################################### # 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 4167 _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 . 4167 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 56.510 0.1 . 1 . . . . . . . . 4167 1 2 . 1 1 2 2 LYS H H 1 8.465 0.02 . 1 . . . . . . . . 4167 1 3 . 1 1 2 2 LYS CA C 13 56.226 0.1 . 1 . . . . . . . . 4167 1 4 . 1 1 2 2 LYS N N 15 123.986 0.1 . 1 . . . . . . . . 4167 1 5 . 1 1 3 3 LEU H H 1 8.331 0.02 . 1 . . . . . . . . 4167 1 6 . 1 1 3 3 LEU CA C 13 54.218 0.1 . 1 . . . . . . . . 4167 1 7 . 1 1 3 3 LEU N N 15 125.964 0.1 . 1 . . . . . . . . 4167 1 8 . 1 1 4 4 GLY H H 1 7.450 0.02 . 1 . . . . . . . . 4167 1 9 . 1 1 4 4 GLY CA C 13 44.875 0.1 . 1 . . . . . . . . 4167 1 10 . 1 1 4 4 GLY N N 15 103.292 0.1 . 1 . . . . . . . . 4167 1 11 . 1 1 5 5 LYS H H 1 8.719 0.02 . 1 . . . . . . . . 4167 1 12 . 1 1 5 5 LYS CA C 13 55.175 0.1 . 1 . . . . . . . . 4167 1 13 . 1 1 5 5 LYS N N 15 116.035 0.1 . 1 . . . . . . . . 4167 1 14 . 1 1 6 6 LEU H H 1 9.101 0.02 . 1 . . . . . . . . 4167 1 15 . 1 1 6 6 LEU CA C 13 54.148 0.1 . 1 . . . . . . . . 4167 1 16 . 1 1 6 6 LEU N N 15 123.588 0.1 . 1 . . . . . . . . 4167 1 17 . 1 1 7 7 GLN H H 1 8.992 0.02 . 1 . . . . . . . . 4167 1 18 . 1 1 7 7 GLN CA C 13 53.000 0.1 . 1 . . . . . . . . 4167 1 19 . 1 1 7 7 GLN N N 15 129.003 0.1 . 1 . . . . . . . . 4167 1 20 . 1 1 8 8 TYR H H 1 8.496 0.02 . 1 . . . . . . . . 4167 1 21 . 1 1 8 8 TYR CA C 13 55.045 0.1 . 1 . . . . . . . . 4167 1 22 . 1 1 8 8 TYR N N 15 126.908 0.1 . 1 . . . . . . . . 4167 1 23 . 1 1 9 9 SER H H 1 9.543 0.02 . 1 . . . . . . . . 4167 1 24 . 1 1 9 9 SER CA C 13 55.735 0.1 . 1 . . . . . . . . 4167 1 25 . 1 1 9 9 SER N N 15 114.490 0.1 . 1 . . . . . . . . 4167 1 26 . 1 1 10 10 LEU H H 1 8.735 0.02 . 1 . . . . . . . . 4167 1 27 . 1 1 10 10 LEU CA C 13 53.844 0.1 . 1 . . . . . . . . 4167 1 28 . 1 1 10 10 LEU N N 15 121.960 0.1 . 1 . . . . . . . . 4167 1 29 . 1 1 11 11 ASP H H 1 8.741 0.02 . 1 . . . . . . . . 4167 1 30 . 1 1 11 11 ASP CA C 13 52.979 0.1 . 1 . . . . . . . . 4167 1 31 . 1 1 11 11 ASP N N 15 121.104 0.1 . 1 . . . . . . . . 4167 1 32 . 1 1 12 12 TYR H H 1 8.945 0.02 . 1 . . . . . . . . 4167 1 33 . 1 1 12 12 TYR CA C 13 58.241 0.1 . 1 . . . . . . . . 4167 1 34 . 1 1 12 12 TYR N N 15 125.237 0.1 . 1 . . . . . . . . 4167 1 35 . 1 1 13 13 ASP H H 1 8.090 0.02 . 1 . . . . . . . . 4167 1 36 . 1 1 13 13 ASP CA C 13 51.559 0.1 . 1 . . . . . . . . 4167 1 37 . 1 1 13 13 ASP N N 15 127.626 0.1 . 1 . . . . . . . . 4167 1 38 . 1 1 14 14 PHE H H 1 8.562 0.02 . 1 . . . . . . . . 4167 1 39 . 1 1 14 14 PHE CA C 13 61.104 0.1 . 1 . . . . . . . . 4167 1 40 . 1 1 14 14 PHE N N 15 124.717 0.1 . 1 . . . . . . . . 4167 1 41 . 1 1 15 15 GLN H H 1 8.362 0.02 . 1 . . . . . . . . 4167 1 42 . 1 1 15 15 GLN CA C 13 58.318 0.1 . 1 . . . . . . . . 4167 1 43 . 1 1 15 15 GLN N N 15 119.670 0.1 . 1 . . . . . . . . 4167 1 44 . 1 1 16 16 ASN H H 1 7.413 0.02 . 1 . . . . . . . . 4167 1 45 . 1 1 16 16 ASN CA C 13 52.485 0.1 . 1 . . . . . . . . 4167 1 46 . 1 1 16 16 ASN N N 15 114.591 0.1 . 