################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18683 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D 1H-15N NOESY' . . . 18683 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 2 2 ARG H H 1 9.6 . . . . . . . 2 ARG H . 18683 1 2 . 1 1 2 2 ARG N N 15 124.43 . . . . . . . 2 ARG N . 18683 1 3 . 1 1 3 3 ILE H H 1 8.58 . . . . . . . 3 ILE H . 18683 1 4 . 1 1 3 3 ILE N N 15 121.76 . . . . . . . 3 ILE N . 18683 1 5 . 1 1 4 4 ILE H H 1 8.61 . . . . . . . 4 ILE H . 18683 1 6 . 1 1 4 4 ILE N N 15 123.04 . . . . . . . 4 ILE N . 18683 1 7 . 1 1 5 5 LEU H H 1 8.1 . . . . . . . 5 LEU H . 18683 1 8 . 1 1 5 5 LEU N N 15 125.82 . . . . . . . 5 LEU N . 18683 1 9 . 1 1 6 6 LEU H H 1 9.44 . . . . . . . 6 LEU H . 18683 1 10 . 1 1 6 6 LEU N N 15 125.94 . . . . . . . 6 LEU N . 18683 1 11 . 1 1 7 7 GLY H H 1 8.07 . . . . . . . 7 GLY H . 18683 1 12 . 1 1 7 7 GLY N N 15 105.43 . . . . . . . 7 GLY N . 18683 1 13 . 1 1 8 8 ALA H H 1 9.26 . . . . . . . 8 ALA H . 18683 1 14 . 1 1 8 8 ALA N N 15 123.82 . . . . . . . 8 ALA N . 18683 1 15 . 1 1 10 10 GLY H H 1 8.3 . . . . . . . 10 GLY H . 18683 1 16 . 1 1 10 10 GLY N N 15 108.56 . . . . . . . 10 GLY N . 18683 1 17 . 1 1 11 11 ALA H H 1 8.19 . . . . . . . 11 ALA H . 18683 1 18 . 1 1 11 11 ALA N N 15 118.4 . . . . . . . 11 ALA N . 18683 1 19 . 1 1 13 13 LYS H H 1 8.09 . . . . . . . 13 LYS H . 18683 1 20 . 1 1 13 13 LYS N N 15 117.85 . . . . . . . 13 LYS N . 18683 1 21 . 1 1 16 16 GLN H H 1 6.99 . . . . . . . 16 GLN H . 18683 1 22 . 1 1 16 16 GLN N N 15 114.71 . . . . . . . 16 GLN N . 18683 1 23 . 1 1 17 17 ALA H H 1 8.02 . . . . . . . 17 ALA H . 18683 1 24 . 1 1 17 17 ALA N N 15 119.57 . . . . . . . 17 ALA N . 18683 1 25 . 1 1 18 18 GLN H H 1 7.66 . . . . . . . 18 GLN H . 18683 1 26 . 1 1 18 18 GLN N N 15 111.94 . . . . . . . 18 GLN N . 18683 1 27 . 1 1 19 19 PHE H H 1 6.97 . . . . . . . 19 PHE H . 18683 1 28 . 1 1 19 19 PHE N N 15 115.78 . . . . . . . 19 PHE N . 18683 1 29 . 1 1 20 20 ILE H H 1 7.94 . . . . . . . 20 ILE H . 18683 1 30 . 1 1 20 20 ILE N N 15 117.18 . . . . . . . 20 ILE N . 18683 1 31 . 1 1 21 21 MET H H 1 8.39 . . . . . . . 21 MET H . 18683 1 32 . 1 1 21 21 MET N N 15 115.26 . . . . . . . 21 MET N . 18683 1 33 . 1 1 22 22 GLU H H 1 7.84 . . . . . . . 22 GLU H . 18683 1 34 . 1 1 22 22 GLU N N 15 114.45 . . . . . . . 22 GLU N . 18683 1 35 . 1 1 23 23 LYS H H 1 8.26 . . . . . . . 23 LYS H . 18683 1 36 . 1 1 23 23 LYS N N 15 117.46 . . . . . . . 23 LYS N . 18683 1 37 . 1 1 24 24 TYR H H 1 7.68 . . . . . . . 24 TYR H . 18683 1 38 . 1 1 24 24 TYR N N 15 109.44 . . . . . . . 24 TYR N . 18683 1 39 . 1 1 25 25 GLY H H 1 7.7 . . . . . . . 