58 58 VAL N N 15 123.450 0.1 . 1 . . . . . . . . 4166 1 159 . 1 1 59 59 HIS H H 1 8.679 0.02 . 1 . . . . . . . . 4166 1 160 . 1 1 59 59 HIS CA C 13 55.548 0.1 . 1 . . . . . . . . 4166 1 161 . 1 1 59 59 HIS N N 15 132.487 0.1 . 1 . . . . . . . . 4166 1 162 . 1 1 60 60 ARG H H 1 8.142 0.02 . 1 . . . . . . . . 4166 1 163 . 1 1 60 60 ARG CA C 13 56.160 0.1 . 1 . . . . . . . . 4166 1 164 . 1 1 60 60 ARG N N 15 120.493 0.1 . 1 . . . . . . . . 4166 1 165 . 1 1 61 61 LYS H H 1 9.756 0.02 . 1 . . . . . . . . 4166 1 166 . 1 1 61 61 LYS CA C 13 57.125 0.1 . 1 . . . . . . . . 4166 1 167 . 1 1 61 61 LYS N N 15 122.699 0.1 . 1 . . . . . . . . 4166 1 168 . 1 1 62 62 THR H H 1 8.496 0.02 . 1 . . . . . . . . 4166 1 169 . 1 1 62 62 THR CA C 13 60.128 0.1 . 1 . . . . . . . . 4166 1 170 . 1 1 62 62 THR N N 15 114.307 0.1 . 1 . . . . . . . . 4166 1 171 . 1 1 63 63 LEU H H 1 8.274 0.02 . 1 . . . . . . . . 4166 1 172 . 1 1 63 63 LEU CA C 13 53.033 0.1 . 1 . . . . . . . . 4166 1 173 . 1 1 63 63 LEU N N 15 123.668 0.1 . 1 . . . . . . . . 4166 1 174 . 1 1 64 64 ASN H H 1 8.228 0.02 . 1 . . . . . . . . 4166 1 175 . 1 1 64 64 ASN CA C 13 51.191 0.1 . 1 . . . . . . . . 4166 1 176 . 1 1 64 64 ASN N N 15 115.944 0.1 . 1 . . . . . . . . 4166 1 177 . 1 1 65 65 PRO CA C 13 62.188 0.1 . 1 . . . . . . . . 4166 1 178 . 1 1 66 66 VAL H H 1 8.117 0.02 . 1 . . . . . . . . 4166 1 179 . 1 1 66 66 VAL CA C 13 61.937 0.1 . 1 . . . . . . . . 4166 1 180 . 1 1 66 66 VAL N N 15 122.282 0.1 . 1 . . . . . . . . 4166 1 181 . 1 1 67 67 PHE H H 1 7.869 0.02 . 1 . . . . . . . . 4166 1 182 . 1 1 67 67 PHE CA C 13 59.724 0.1 . 1 . . . . . . . . 4166 1 183 . 1 1 67 67 PHE N N 15 124.413 0.1 . 1 . . . . . . . . 4166 1 184 . 1 1 68 68 ASN H H 1 9.030 0.02 . 1 . . . . . . . . 4166 1 185 . 1 1 68 68 ASN CA C 13 54.372 0.1 . 1 . . . . . . . . 4166 1 186 . 1 1 68 68 ASN N N 15 118.023 0.1 . 1 . . . . . . . . 4166 1 187 . 1 1 69 69 GLU H H 1 8.045 0.02 . 1 . . . . . . . . 4166 1 188 . 1 1 69 69 GLU CA C 13 56.231 0.1 . 1 . . . . . . . . 4166 1 189 . 1 1 69 69 GLU N N 15 117.203 0.1 . 1 . . . . . . . . 4166 1 190 . 1 1 70 70 GLN H H 1 8.190 0.02 . 1 . . . . . . . . 4166 1 191 . 1 1 70 70 GLN CA C 13 54.255 0.1 . 1 . . . . . . . . 4166 1 192 . 1 1 70 70 GLN N N 15 122.577 0.1 . 1 . . . . . . . . 4166 1 193 . 1 1 71 71 PHE H H 1 9.085 0.02 . 1 . . . . . . . . 4166 1 194 . 1 1 71 71 PHE CA C 13 55.635 0.1 . 1 . . . . . . . . 4166 1 195 . 1 1 71 71 PHE N N 15 125.310 0.1 . 1 . . . . . . . . 4166 1 196 . 1 1 72 72 THR H H 1 7.785 0.02 . 1 . . . . . . . . 4166 1 197 . 1 1 72 72 THR CA C 13 59.919 0.1 . 1 . . . . . . . . 4166 1 198 . 