1 . . . . . . . . 4167 1 47 . 1 1 17 17 ASN H H 1 7.749 0.02 . 1 . . . . . . . . 4167 1 48 . 1 1 17 17 ASN CA C 13 54.933 0.1 . 1 . . . . . . . . 4167 1 49 . 1 1 17 17 ASN N N 15 119.350 0.1 . 1 . . . . . . . . 4167 1 50 . 1 1 18 18 GLN H H 1 6.826 0.02 . 1 . . . . . . . . 4167 1 51 . 1 1 18 18 GLN CA C 13 53.328 0.1 . 1 . . . . . . . . 4167 1 52 . 1 1 18 18 GLN N N 15 111.744 0.1 . 1 . . . . . . . . 4167 1 53 . 1 1 19 19 LEU H H 1 9.122 0.02 . 1 . . . . . . . . 4167 1 54 . 1 1 19 19 LEU CA C 13 54.330 0.1 . 1 . . . . . . . . 4167 1 55 . 1 1 19 19 LEU N N 15 125.816 0.1 . 1 . . . . . . . . 4167 1 56 . 1 1 20 20 LEU H H 1 9.084 0.02 . 1 . . . . . . . . 4167 1 57 . 1 1 20 20 LEU CA C 13 54.071 0.1 . 1 . . . . . . . . 4167 1 58 . 1 1 20 20 LEU N N 15 129.678 0.1 . 1 . . . . . . . . 4167 1 59 . 1 1 21 21 VAL H H 1 9.134 0.02 . 1 . . . . . . . . 4167 1 60 . 1 1 21 21 VAL CA C 13 60.905 0.1 . 1 . . . . . . . . 4167 1 61 . 1 1 21 21 VAL N N 15 126.888 0.1 . 1 . . . . . . . . 4167 1 62 . 1 1 22 22 GLY H H 1 9.543 0.02 . 1 . . . . . . . . 4167 1 63 . 1 1 22 22 GLY CA C 13 44.332 0.1 . 1 . . . . . . . . 4167 1 64 . 1 1 22 22 GLY N N 15 118.371 0.1 . 1 . . . . . . . . 4167 1 65 . 1 1 23 23 ILE H H 1 8.878 0.02 . 1 . . . . . . . . 4167 1 66 . 1 1 23 23 ILE CA C 13 58.718 0.1 . 1 . . . . . . . . 4167 1 67 . 1 1 23 23 ILE N N 15 126.400 0.1 . 1 . . . . . . . . 4167 1 68 . 1 1 24 24 ILE H H 1 8.438 0.02 . 1 . . . . . . . . 4167 1 69 . 1 1 24 24 ILE CA C 13 65.448 0.1 . 1 . . . . . . . . 4167 1 70 . 1 1 24 24 ILE N N 15 127.756 0.1 . 1 . . . . . . . . 4167 1 71 . 1 1 25 25 GLN H H 1 7.791 0.02 . 1 . . . . . . . . 4167 1 72 . 1 1 25 25 GLN CA C 13 54.750 0.1 . 1 . . . . . . . . 4167 1 73 . 1 1 25 25 GLN N N 15 111.842 0.1 . 1 . . . . . . . . 4167 1 74 . 1 1 26 26 ALA H H 1 9.242 0.02 . 1 . . . . . . . . 4167 1 75 . 1 1 26 26 ALA CA C 13 50.601 0.1 . 1 . . . . . . . . 4167 1 76 . 1 1 26 26 ALA N N 15 122.135 0.1 . 1 . . . . . . . . 4167 1 77 . 1 1 27 27 ALA H H 1 9.127 0.02 . 1 . . . . . . . . 4167 1 78 . 1 1 27 27 ALA CA C 13 51.051 0.1 . 1 . . . . . . . . 4167 1 79 . 1 1 27 27 ALA N N 15 121.242 0.1 . 1 . . . . . . . . 4167 1 80 . 1 1 28 28 GLU H H 1 8.494 0.02 . 1 . . . . . . . . 4167 1 81 . 1 1 28 28 GLU CA C 13 56.401 0.1 . 1 . . . . . . . . 4167 1 82 . 1 1 28 28 GLU N N 15 114.071 0.1 . 1 . . . . . . . . 4167 1 83 . 1 1 29 29 LEU H H 1 8.013 0.02 . 1 . . . . . . . . 4167 1 84 . 1 1 29 29 LEU CA C 13 53.491 0.1 . 1 . . . . . . . . 4167 1 85 . 1 1 29 29 LEU N N 15 116.561 0.1 . 1 . . . . . . . . 4167 1 86 . 1 1 30 30 PRO CA C 13 61.558 0.1 . 1 . . . . . . . . 4167 1 87 . 1 1 31 31 ALA H H 1 8.263 0.02 . 1 . . . . . . . . 4167 1 88 . 1 1 31 31 ALA CA C 13 51.043 0.1 . 1 . . . . . . . . 4167 1 89 . 1 1 31 31 ALA N N 15 122.663 0.1 . 1 . . . . . . . . 4167 1 90 . 1 1 32 32 LEU H H 1 8.179 0.02 . 1 . . . . . . . . 4167 1 91 . 1 1 32 32 LEU CA C 13 53.897 0.1 . 1 . . . . . . . . 4167 1 92 . 1 1 32 32 LEU N N 15 127.434 0.1 . 1 . . . . . . . . 4167 1 93 . 1 1 33 33 ASP H H 1 8.244 0.02 . 1 . . . . . . . . 