25 GLY H . 18683 1 40 . 1 1 25 25 GLY N N 15 108.54 . . . . . . . 25 GLY N . 18683 1 41 . 1 1 26 26 ILE H H 1 7.3 . . . . . . . 26 ILE H . 18683 1 42 . 1 1 26 26 ILE N N 15 108.32 . . . . . . . 26 ILE N . 18683 1 43 . 1 1 28 28 GLN H H 1 8.26 . . . . . . . 28 GLN H . 18683 1 44 . 1 1 28 28 GLN N N 15 116.04 . . . . . . . 28 GLN N . 18683 1 45 . 1 1 29 29 ILE H H 1 9.35 . . . . . . . 29 ILE H . 18683 1 46 . 1 1 29 29 ILE N N 15 124.1 . . . . . . . 29 ILE N . 18683 1 47 . 1 1 30 30 SER H H 1 8.27 . . . . . . . 30 SER H . 18683 1 48 . 1 1 30 30 SER N N 15 117.03 . . . . . . . 30 SER N . 18683 1 49 . 1 1 31 31 THR H H 1 9.3 . . . . . . . 31 THR H . 18683 1 50 . 1 1 31 31 THR N N 15 115.22 . . . . . . . 31 THR N . 18683 1 51 . 1 1 32 32 GLY H H 1 8.69 . . . . . . . 32 GLY H . 18683 1 52 . 1 1 32 32 GLY N N 15 107.05 . . . . . . . 32 GLY N . 18683 1 53 . 1 1 33 33 ASP H H 1 7.44 . . . . . . . 33 ASP H . 18683 1 54 . 1 1 33 33 ASP N N 15 118.53 . . . . . . . 33 ASP N . 18683 1 55 . 1 1 34 34 MET H H 1 8.16 . . . . . . . 34 MET H . 18683 1 56 . 1 1 34 34 MET N N 15 117.48 . . . . . . . 34 MET N . 18683 1 57 . 1 1 35 35 LEU H H 1 8.41 . . . . . . . 35 LEU H . 18683 1 58 . 1 1 35 35 LEU N N 15 118.45 . . . . . . . 35 LEU N . 18683 1 59 . 1 1 36 36 ARG H H 1 7.68 . . . . . . . 36 ARG H . 18683 1 60 . 1 1 36 36 ARG N N 15 114.77 . . . . . . . 36 ARG N . 18683 1 61 . 1 1 37 37 ALA H H 1 8.01 . . . . . . . 37 ALA H . 18683 1 62 . 1 1 37 37 ALA N N 15 117.23 . . . . . . . 37 ALA N . 18683 1 63 . 1 1 38 38 ALA H H 1 8.08 . . . . . . . 38 ALA H . 18683 1 64 . 1 1 38 38 ALA N N 15 119 . . . . . . . 38 ALA N . 18683 1 65 . 1 1 39 39 VAL H H 1 8.05 . . . . . . . 39 VAL H . 18683 1 66 . 1 1 39 39 VAL N N 15 113.86 . . . . . . . 39 VAL N . 18683 1 67 . 1 1 40 40 LYS H H 1 7.66 . . . . . . . 40 LYS H . 18683 1 68 . 1 1 40 40 LYS N N 15 116.24 . . . . . . . 40 LYS N . 18683 1 69 . 1 1 41 41 SER H H 1 7.9 . . . . . . . 41 SER H . 18683 1 70 . 1 1 41 41 SER N N 15 110.65 . . . . . . . 41 SER N . 18683 1 71 . 1 1 42 42 GLY H H 1 7.89 . . . . . . . 42 GLY H . 18683 1 72 . 1 1 42 42 GLY N N 15 106.83 . . . . . . . 42 GLY N . 18683 1 73 . 1 1 43 43 SER H H 1 7.84 . . . . . . . 43 SER H . 18683 1 74 . 1 1 43 43 SER N N 15 112.47 . . . . . . . 43 SER N . 18683 1 75 . 1 1 44 44 GLU H H 1 8.95 . . . . . . . 44 GLU H . 18683 1 76 . 1 1 44 44 GLU N N 15 119.79 . . . . . . . 44 GLU N . 18683 1 77 . 1 1 45 45 LEU H H 1 8.47 . . . . . . . 45 LEU H . 18683 1 78 . 1 1 45 45 LEU N N 15 116.33 . . . . . . . 45 LEU N . 18683 1 79 . 1 1 46 46 GLY H H 1 8.1 . . . . . . . 46 GLY H . 18683 1 80 . 