1 1 72 72 THR N N 15 115.132 0.1 . 1 . . . . . . . . 4166 1 199 . 1 1 73 73 PHE H H 1 9.041 0.02 . 1 . . . . . . . . 4166 1 200 . 1 1 73 73 PHE CA C 13 56.541 0.1 . 1 . . . . . . . . 4166 1 201 . 1 1 73 73 PHE N N 15 121.965 0.1 . 1 . . . . . . . . 4166 1 202 . 1 1 74 74 LYS CA C 13 56.593 0.1 . 1 . . . . . . . . 4166 1 203 . 1 1 75 75 VAL H H 1 7.619 0.02 . 1 . . . . . . . . 4166 1 204 . 1 1 75 75 VAL CA C 13 58.169 0.1 . 1 . . . . . . . . 4166 1 205 . 1 1 75 75 VAL N N 15 127.742 0.1 . 1 . . . . . . . . 4166 1 206 . 1 1 76 76 PRO CA C 13 62.892 0.1 . 1 . . . . . . . . 4166 1 207 . 1 1 77 77 TYR H H 1 8.650 0.02 . 1 . . . . . . . . 4166 1 208 . 1 1 77 77 TYR CA C 13 62.186 0.1 . 1 . . . . . . . . 4166 1 209 . 1 1 77 77 TYR N N 15 129.653 0.1 . 1 . . . . . . . . 4166 1 210 . 1 1 78 78 SER H H 1 8.539 0.02 . 1 . . . . . . . . 4166 1 211 . 1 1 78 78 SER CA C 13 60.444 0.1 . 1 . . . . . . . . 4166 1 212 . 1 1 78 78 SER N N 15 111.770 0.1 . 1 . . . . . . . . 4166 1 213 . 1 1 79 79 GLU H H 1 7.472 0.02 . 1 . . . . . . . . 4166 1 214 . 1 1 79 79 GLU CA C 13 55.674 0.1 . 1 . . . . . . . . 4166 1 215 . 1 1 79 79 GLU N N 15 120.185 0.1 . 1 . . . . . . . . 4166 1 216 . 1 1 80 80 LEU H H 1 7.375 0.02 . 1 . . . . . . . . 4166 1 217 . 1 1 80 80 LEU CA C 13 57.752 0.1 . 1 . . . . . . . . 4166 1 218 . 1 1 80 80 LEU N N 15 122.762 0.1 . 1 . . . . . . . . 4166 1 219 . 1 1 81 81 GLY H H 1 7.920 0.02 . 1 . . . . . . . . 4166 1 220 . 1 1 81 81 GLY CA C 13 47.038 0.1 . 1 . . . . . . . . 4166 1 221 . 1 1 81 81 GLY N N 15 103.992 0.1 . 1 . . . . . . . . 4166 1 222 . 1 1 82 82 GLY H H 1 7.457 0.02 . 1 . . . . . . . . 4166 1 223 . 1 1 82 82 GLY CA C 13 44.756 0.1 . 1 . . . . . . . . 4166 1 224 . 1 1 82 82 GLY N N 15 107.080 0.1 . 1 . . . . . . . . 4166 1 225 . 1 1 83 83 LYS H H 1 7.949 0.02 . 1 . . . . . . . . 4166 1 226 . 1 1 83 83 LYS CA C 13 54.223 0.1 . 1 . . . . . . . . 4166 1 227 . 1 1 83 83 LYS N N 15 120.099 0.1 . 1 . . . . . . . . 4166 1 228 . 1 1 84 84 THR H H 1 8.322 0.02 . 1 . . . . . . . . 4166 1 229 . 1 1 84 84 THR CA C 13 62.258 0.1 . 1 . . . . . . . . 4166 1 230 . 1 1 84 84 THR N N 15 119.512 0.1 . 1 . . . . . . . . 4166 1 231 . 1 1 85 85 LEU H H 1 8.485 0.02 . 1 . . . . . . . . 4166 1 232 . 1 1 85 85 LEU CA C 13 54.481 0.1 . 1 . . . . . . . . 4166 1 233 . 1 1 85 85 LEU N N 15 131.698 0.1 . 1 . . . . . . . . 4166 1 234 . 1 1 86 86 VAL H H 1 8.844 0.02 . 1 . . . . . . . . 4166 1 235 . 1 1 86 86 VAL CA C 13 61.639 0.1 . 1 . . . . . . . . 4166 1 236 . 1 1 86 86 VAL N N 15 128.967 0.1 . 1 . . . . . . . . 4166 1 237 . 1 1 87 87 MET H H 1 7.628 0.02 . 1 . . . . . . . . 4166 1 238 . 1 1 87 87 MET CA C 13 54.106 0.1 . 