4167 1 94 . 1 1 33 33 ASP CA C 13 52.773 0.1 . 1 . . . . . . . . 4167 1 95 . 1 1 33 33 ASP N N 15 122.900 0.1 . 1 . . . . . . . . 4167 1 96 . 1 1 34 34 MET H H 1 8.602 0.02 . 1 . . . . . . . . 4167 1 97 . 1 1 34 34 MET CA C 13 57.243 0.1 . 1 . . . . . . . . 4167 1 98 . 1 1 34 34 MET N N 15 121.770 0.1 . 1 . . . . . . . . 4167 1 99 . 1 1 35 35 GLY H H 1 8.686 0.02 . 1 . . . . . . . . 4167 1 100 . 1 1 35 35 GLY CA C 13 45.345 0.1 . 1 . . . . . . . . 4167 1 101 . 1 1 35 35 GLY N N 15 110.955 0.1 . 1 . . . . . . . . 4167 1 102 . 1 1 36 36 GLY H H 1 8.060 0.02 . 1 . . . . . . . . 4167 1 103 . 1 1 36 36 GLY CA C 13 46.446 0.1 . 1 . . . . . . . . 4167 1 104 . 1 1 36 36 GLY N N 15 106.883 0.1 . 1 . . . . . . . . 4167 1 105 . 1 1 37 37 THR H H 1 6.928 0.02 . 1 . . . . . . . . 4167 1 106 . 1 1 37 37 THR CA C 13 60.160 0.1 . 1 . . . . . . . . 4167 1 107 . 1 1 37 37 THR N N 15 109.523 0.1 . 1 . . . . . . . . 4167 1 108 . 1 1 38 38 SER H H 1 6.893 0.02 . 1 . . . . . . . . 4167 1 109 . 1 1 38 38 SER CA C 13 57.859 0.1 . 1 . . . . . . . . 4167 1 110 . 1 1 38 38 SER N N 15 114.591 0.1 . 1 . . . . . . . . 4167 1 111 . 1 1 39 39 ASP H H 1 9.182 0.02 . 1 . . . . . . . . 4167 1 112 . 1 1 39 39 ASP CA C 13 51.598 0.1 . 1 . . . . . . . . 4167 1 113 . 1 1 39 39 ASP N N 15 122.017 0.1 . 1 . . . . . . . . 4167 1 114 . 1 1 40 40 PRO CA C 13 62.961 0.1 . 1 . . . . . . . . 4167 1 115 . 1 1 41 41 TYR H H 1 8.837 0.02 . 1 . . . . . . . . 4167 1 116 . 1 1 41 41 TYR CA C 13 56.626 0.1 . 1 . . . . . . . . 4167 1 117 . 1 1 41 41 TYR N N 15 115.631 0.1 . 1 . . . . . . . . 4167 1 118 . 1 1 42 42 VAL H H 1 8.422 0.02 . 1 . . . . . . . . 4167 1 119 . 1 1 42 42 VAL CA C 13 60.446 0.1 . 1 . . . . . . . . 4167 1 120 . 1 1 42 42 VAL N N 15 120.864 0.1 . 1 . . . . . . . . 4167 1 121 . 1 1 43 43 LYS H H 1 9.661 0.02 . 1 . . . . . . . . 4167 1 122 . 1 1 43 43 LYS CA C 13 55.111 0.1 . 1 . . . . . . . . 4167 1 123 . 1 1 43 43 LYS N N 15 128.064 0.1 . 1 . . . . . . . . 4167 1 124 . 1 1 44 44 VAL H H 1 9.002 0.02 . 1 . . . . . . . . 4167 1 125 . 1 1 44 44 VAL CA C 13 59.947 0.1 . 1 . . . . . . . . 4167 1 126 . 1 1 44 44 VAL N N 15 123.390 0.1 . 1 . . . . . . . . 4167 1 127 . 1 1 45 45 PHE H H 1 8.322 0.02 . 1 . . . . . . . . 4167 1 128 . 1 1 45 45 PHE CA C 13 56.180 0.1 . 1 . . . . . . . . 4167 1 129 . 1 1 45 45 PHE N N 15 121.324 0.1 . 1 . . . . . . . . 4167 1 130 . 1 1 46 46 LEU H H 1 9.271 0.02 . 1 . . . . . . . . 4167 1 131 . 1 1 46 46 LEU CA C 13 52.868 0.1 . 1 . . . . . . . . 4167 1 132 . 1 1 46 46 LEU N N 15 122.108 0.1 . 1 . . . . . . . . 4167 1 133 . 1 1 47 47 LEU H H 1 9.046 0.02 . 1 . . . . . . . . 4167 1 134 . 1 1 47 47 LEU CA C 13 53.156 0.1 . 1 . . . . . . . . 4167 1 135 . 1 1 47 47 LEU N N 15 124.570 0.1 . 1 . . . . . . . . 4167 1 136 . 1 1 48 48 PRO CA C 13 63.585 0.1 . 1 . . . . . . . . 4167 1 137 . 1 1 49 49 GLU H H 1 8.495 0.02 . 1 . . . . . . . . 4167 1 138 . 1 1 49 49 GLU CA C 13 55.458 0.1 . 1 . . . . . . . . 4167 1 139 . 1 1 49 49 GLU N N 15 123.879 0.1 . 1 . . . . . . . . 4167 1 140 . 1 1 50 50 LYS H H 1 8.430 0.02 . 