1 1 46 46 GLY N N 15 105.03 . . . . . . . 46 GLY N . 18683 1 81 . 1 1 47 47 LYS H H 1 8.36 . . . . . . . 47 LYS H . 18683 1 82 . 1 1 47 47 LYS N N 15 119.33 . . . . . . . 47 LYS N . 18683 1 83 . 1 1 48 48 GLN H H 1 7.58 . . . . . . . 48 GLN H . 18683 1 84 . 1 1 48 48 GLN N N 15 115.78 . . . . . . . 48 GLN N . 18683 1 85 . 1 1 49 49 ALA H H 1 8.32 . . . . . . . 49 ALA H . 18683 1 86 . 1 1 49 49 ALA N N 15 117.74 . . . . . . . 49 ALA N . 18683 1 87 . 1 1 50 50 LYS H H 1 8.43 . . . . . . . 50 LYS H . 18683 1 88 . 1 1 50 50 LYS N N 15 116.68 . . . . . . . 50 LYS N . 18683 1 89 . 1 1 51 51 ASP H H 1 7.97 . . . . . . . 51 ASP H . 18683 1 90 . 1 1 51 51 ASP N N 15 115.44 . . . . . . . 51 ASP N . 18683 1 91 . 1 1 52 52 ILE H H 1 7.55 . . . . . . . 52 ILE H . 18683 1 92 . 1 1 52 52 ILE N N 15 118 . . . . . . . 52 ILE N . 18683 1 93 . 1 1 53 53 MET H H 1 8.36 . . . . . . . 53 MET H . 18683 1 94 . 1 1 53 53 MET N N 15 116.41 . . . . . . . 53 MET N . 18683 1 95 . 1 1 54 54 ASP H H 1 9.25 . . . . . . . 54 ASP H . 18683 1 96 . 1 1 54 54 ASP N N 15 119.2 . . . . . . . 54 ASP N . 18683 1 97 . 1 1 55 55 ALA H H 1 7.29 . . . . . . . 55 ALA H . 18683 1 98 . 1 1 55 55 ALA N N 15 116.85 . . . . . . . 55 ALA N . 18683 1 99 . 1 1 56 56 GLY H H 1 8.02 . . . . . . . 56 GLY H . 18683 1 100 . 1 1 56 56 GLY N N 15 104.75 . . . . . . . 56 GLY N . 18683 1 101 . 1 1 57 57 LYS H H 1 7.52 . . . . . . . 57 LYS H . 18683 1 102 . 1 1 57 57 LYS N N 15 116.39 . . . . . . . 57 LYS N . 18683 1 103 . 1 1 58 58 LEU H H 1 7.89 . . . . . . . 58 LEU H . 18683 1 104 . 1 1 58 58 LEU N N 15 116.4 . . . . . . . 58 LEU N . 18683 1 105 . 1 1 59 59 VAL H H 1 8.29 . . . . . . . 59 VAL H . 18683 1 106 . 1 1 59 59 VAL N N 15 118.59 . . . . . . . 59 VAL N . 18683 1 107 . 1 1 60 60 THR H H 1 7.05 . . . . . . . 60 THR H . 18683 1 108 . 1 1 60 60 THR N N 15 113.64 . . . . . . . 60 THR N . 18683 1 109 . 1 1 61 61 ASP H H 1 8.92 . . . . . . . 61 ASP H . 18683 1 110 . 1 1 61 61 ASP N N 15 118.94 . . . . . . . 61 ASP N . 18683 1 111 . 1 1 62 62 GLU H H 1 8.74 . . . . . . . 62 GLU H . 18683 1 112 . 1 1 62 62 GLU N N 15 114.22 . . . . . . . 62 GLU N . 18683 1 113 . 1 1 63 63 LEU H H 1 7.45 . . . . . . . 63 LEU H . 18683 1 114 . 1 1 63 63 LEU N N 15 119.47 . . . . . . . 63 LEU N . 18683 1 115 . 1 1 64 64 VAL H H 1 7.93 . . . . . . . 64 VAL H . 18683 1 116 . 1 1 64 64 VAL N N 15 115.59 . . . . . . . 64 VAL N . 18683 1 117 . 1 1 65 65 ILE H H 1 8.36 . . . . . . . 65 ILE H . 18683 1 118 . 1 1 65 65 ILE N N 15 115.97 . . . . . . . 65 ILE N . 18683 1 119 . 1 1 66 66 ALA H H 1 7.56 . . . . . . . 66 ALA H . 18683 1 120 . 1 1 66 66 ALA N N 15 119.57 . . . . . . . 