1 . . . . . . . . 4166 1 239 . 1 1 87 87 MET N N 15 123.688 0.1 . 1 . . . . . . . . 4166 1 240 . 1 1 88 88 ALA H H 1 8.933 0.02 . 1 . . . . . . . . 4166 1 241 . 1 1 88 88 ALA CA C 13 50.541 0.1 . 1 . . . . . . . . 4166 1 242 . 1 1 88 88 ALA N N 15 126.041 0.1 . 1 . . . . . . . . 4166 1 243 . 1 1 89 89 VAL H H 1 8.960 0.02 . 1 . . . . . . . . 4166 1 244 . 1 1 89 89 VAL CA C 13 61.113 0.1 . 1 . . . . . . . . 4166 1 245 . 1 1 89 89 VAL N N 15 124.024 0.1 . 1 . . . . . . . . 4166 1 246 . 1 1 90 90 TYR H H 1 8.835 0.02 . 1 . . . . . . . . 4166 1 247 . 1 1 90 90 TYR CA C 13 56.813 0.1 . 1 . . . . . . . . 4166 1 248 . 1 1 90 90 TYR N N 15 127.737 0.1 . 1 . . . . . . . . 4166 1 249 . 1 1 91 91 ASP H H 1 9.067 0.02 . 1 . . . . . . . . 4166 1 250 . 1 1 91 91 ASP CA C 13 52.011 0.1 . 1 . . . . . . . . 4166 1 251 . 1 1 91 91 ASP N N 15 118.185 0.1 . 1 . . . . . . . . 4166 1 252 . 1 1 92 92 PHE H H 1 9.306 0.02 . 1 . . . . . . . . 4166 1 253 . 1 1 92 92 PHE CA C 13 60.515 0.1 . 1 . . . . . . . . 4166 1 254 . 1 1 92 92 PHE N N 15 126.884 0.1 . 1 . . . . . . . . 4166 1 255 . 1 1 93 93 ASP H H 1 6.198 0.02 . 1 . . . . . . . . 4166 1 256 . 1 1 93 93 ASP CA C 13 52.957 0.1 . 1 . . . . . . . . 4166 1 257 . 1 1 93 93 ASP N N 15 132.246 0.1 . 1 . . . . . . . . 4166 1 258 . 1 1 95 95 PHE CA C 13 57.568 0.1 . 1 . . . . . . . . 4166 1 259 . 1 1 96 96 SER H H 1 7.537 0.02 . 1 . . . . . . . . 4166 1 260 . 1 1 96 96 SER CA C 13 57.014 0.1 . 1 . . . . . . . . 4166 1 261 . 1 1 96 96 SER N N 15 113.720 0.1 . 1 . . . . . . . . 4166 1 262 . 1 1 97 97 LYS H H 1 8.064 0.02 . 1 . . . . . . . . 4166 1 263 . 1 1 97 97 LYS CA C 13 56.870 0.1 . 1 . . . . . . . . 4166 1 264 . 1 1 97 97 LYS N N 15 121.424 0.1 . 1 . . . . . . . . 4166 1 265 . 1 1 98 98 HIS H H 1 8.597 0.02 . 1 . . . . . . . . 4166 1 266 . 1 1 98 98 HIS CA C 13 54.890 0.1 . 1 . . . . . . . . 4166 1 267 . 1 1 98 98 HIS N N 15 125.667 0.1 . 1 . . . . . . . . 4166 1 268 . 1 1 99 99 ASP H H 1 8.289 0.02 . 1 . . . . . . . . 4166 1 269 . 1 1 99 99 ASP CA C 13 54.346 0.1 . 1 . . . . . . . . 4166 1 270 . 1 1 99 99 ASP N N 15 125.178 0.1 . 1 . . . . . . . . 4166 1 271 . 1 1 100 100 ILE H H 1 8.494 0.02 . 1 . . . . . . . . 4166 1 272 . 1 1 100 100 ILE CA C 13 61.113 0.1 . 1 . . . . . . . . 4166 1 273 . 1 1 100 100 ILE N N 15 124.844 0.1 . 1 . . . . . . . . 4166 1 274 . 1 1 101 101 ILE H H 1 8.835 0.02 . 1 . . . . . . . . 4166 1 275 . 1 1 101 101 ILE CA C 13 63.933 0.1 . 1 . . . . . . . . 4166 1 276 . 1 1 101 101 ILE N N 15 127.737 0.1 . 1 . . . . . . . . 4166 1 277 . 1 1 102 102 GLY H H 1 7.331 0.02 . 1 . . . . . . . . 4166 1 278 . 