1 . . . . . . . . 4167 1 141 . 1 1 50 50 LYS CA C 13 57.237 0.1 . 1 . . . . . . . . 4167 1 142 . 1 1 50 50 LYS N N 15 120.668 0.1 . 1 . . . . . . . . 4167 1 143 . 1 1 51 51 LYS H H 1 8.176 0.02 . 1 . . . . . . . . 4167 1 144 . 1 1 51 51 LYS CA C 13 57.997 0.1 . 1 . . . . . . . . 4167 1 145 . 1 1 51 51 LYS N N 15 119.218 0.1 . 1 . . . . . . . . 4167 1 146 . 1 1 52 52 LYS H H 1 7.550 0.02 . 1 . . . . . . . . 4167 1 147 . 1 1 52 52 LYS CA C 13 55.056 0.1 . 1 . . . . . . . . 4167 1 148 . 1 1 52 52 LYS N N 15 121.068 0.1 . 1 . . . . . . . . 4167 1 149 . 1 1 53 53 LYS H H 1 7.874 0.02 . 1 . . . . . . . . 4167 1 150 . 1 1 53 53 LYS CA C 13 54.140 0.1 . 1 . . . . . . . . 4167 1 151 . 1 1 53 53 LYS N N 15 124.148 0.1 . 1 . . . . . . . . 4167 1 152 . 1 1 54 54 PHE H H 1 8.610 0.02 . 1 . . . . . . . . 4167 1 153 . 1 1 54 54 PHE CA C 13 56.409 0.1 . 1 . . . . . . . . 4167 1 154 . 1 1 54 54 PHE N N 15 121.530 0.1 . 1 . . . . . . . . 4167 1 155 . 1 1 55 55 GLU H H 1 8.332 0.02 . 1 . . . . . . . . 4167 1 156 . 1 1 55 55 GLU CA C 13 54.068 0.1 . 1 . . . . . . . . 4167 1 157 . 1 1 55 55 GLU N N 15 118.863 0.1 . 1 . . . . . . . . 4167 1 158 . 1 1 56 56 THR H H 1 8.799 0.02 . 1 . . . . . . . . 4167 1 159 . 1 1 56 56 THR CA C 13 61.491 0.1 . 1 . . . . . . . . 4167 1 160 . 1 1 56 56 THR N N 15 112.712 0.1 . 1 . . . . . . . . 4167 1 161 . 1 1 57 57 LYS H H 1 9.831 0.02 . 1 . . . . . . . . 4167 1 162 . 1 1 57 57 LYS CA C 13 57.194 0.1 . 1 . . . . . . . . 4167 1 163 . 1 1 57 57 LYS N N 15 120.757 0.1 . 1 . . . . . . . . 4167 1 164 . 1 1 58 58 VAL H H 1 8.189 0.02 . 1 . . . . . . . . 4167 1 165 . 1 1 58 58 VAL CA C 13 62.407 0.1 . 1 . . . . . . . . 4167 1 166 . 1 1 58 58 VAL N N 15 123.962 0.1 . 1 . . . . . . . . 4167 1 167 . 1 1 59 59 HIS H H 1 8.629 0.02 . 1 . . . . . . . . 4167 1 168 . 1 1 59 59 HIS CA C 13 54.857 0.1 . 1 . . . . . . . . 4167 1 169 . 1 1 59 59 HIS N N 15 130.963 0.1 . 1 . . . . . . . . 4167 1 170 . 1 1 60 60 ARG H H 1 8.218 0.02 . 1 . . . . . . . . 4167 1 171 . 1 1 60 60 ARG CA C 13 56.411 0.1 . 1 . . . . . . . . 4167 1 172 . 1 1 60 60 ARG N N 15 120.904 0.1 . 1 . . . . . . . . 4167 1 173 . 1 1 61 61 LYS H H 1 9.766 0.02 . 1 . . . . . . . . 4167 1 174 . 1 1 61 61 LYS CA C 13 57.092 0.1 . 1 . . . . . . . . 4167 1 175 . 1 1 61 61 LYS N N 15 122.594 0.1 . 1 . . . . . . . . 4167 1 176 . 1 1 62 62 THR H H 1 8.507 0.02 . 1 . . . . . . . . 4167 1 177 . 1 1 62 62 THR CA C 13 60.209 0.1 . 1 . . . . . . . . 4167 1 178 . 1 1 62 62 THR N N 15 114.308 0.1 . 1 . . . . . . . . 4167 1 179 . 1 1 63 63 LEU H H 1 8.286 0.02 . 1 . . . . . . . . 4167 1 180 . 1 1 63 63 LEU CA C 13 53.089 0.1 . 1 . . . . . . . . 4167 1 181 . 1 1 63 63 LEU N N 15 123.783 0.1 . 1 . . . . . . . . 4167 1 182 . 1 1 64 64 ASN H H 1 8.258 0.02 . 1 . . . . . . . . 4167 1 183 . 1 1 64 64 ASN CA C 13 51.201 0.1 . 1 . . . . . . . . 4167 1 184 . 1 1 64 64 ASN N N 15 115.998 0.1 . 1 . . . . . . . . 4167 1 185 . 1 1 65 65 PRO CA C 13 62.204 0.1 . 1 . . . . . . . . 4167 1 186 . 1 1 66 66 VAL H H 1 7.941 0.02 . 1 . . . . . . . . 4167 1 187 . 