66 ALA N . 18683 1 121 . 1 1 67 67 LEU H H 1 8.27 . . . . . . . 67 LEU H . 18683 1 122 . 1 1 67 67 LEU N N 15 116.93 . . . . . . . 67 LEU N . 18683 1 123 . 1 1 68 68 VAL H H 1 8.52 . . . . . . . 68 VAL H . 18683 1 124 . 1 1 68 68 VAL N N 15 120.17 . . . . . . . 68 VAL N . 18683 1 125 . 1 1 69 69 LYS H H 1 8.35 . . . . . . . 69 LYS H . 18683 1 126 . 1 1 69 69 LYS N N 15 115.68 . . . . . . . 69 LYS N . 18683 1 127 . 1 1 70 70 GLU H H 1 7.47 . . . . . . . 70 GLU H . 18683 1 128 . 1 1 70 70 GLU N N 15 114.26 . . . . . . . 70 GLU N . 18683 1 129 . 1 1 71 71 ARG H H 1 8.19 . . . . . . . 71 ARG H . 18683 1 130 . 1 1 71 71 ARG N N 15 118.33 . . . . . . . 71 ARG N . 18683 1 131 . 1 1 72 72 ILE H H 1 8.22 . . . . . . . 72 ILE H . 18683 1 132 . 1 1 72 72 ILE N N 15 107.72 . . . . . . . 72 ILE N . 18683 1 133 . 1 1 73 73 ALA H H 1 7.05 . . . . . . . 73 ALA H . 18683 1 134 . 1 1 73 73 ALA N N 15 119.45 . . . . . . . 73 ALA N . 18683 1 135 . 1 1 74 74 GLN H H 1 7.26 . . . . . . . 74 GLN H . 18683 1 136 . 1 1 74 74 GLN N N 15 113.84 . . . . . . . 74 GLN N . 18683 1 137 . 1 1 75 75 GLU H H 1 8.98 . . . . . . . 75 GLU H . 18683 1 138 . 1 1 75 75 GLU N N 15 119.26 . . . . . . . 75 GLU N . 18683 1 139 . 1 1 76 76 ASP H H 1 8.48 . . . . . . . 76 ASP H . 18683 1 140 . 1 1 76 76 ASP N N 15 114.15 . . . . . . . 76 ASP N . 18683 1 141 . 1 1 77 77 CYS H H 1 7.73 . . . . . . . 77 CYS H . 18683 1 142 . 1 1 77 77 CYS N N 15 115.16 . . . . . . . 77 CYS N . 18683 1 143 . 1 1 78 78 ARG H H 1 7.68 . . . . . . . 78 ARG H . 18683 1 144 . 1 1 78 78 ARG N N 15 119.63 . . . . . . . 78 ARG N . 18683 1 145 . 1 1 79 79 ASN H H 1 8.92 . . . . . . . 79 ASN H . 18683 1 146 . 1 1 79 79 ASN N N 15 112 . . . . . . . 79 ASN N . 18683 1 147 . 1 1 80 80 GLY H H 1 7.69 . . . . . . . 80 GLY H . 18683 1 148 . 1 1 80 80 GLY N N 15 105.87 . . . . . . . 80 GLY N . 18683 1 149 . 1 1 81 81 PHE H H 1 7.44 . . . . . . . 81 PHE H . 18683 1 150 . 1 1 81 81 PHE N N 15 105.55 . . . . . . . 81 PHE N . 18683 1 151 . 1 1 82 82 LEU H H 1 8.85 . . . . . . . 82 LEU H . 18683 1 152 . 1 1 82 82 LEU N N 15 119.41 . . . . . . . 82 LEU N . 18683 1 153 . 1 1 83 83 LEU H H 1 9.49 . . . . . . . 83 LEU H . 18683 1 154 . 1 1 83 83 LEU N N 15 125 . . . . . . . 83 LEU N . 18683 1 155 . 1 1 84 84 ASP H H 1 8.71 . . . . . . . 84 ASP H . 18683 1 156 . 1 1 84 84 ASP N N 15 121.28 . . . . . . . 84 ASP N . 18683 1 157 . 1 1 85 85 GLY H H 1 8.96 . . . . . . . 85 GLY H . 18683 1 158 . 1 1 85 85 GLY N N 15 110.21 . . . . . . . 85 GLY N . 18683 1 159 . 1 1 86 86 PHE H H 1 7.37 . . . . . . . 86 PHE H . 18683 1 160 . 1 1 86 86 PHE N N 15 117.12 . . . . . . . 86 PHE N . 