1 1 102 102 GLY CA C 13 45.635 0.1 . 1 . . . . . . . . 4166 1 279 . 1 1 102 102 GLY N N 15 102.447 0.1 . 1 . . . . . . . . 4166 1 280 . 1 1 103 103 GLU H H 1 9.461 0.02 . 1 . . . . . . . . 4166 1 281 . 1 1 103 103 GLU CA C 13 54.580 0.1 . 1 . . . . . . . . 4166 1 282 . 1 1 103 103 GLU N N 15 118.513 0.1 . 1 . . . . . . . . 4166 1 283 . 1 1 104 104 PHE H H 1 8.612 0.02 . 1 . . . . . . . . 4166 1 284 . 1 1 104 104 PHE CA C 13 58.734 0.1 . 1 . . . . . . . . 4166 1 285 . 1 1 104 104 PHE N N 15 117.557 0.1 . 1 . . . . . . . . 4166 1 286 . 1 1 105 105 LYS H H 1 7.701 0.02 . 1 . . . . . . . . 4166 1 287 . 1 1 105 105 LYS CA C 13 54.161 0.1 . 1 . . . . . . . . 4166 1 288 . 1 1 105 105 LYS N N 15 120.985 0.1 . 1 . . . . . . . . 4166 1 289 . 1 1 106 106 VAL H H 1 9.283 0.02 . 1 . . . . . . . . 4166 1 290 . 1 1 106 106 VAL CA C 13 58.879 0.1 . 1 . . . . . . . . 4166 1 291 . 1 1 106 106 VAL N N 15 122.367 0.1 . 1 . . . . . . . . 4166 1 292 . 1 1 107 107 PRO CA C 13 62.613 0.1 . 1 . . . . . . . . 4166 1 293 . 1 1 108 108 MET H H 1 8.789 0.02 . 1 . . . . . . . . 4166 1 294 . 1 1 108 108 MET CA C 13 57.011 0.1 . 1 . . . . . . . . 4166 1 295 . 1 1 108 108 MET N N 15 127.635 0.1 . 1 . . . . . . . . 4166 1 296 . 1 1 109 109 ASN H H 1 8.403 0.02 . 1 . . . . . . . . 4166 1 297 . 1 1 109 109 ASN CA C 13 54.435 0.1 . 1 . . . . . . . . 4166 1 298 . 1 1 109 109 ASN N N 15 116.771 0.1 . 1 . . . . . . . . 4166 1 299 . 1 1 110 110 THR H H 1 7.602 0.02 . 1 . . . . . . . . 4166 1 300 . 1 1 110 110 THR CA C 13 61.520 0.1 . 1 . . . . . . . . 4166 1 301 . 1 1 110 110 THR N N 15 108.878 0.1 . 1 . . . . . . . . 4166 1 302 . 1 1 111 111 VAL H H 1 7.024 0.02 . 1 . . . . . . . . 4166 1 303 . 1 1 111 111 VAL CA C 13 62.225 0.1 . 1 . . . . . . . . 4166 1 304 . 1 1 111 111 VAL N N 15 124.670 0.1 . 1 . . . . . . . . 4166 1 305 . 1 1 112 112 ASP H H 1 8.383 0.02 . 1 . . . . . . . . 4166 1 306 . 1 1 112 112 ASP CA C 13 52.232 0.1 . 1 . . . . . . . . 4166 1 307 . 1 1 112 112 ASP N N 15 127.548 0.1 . 1 . . . . . . . . 4166 1 308 . 1 1 113 113 PHE H H 1 8.449 0.02 . 1 . . . . . . . . 4166 1 309 . 1 1 113 113 PHE CA C 13 60.271 0.1 . 1 . . . . . . . . 4166 1 310 . 1 1 113 113 PHE N N 15 123.747 0.1 . 1 . . . . . . . . 4166 1 311 . 1 1 114 114 GLY H H 1 9.029 0.02 . 1 . . . . . . . . 4166 1 312 . 1 1 114 114 GLY CA C 13 46.146 0.1 . 1 . . . . . . . . 4166 1 313 . 1 1 114 114 GLY N N 15 110.082 0.1 . 1 . . . . . . . . 4166 1 314 . 1 1 115 115 HIS H H 1 7.588 0.02 . 1 . . . . . . . . 4166 1 315 . 1 1 115 115 HIS CA C 13 54.449 0.1 . 1 . . . . . . . . 4166 1 316 . 1 1 115 115 HIS N N 15 117.501 0.1 . 1 . . . . . . . . 4166 1 317 . 