1 1 66 66 VAL CA C 13 62.096 0.1 . 1 . . . . . . . . 4167 1 188 . 1 1 66 66 VAL N N 15 121.995 0.1 . 1 . . . . . . . . 4167 1 189 . 1 1 67 67 PHE H H 1 8.128 0.02 . 1 . . . . . . . . 4167 1 190 . 1 1 67 67 PHE CA C 13 59.650 0.1 . 1 . . . . . . . . 4167 1 191 . 1 1 67 67 PHE N N 15 124.575 0.1 . 1 . . . . . . . . 4167 1 192 . 1 1 68 68 ASN H H 1 8.974 0.02 . 1 . . . . . . . . 4167 1 193 . 1 1 68 68 ASN CA C 13 54.409 0.1 . 1 . . . . . . . . 4167 1 194 . 1 1 68 68 ASN N N 15 118.396 0.1 . 1 . . . . . . . . 4167 1 195 . 1 1 69 69 GLU H H 1 8.021 0.02 . 1 . . . . . . . . 4167 1 196 . 1 1 69 69 GLU CA C 13 56.213 0.1 . 1 . . . . . . . . 4167 1 197 . 1 1 69 69 GLU N N 15 117.141 0.1 . 1 . . . . . . . . 4167 1 198 . 1 1 70 70 GLN H H 1 8.193 0.02 . 1 . . . . . . . . 4167 1 199 . 1 1 70 70 GLN CA C 13 54.229 0.1 . 1 . . . . . . . . 4167 1 200 . 1 1 70 70 GLN N N 15 122.577 0.1 . 1 . . . . . . . . 4167 1 201 . 1 1 71 71 PHE H H 1 9.088 0.02 . 1 . . . . . . . . 4167 1 202 . 1 1 71 71 PHE CA C 13 55.639 0.1 . 1 . . . . . . . . 4167 1 203 . 1 1 71 71 PHE N N 15 125.298 0.1 . 1 . . . . . . . . 4167 1 204 . 1 1 72 72 THR H H 1 7.788 0.02 . 1 . . . . . . . . 4167 1 205 . 1 1 72 72 THR CA C 13 59.890 0.1 . 1 . . . . . . . . 4167 1 206 . 1 1 72 72 THR N N 15 115.133 0.1 . 1 . . . . . . . . 4167 1 207 . 1 1 73 73 PHE H H 1 9.036 0.02 . 1 . . . . . . . . 4167 1 208 . 1 1 73 73 PHE CA C 13 56.518 0.1 . 1 . . . . . . . . 4167 1 209 . 1 1 73 73 PHE N N 15 121.986 0.1 . 1 . . . . . . . . 4167 1 210 . 1 1 74 74 LYS H H 1 9.119 0.02 . 1 . . . . . . . . 4167 1 211 . 1 1 74 74 LYS CA C 13 56.590 0.1 . 1 . . . . . . . . 4167 1 212 . 1 1 74 74 LYS N N 15 128.777 0.1 . 1 . . . . . . . . 4167 1 213 . 1 1 75 75 VAL H H 1 7.616 0.02 . 1 . . . . . . . . 4167 1 214 . 1 1 75 75 VAL CA C 13 58.153 0.1 . 1 . . . . . . . . 4167 1 215 . 1 1 75 75 VAL N N 15 127.713 0.1 . 1 . . . . . . . . 4167 1 216 . 1 1 76 76 PRO CA C 13 62.869 0.1 . 1 . . . . . . . . 4167 1 217 . 1 1 77 77 TYR H H 1 8.650 0.02 . 1 . . . . . . . . 4167 1 218 . 1 1 77 77 TYR CA C 13 62.145 0.1 . 1 . . . . . . . . 4167 1 219 . 1 1 77 77 TYR N N 15 129.649 0.1 . 1 . . . . . . . . 4167 1 220 . 1 1 78 78 SER H H 1 8.538 0.02 . 1 . . . . . . . . 4167 1 221 . 1 1 78 78 SER CA C 13 60.424 0.1 . 1 . . . . . . . . 4167 1 222 . 1 1 78 78 SER N N 15 111.787 0.1 . 1 . . . . . . . . 4167 1 223 . 1 1 79 79 GLU H H 1 7.471 0.02 . 1 . . . . . . . . 4167 1 224 . 1 1 79 79 GLU CA C 13 55.658 0.1 . 1 . . . . . . . . 4167 1 225 . 1 1 79 79 GLU N N 15 120.159 0.1 . 1 . . . . . . . . 4167 1 226 . 1 1 80 80 LEU H H 1 7.374 0.02 . 1 . . . . . . . . 4167 1 227 . 1 1 80 80 LEU CA C 13 57.747 0.1 . 1 . . . . . . . . 4167 1 228 . 1 1 80 80 LEU N N 15 122.785 0.1 . 1 . . . . . . . . 4167 1 229 . 1 1 81 81 GLY H H 1 7.920 0.02 . 1 . . . . . . . . 4167 1 230 . 1 1 81 81 GLY CA C 13 47.083 0.1 . 1 . . . . . . . . 4167 1 231 . 1 1 81 81 GLY N N 15 103.983 0.1 . 1 . . . . . . . . 4167 1 232 . 1 1 82 82 GLY H H 1 7.461 0.02 . 1 . . . . . . . . 4167 1 233 . 1 1 82 82 GLY CA C 13 44.807 0.1 . 1 . . . . . . . . 