18683 1 161 . 1 1 88 88 ARG H H 1 8.63 . . . . . . . 88 ARG H . 18683 1 162 . 1 1 88 88 ARG N N 15 111.61 . . . . . . . 88 ARG N . 18683 1 163 . 1 1 89 89 THR H H 1 7.11 . . . . . . . 89 THR H . 18683 1 164 . 1 1 89 89 THR N N 15 104.08 . . . . . . . 89 THR N . 18683 1 165 . 1 1 90 90 ILE H H 1 9.02 . . . . . . . 90 ILE H . 18683 1 166 . 1 1 90 90 ILE N N 15 118.55 . . . . . . . 90 ILE N . 18683 1 167 . 1 1 92 92 GLN H H 1 7.27 . . . . . . . 92 GLN H . 18683 1 168 . 1 1 92 92 GLN N N 15 113.54 . . . . . . . 92 GLN N . 18683 1 169 . 1 1 93 93 ALA H H 1 7.74 . . . . . . . 93 ALA H . 18683 1 170 . 1 1 93 93 ALA N N 15 121.95 . . . . . . . 93 ALA N . 18683 1 171 . 1 1 94 94 ASP H H 1 8.8 . . . . . . . 94 ASP H . 18683 1 172 . 1 1 94 94 ASP N N 15 116.58 . . . . . . . 94 ASP N . 18683 1 173 . 1 1 95 95 ALA H H 1 8.09 . . . . . . . 95 ALA H . 18683 1 174 . 1 1 95 95 ALA N N 15 120.06 . . . . . . . 95 ALA N . 18683 1 175 . 1 1 97 97 LYS H H 1 7.58 . . . . . . . 97 LYS H . 18683 1 176 . 1 1 97 97 LYS N N 15 117.81 . . . . . . . 97 LYS N . 18683 1 177 . 1 1 98 98 GLU H H 1 8.46 . . . . . . . 98 GLU H . 18683 1 178 . 1 1 98 98 GLU N N 15 118.43 . . . . . . . 98 GLU N . 18683 1 179 . 1 1 99 99 ALA H H 1 7.56 . . . . . . . 99 ALA H . 18683 1 180 . 1 1 99 99 ALA N N 15 115.75 . . . . . . . 99 ALA N . 18683 1 181 . 1 1 100 100 GLY H H 1 7.86 . . . . . . . 100 GLY H . 18683 1 182 . 1 1 100 100 GLY N N 15 103.64 . . . . . . . 100 GLY N . 18683 1 183 . 1 1 101 101 ILE H H 1 8.11 . . . . . . . 101 ILE H . 18683 1 184 . 1 1 101 101 ILE N N 15 119.14 . . . . . . . 101 ILE N . 18683 1 185 . 1 1 102 102 ASN H H 1 7.9 . . . . . . . 102 ASN H . 18683 1 186 . 1 1 102 102 ASN N N 15 120.6 . . . . . . . 102 ASN N . 18683 1 187 . 1 1 103 103 VAL H H 1 8.37 . . . . . . . 103 VAL H . 18683 1 188 . 1 1 103 103 VAL N N 15 110.21 . . . . . . . 103 VAL N . 18683 1 189 . 1 1 104 104 ASP H H 1 8.58 . . . . . . . 104 ASP H . 18683 1 190 . 1 1 104 104 ASP N N 15 121.84 . . . . . . . 104 ASP N . 18683 1 191 . 1 1 105 105 TYR H H 1 7.62 . . . . . . . 105 TYR H . 18683 1 192 . 1 1 105 105 TYR N N 15 111.43 . . . . . . . 105 TYR N . 18683 1 193 . 1 1 106 106 VAL H H 1 8.98 . . . . . . . 106 VAL H . 18683 1 194 . 1 1 106 106 VAL N N 15 120.48 . . . . . . . 106 VAL N . 18683 1 195 . 1 1 107 107 LEU H H 1 8.9 . . . . . . . 107 LEU H . 18683 1 196 . 1 1 107 107 LEU N N 15 121.54 . . . . . . . 107 LEU N . 18683 1 197 . 1 1 108 108 GLU H H 1 8.81 . . . . . . . 108 GLU H . 18683 1 198 . 1 1 108 108 GLU N N 15 121.67 . . . . . . . 108 GLU N . 18683 1 199 . 1 1 109 109 PHE H H 1 9.26 . . . . . . . 109 PHE H . 18683 1 200 . 