1 1 116 116 VAL H H 1 8.407 0.02 . 1 . . . . . . . . 4166 1 318 . 1 1 116 116 VAL CA C 13 63.235 0.1 . 1 . . . . . . . . 4166 1 319 . 1 1 116 116 VAL N N 15 123.630 0.1 . 1 . . . . . . . . 4166 1 320 . 1 1 117 117 THR H H 1 8.539 0.02 . 1 . . . . . . . . 4166 1 321 . 1 1 117 117 THR CA C 13 61.885 0.1 . 1 . . . . . . . . 4166 1 322 . 1 1 117 117 THR N N 15 125.088 0.1 . 1 . . . . . . . . 4166 1 323 . 1 1 118 118 GLU H H 1 8.400 0.02 . 1 . . . . . . . . 4166 1 324 . 1 1 118 118 GLU CA C 13 55.603 0.1 . 1 . . . . . . . . 4166 1 325 . 1 1 118 118 GLU N N 15 126.877 0.1 . 1 . . . . . . . . 4166 1 326 . 1 1 119 119 GLU H H 1 8.185 0.02 . 1 . . . . . . . . 4166 1 327 . 1 1 119 119 GLU CA C 13 54.780 0.1 . 1 . . . . . . . . 4166 1 328 . 1 1 119 119 GLU N N 15 124.160 0.1 . 1 . . . . . . . . 4166 1 329 . 1 1 120 120 TRP H H 1 8.278 0.02 . 1 . . . . . . . . 4166 1 330 . 1 1 120 120 TRP CA C 13 56.155 0.1 . 1 . . . . . . . . 4166 1 331 . 1 1 120 120 TRP N N 15 119.862 0.1 . 1 . . . . . . . . 4166 1 332 . 1 1 121 121 ARG H H 1 9.130 0.02 . 1 . . . . . . . . 4166 1 333 . 1 1 121 121 ARG CA C 13 53.807 0.1 . 1 . . . . . . . . 4166 1 334 . 1 1 121 121 ARG N N 15 122.360 0.1 . 1 . . . . . . . . 4166 1 335 . 1 1 122 122 ASP H H 1 8.234 0.02 . 1 . . . . . . . . 4166 1 336 . 1 1 122 122 ASP CA C 13 54.349 0.1 . 1 . . . . . . . . 4166 1 337 . 1 1 122 122 ASP N N 15 123.007 0.1 . 1 . . . . . . . . 4166 1 338 . 1 1 123 123 LEU H H 1 8.418 0.02 . 1 . . . . . . . . 4166 1 339 . 1 1 123 123 LEU CA C 13 55.360 0.1 . 1 . . . . . . . . 4166 1 340 . 1 1 123 123 LEU N N 15 122.366 0.1 . 1 . . . . . . . . 4166 1 341 . 1 1 124 124 GLN H H 1 9.070 0.02 . 1 . . . . . . . . 4166 1 342 . 1 1 124 124 GLN CA C 13 53.672 0.1 . 1 . . . . . . . . 4166 1 343 . 1 1 124 124 GLN N N 15 120.073 0.1 . 1 . . . . . . . . 4166 1 344 . 1 1 125 125 SER H H 1 8.524 0.02 . 1 . . . . . . . . 4166 1 345 . 1 1 125 125 SER CA C 13 58.723 0.1 . 1 . . . . . . . . 4166 1 346 . 1 1 125 125 SER N N 15 116.342 0.1 . 1 . . . . . . . . 4166 1 347 . 1 1 126 126 ALA H H 1 8.689 0.02 . 1 . . . . . . . . 4166 1 348 . 1 1 126 126 ALA CA C 13 51.871 0.1 . 1 . . . . . . . . 4166 1 349 . 1 1 126 126 ALA N N 15 128.535 0.1 . 1 . . . . . . . . 4166 1 350 . 1 1 127 127 GLU H H 1 8.320 0.02 . 1 . . . . . . . . 4166 1 351 . 1 1 127 127 GLU CA C 13 56.635 0.1 . 1 . . . . . . . . 4166 1 352 . 1 1 127 127 GLU N N 15 122.215 0.1 . 1 . . . . . . . . 4166 1 353 . 1 1 128 128 LYS H H 1 7.906 0.02 . 1 . . . . . . . . 4166 1 354 . 1 1 128 128 LYS CA C 13 57.692 0.1 . 1 . . . . . . . . 4166 1 355 . 1 1 128 128 LYS N N 15 128.607 0.1 . 1 . . . . . . . . 4166 1 stop_ save_