4167 1 234 . 1 1 82 82 GLY N N 15 107.072 0.1 . 1 . . . . . . . . 4167 1 235 . 1 1 83 83 LYS H H 1 7.948 0.02 . 1 . . . . . . . . 4167 1 236 . 1 1 83 83 LYS CA C 13 54.245 0.1 . 1 . . . . . . . . 4167 1 237 . 1 1 83 83 LYS N N 15 120.088 0.1 . 1 . . . . . . . . 4167 1 238 . 1 1 84 84 THR H H 1 8.339 0.02 . 1 . . . . . . . . 4167 1 239 . 1 1 84 84 THR CA C 13 62.234 0.1 . 1 . . . . . . . . 4167 1 240 . 1 1 84 84 THR N N 15 119.508 0.1 . 1 . . . . . . . . 4167 1 241 . 1 1 85 85 LEU H H 1 8.487 0.02 . 1 . . . . . . . . 4167 1 242 . 1 1 85 85 LEU CA C 13 54.461 0.1 . 1 . . . . . . . . 4167 1 243 . 1 1 85 85 LEU N N 15 131.652 0.1 . 1 . . . . . . . . 4167 1 244 . 1 1 86 86 VAL H H 1 8.842 0.02 . 1 . . . . . . . . 4167 1 245 . 1 1 86 86 VAL CA C 13 61.612 0.1 . 1 . . . . . . . . 4167 1 246 . 1 1 86 86 VAL N N 15 128.935 0.1 . 1 . . . . . . . . 4167 1 247 . 1 1 87 87 MET H H 1 7.613 0.02 . 1 . . . . . . . . 4167 1 248 . 1 1 87 87 MET CA C 13 54.109 0.1 . 1 . . . . . . . . 4167 1 249 . 1 1 87 87 MET N N 15 123.593 0.1 . 1 . . . . . . . . 4167 1 250 . 1 1 88 88 ALA H H 1 8.926 0.02 . 1 . . . . . . . . 4167 1 251 . 1 1 88 88 ALA CA C 13 50.525 0.1 . 1 . . . . . . . . 4167 1 252 . 1 1 88 88 ALA N N 15 125.945 0.1 . 1 . . . . . . . . 4167 1 253 . 1 1 89 89 VAL H H 1 8.947 0.02 . 1 . . . . . . . . 4167 1 254 . 1 1 89 89 VAL CA C 13 61.099 0.1 . 1 . . . . . . . . 4167 1 255 . 1 1 89 89 VAL N N 15 123.987 0.1 . 1 . . . . . . . . 4167 1 256 . 1 1 90 90 TYR H H 1 8.849 0.02 . 1 . . . . . . . . 4167 1 257 . 1 1 90 90 TYR CA C 13 56.765 0.1 . 1 . . . . . . . . 4167 1 258 . 1 1 90 90 TYR N N 15 127.770 0.1 . 1 . . . . . . . . 4167 1 259 . 1 1 91 91 ASP H H 1 9.056 0.02 . 1 . . . . . . . . 4167 1 260 . 1 1 91 91 ASP CA C 13 52.090 0.1 . 1 . . . . . . . . 4167 1 261 . 1 1 91 91 ASP N N 15 118.181 0.1 . 1 . . . . . . . . 4167 1 262 . 1 1 92 92 PHE H H 1 9.277 0.02 . 1 . . . . . . . . 4167 1 263 . 1 1 92 92 PHE CA C 13 60.464 0.1 . 1 . . . . . . . . 4167 1 264 . 1 1 92 92 PHE N N 15 126.938 0.1 . 1 . . . . . . . . 4167 1 265 . 1 1 93 93 ASP H H 1 6.240 0.02 . 1 . . . . . . . . 4167 1 266 . 1 1 93 93 ASP CA C 13 53.041 0.1 . 1 . . . . . . . . 4167 1 267 . 1 1 93 93 ASP N N 15 131.898 0.1 . 1 . . . . . . . . 4167 1 268 . 1 1 94 94 ARG H H 1 8.352 0.02 . 1 . . . . . . . . 4167 1 269 . 1 1 94 94 ARG CA C 13 57.942 0.1 . 1 . . . . . . . . 4167 1 270 . 1 1 94 94 ARG N N 15 121.800 0.1 . 1 . . . . . . . . 4167 1 271 . 1 1 95 95 PHE H H 1 8.405 0.02 . 1 . . . . . . . . 4167 1 272 . 1 1 95 95 PHE CA C 13 57.681 0.1 . 1 . . . . . . . . 4167 1 273 . 1 1 95 95 PHE N N 15 117.302 0.1 . 1 . . . . . . . . 4167 1 274 . 1 1 96 96 SER H H 1 7.597 0.02 . 1 . . . . . . . . 4167 1 275 . 1 1 96 96 SER CA C 13 57.064 0.1 . 1 . . . . . . . . 4167 1 276 . 1 1 96 96 SER N N 15 113.851 0.1 . 1 . . . . . . . . 4167 1 277 . 1 1 97 97 LYS H H 1 8.048 0.02 . 1 . . . . . . . . 4167 1 278 . 1 1 97 97 LYS CA C 13 56.815 0.1 . 1 . . . . . . . . 4167 1 279 . 1 1 97 97 LYS N N 15 121.517 0.1 . 1 . . . . . . . . 4167 1 280 . 1 1 98 98 HIS H H 1 8.578 0.02 . 1 . . . . . . . . 4167 1 281 . 1 1 98 98 HIS CA C 13 54.745 0.1 . 1 . . . . . . . . 4167 1 282 . 1 1 98 98 HIS N N 15 125.320 0.1 . 1 . . . . . . . . 4167 1 283 . 1 1 99 99 ASP H H 1 8.353 0.02 . 1 . . . . . . . . 4167 1 284 . 1 1 99 99 ASP CA C 13 54.293 0.1 . 1 . . . . . . . . 4167 1 285 . 1 1 99 99 ASP N N 15 125.109 0.1 . 1 . . . . . . . . 4167 1 286 . 1 1 100 100 ILE H H 1 8.493 0.02 . 1 . . . . . . . . 4167 1 287 . 1 1 100 100 ILE CA C 13 61.099 0.1 . 1 . . . . . . . . 4167 1 288 . 1 1 100 100 ILE N N 15 124.784 0.1 . 1 . . . . . . . . 4167 1 289 . 1 1 101 101 ILE H H 1 8.849 0.02 . 1 . . . . . . . . 4167 1 290 . 1 1 101 101 ILE CA C 13 63.885 0.1 . 1 . . . . . . . . 4167 1 291 . 1 1 101 101 ILE N N 15 127.770 0.1 . 1 . . . . . . . . 4167 1 292 . 1 1 102 102 GLY H H 1 7.331 0.02 . 1 . . . . . . . . 4167 1 293 . 1 1 102 102 GLY CA C 13 45.692 0.1 . 1 . . . . . . . . 4167 1 294 . 1 1 102 102 GLY N N 15 102.369 0.1 . 1 . . . . . . . . 4167 1 295 . 1 1 103 103 GLU H H 1 9.478 0.02 . 1 . . . . . . . . 4167 1 296 . 1 1 103 103 GLU CA C 13 54.548 0.1 . 1 . . . . . . . . 4167 1 297 . 1 1 103 103 GLU N N 15 118.406 0.1 . 1 . . . . . . . . 4167 1 298 . 1 1 104 104 PHE H H 1 8.592 0.02 . 1 . . . . . . . . 4167 1 299 . 1 1 104 104 PHE CA C 13 58.614 0.1 . 1 . . . . . . . . 4167 1 300 . 1 1 104 104 PHE N N 15 117.413 0.1 . 1 . . . . . . . . 4167 1 301 . 1 1 105 105 LYS H H 1 7.758 0.02 . 1 . . . . . . . . 4167 1 302 . 1 1 105 105 LYS CA C 13 54.161 0.1 . 1 . . . . . . . . 4167 1 303 . 1 1 105 105 LYS N N 15 120.750 0.1 . 1 . . . . . . . . 4167 1 304 . 1 1 106 106 VAL H H 1 9.293 0.02 . 1 . . . . . . . . 4167 1 305 . 1 1 106 106 VAL CA C 13 58.869 0.1 . 1 . . . . . . . . 4167 1 306 . 1 1 106 106 VAL N N 15 122.383 0.1 . 1 . . . . . . . . 4167 1 307 . 1 1 107 107 PRO CA C 13 62.610 0.1 . 1 . . . . . . . . 4167 1 308 . 1 1 108 108 MET H H 1 8.790 0.02 . 1 . . . . . . . . 4167 1 309 . 1 1 108 108 MET CA C 13 57.097 0.1 . 1 . . . . . . . . 4167 1 310 . 1 1 108 108 MET N N 15 127.608 0.1 . 1 . . . . . . . . 4167 1 311 . 1 1 109 109 ASN H H 1 8.401 0.02 . 1 . . . . . . . . 4167 1 312 . 1 1 109 109 ASN CA C 13 54.444 0.1 . 1 . . . . . . . . 4167 1 313 . 1 1 109 109 ASN N N 15 116.701 0.1 . 1 . . . . . . . . 4167 1 314 . 1 1 110 110 THR H H 1 7.598 0.02 . 1 . . . . . . . . 4167 1 315 . 1 1 110 110 THR CA C 13 61.485 0.1 . 1 . . . . . . . . 4167 1 316 . 1 1 110 110 THR N N 15 108.850 0.1 . 1 . . . . . . . . 4167 1 317 . 1 1 111 111 VAL H H 1 7.032 0.02 . 1 . . . . . . . . 4167 1 318 . 1 1 111 111 VAL CA C 13 62.186 0.1 . 1 . . . . . . . . 4167 1 319 . 1 1 111 111 VAL N N 15 124.753 0.1 . 1 . . . . . . . . 4167 1 320 . 1 1 112 112 ASP H H 1 8.379 0.02 . 1 . . . . . . . . 4167 1 321 . 1 1 112 112 ASP CA C 13 52.195 0.1 . 1 . . . . . . . . 4167 1 322 . 1 1 112 112 ASP N N 15 127.464 0.1 . 1 . . . . . . . . 4167 1 323 . 1 1 113 113 PHE H H 1 8.434 0.02 . 1 . . . . . . . . 4167 1 324 . 1 1 113 113 PHE CA C 13 60.277 0.1 . 1 . . . . . . . . 4167 1 325 . 1 1 113 113 PHE N N 15 123.766 0.1 . 1 . . . . . . . . 4167 1 326 . 1 1 114 114 GLY H H 1 9.010 0.02 . 1 . . . . . . . . 4167 1 327 . 1 1 114 114 GLY CA C 13 46.128 0.1 . 1 . . . . . . . . 4167 1 328 . 1 1 114 114 GLY N N 15 109.827 0.1 . 1 . . . . . . . . 4167 1 329 . 1 1 115 115 HIS H H 1 7.583 0.02 . 1 . . . . . . . . 4167 1 330 . 1 1 115 115 HIS CA C 13 54.035 0.1 . 1 . . . . . . . . 4167 1 331 . 1 1 115 115 HIS N N 15 116.350 0.1 . 1 . . . . . . . . 4167 1 332 . 1 1 116 116 VAL H H 1 8.492 0.02 . 1 . . . . . . . . 4167 1 333 . 1 1 116 116 VAL CA C 13 63.301 0.1 . 1 . . . . . . . . 4167 1 334 . 1 1 116 116 VAL N N 15 123.384 0.1 . 1 . . . . . . . . 4167 1 335 . 1 1 117 117 THR H H 1 8.591 0.02 . 1 . . . . . . . . 4167 1 336 . 1 1 117 117 THR CA C 13 61.998 0.1 . 1 . . . . . . . . 4167 1 337 . 1 1 117 117 THR N N 15 125.673 0.1 . 1 . . . . . . . . 4167 1 338 . 1 1 118 118 GLU H H 1 8.424 0.02 . 1 . . . . . . . . 4167 1 339 . 1 1 118 118 GLU CA C 13 55.556 0.1 . 1 . . . . . . . . 4167 1 340 . 1 1 118 118 GLU N N 15 127.110 0.1 . 1 . . . . . . . . 4167 1 341 . 1 1 119 119 GLU H H 1 8.152 0.02 . 1 . . . . . . . . 4167 1 342 . 1 1 119 119 GLU CA C 13 54.741 0.1 . 1 . . . . . . . . 4167 1 343 . 1 1 119 119 GLU N N 15 124.087 0.1 . 1 . . . . . . . . 4167 1 344 . 1 1 120 120 TRP H H 1 8.269 0.02 . 1 . . . . . . . . 4167 1 345 . 1 1 120 120 TRP CA C 13 56.168 0.1 . 1 . . . . . . . . 4167 1 346 . 1 1 120 120 TRP N N 15 119.755 0.1 . 1 . . . . . . . . 4167 1 347 . 1 1 121 121 ARG H H 1 9.111 0.02 . 1 . . . . . . . . 4167 1 348 . 1 1 121 121 ARG CA C 13 53.897 0.1 . 1 . . . . . . . . 4167 1 349 . 1 1 121 121 ARG N N 15 122.279 0.1 . 1 . . . . . . . . 4167 1 350 . 1 1 122 122 ASP H H 1 8.244 0.02 . 1 . . . . . . . . 4167 1 351 . 1 1 122 122 ASP CA C 13 54.341 0.1 . 1 . . . . . . . . 4167 1 352 . 1 1 122 122 ASP N N 15 122.900 0.1 . 1 . . . . . . . . 4167 1 353 . 1 1 123 123 LEU H H 1 8.426 0.02 . 1 . . . . . . . . 4167 1 354 . 1 1 123 123 LEU CA C 13 55.377 0.1 . 1 . . . . . . . . 4167 1 355 . 1 1 123 123 LEU N N 15 122.288 0.1 . 1 . . . . . . . . 4167 1 356 . 1 1 124 124 GLN H H 1 9.049 0.02 . 1 . . . . . . . . 4167 1 357 . 1 1 124 124 GLN CA C 13 53.690 0.1 . 1 . . . . . . . . 4167 1 358 . 1 1 124 124 GLN N N 15 120.053 0.1 . 1 . . . . . . . . 4167 1 359 . 1 1 125 125 SER H H 1 8.517 0.02 . 1 . . . . . . . . 4167 1 360 . 1 1 125 125 SER CA C 13 58.697 0.1 . 1 . . . . . . . . 4167 1 361 . 1 1 125 125 SER N N 15 116.305 0.1 . 1 . . . . . . . . 4167 1 362 . 1 1 126 126 ALA H H 1 8.690 0.02 . 1 . . . . . . . . 4167 1 363 . 1 1 126 126 ALA CA C 13 51.927 0.1 . 1 . . . . . . . . 4167 1 364 . 1 1 126 126 ALA N N 15 128.390 0.1 . 1 . . . . . . . . 4167 1 365 . 1 1 127 127 GLU H H 1 8.286 0.02 . 1 . . . . . . . . 4167 1 366 . 1 1 127 127 GLU CA C 13 56.598 0.1 . 1 . . . . . . . . 4167 1 367 . 1 1 127 127 GLU N N 15 122.009 0.1 . 1 . . . . . . . . 4167 1 368 . 1 1 128 128 LYS H H 1 7.898 0.02 . 1 . . . . . . . . 4167 1 369 . 1 1 128 128 LYS CA C 13 57.679 0.1 . 1 . . . . . . . . 4167 1 370 . 1 1 128 128 LYS N N 15 128.450 0.1 . 1 . . . . . . . . 4167 1 stop_ save_