1 1 109 109 PHE N N 15 127.82 . . . . . . . 109 PHE N . 18683 1 201 . 1 1 110 110 ASP H H 1 8.72 . . . . . . . 110 ASP H . 18683 1 202 . 1 1 110 110 ASP N N 15 125.79 . . . . . . . 110 ASP N . 18683 1 203 . 1 1 111 111 VAL H H 1 7.38 . . . . . . . 111 VAL H . 18683 1 204 . 1 1 111 111 VAL N N 15 123.12 . . . . . . . 111 VAL N . 18683 1 205 . 1 1 113 113 ASP H H 1 8.86 . . . . . . . 113 ASP H . 18683 1 206 . 1 1 113 113 ASP N N 15 121.13 . . . . . . . 113 ASP N . 18683 1 207 . 1 1 114 114 GLU H H 1 8.99 . . . . . . . 114 GLU H . 18683 1 208 . 1 1 114 114 GLU N N 15 111.49 . . . . . . . 114 GLU N . 18683 1 209 . 1 1 115 115 LEU H H 1 7.09 . . . . . . . 115 LEU H . 18683 1 210 . 1 1 115 115 LEU N N 15 116.22 . . . . . . . 115 LEU N . 18683 1 211 . 1 1 116 116 ILE H H 1 7.41 . . . . . . . 116 ILE H . 18683 1 212 . 1 1 116 116 ILE N N 15 117.91 . . . . . . . 116 ILE N . 18683 1 213 . 1 1 117 117 VAL H H 1 8.29 . . . . . . . 117 VAL H . 18683 1 214 . 1 1 117 117 VAL N N 15 114.06 . . . . . . . 117 VAL N . 18683 1 215 . 1 1 118 118 ASP H H 1 7.75 . . . . . . . 118 ASP H . 18683 1 216 . 1 1 118 118 ASP N N 15 114.19 . . . . . . . 118 ASP N . 18683 1 217 . 1 1 119 119 ARG H H 1 8.08 . . . . . . . 119 ARG H . 18683 1 218 . 1 1 119 119 ARG N N 15 113.73 . . . . . . . 119 ARG N . 18683 1 219 . 1 1 120 120 ILE H H 1 8.01 . . . . . . . 120 ILE H . 18683 1 220 . 1 1 120 120 ILE N N 15 116.13 . . . . . . . 120 ILE N . 18683 1 221 . 1 1 121 121 VAL H H 1 8.93 . . . . . . . 121 VAL H . 18683 1 222 . 1 1 121 121 VAL N N 15 112.34 . . . . . . . 121 VAL N . 18683 1 223 . 1 1 122 122 GLY H H 1 7.42 . . . . . . . 122 GLY H . 18683 1 224 . 1 1 122 122 GLY N N 15 103.24 . . . . . . . 122 GLY N . 18683 1 225 . 1 1 123 123 ARG H H 1 7.68 . . . . . . . 123 ARG H . 18683 1 226 . 1 1 123 123 ARG N N 15 117.74 . . . . . . . 123 ARG N . 18683 1 227 . 1 1 124 124 ARG H H 1 8.85 . . . . . . . 124 ARG H . 18683 1 228 . 1 1 124 124 ARG N N 15 122.62 . . . . . . . 124 ARG N . 18683 1 229 . 1 1 125 125 VAL H H 1 9.3 . . . . . . . 125 VAL H . 18683 1 230 . 1 1 125 125 VAL N N 15 115.18 . . . . . . . 125 VAL N . 18683 1 231 . 1 1 126 126 HIS H H 1 9.18 . . . . . . . 126 HIS H . 18683 1 232 . 1 1 126 126 HIS N N 15 123.86 . . . . . . . 126 HIS N . 18683 1 233 . 1 1 127 127 ALA H H 1 9.05 . . . . . . . 127 ALA H . 18683 1 234 . 1 1 127 127 ALA N N 15 126.7 . . . . . . . 127 ALA N . 18683 1 235 . 1 1 129 129 SER H H 1 6.77 . . . . . . . 129 SER H . 18683 1 236 . 1 1 129 129 SER N N 15 104.48 . . . . . . . 129 SER N . 18683 1 237 . 1 1 130 130 GLY H H 1 8.59 . . . . . . . 130 GLY H . 18683 1 238 . 1 1 130 130 GLY N N 15 110.12 . . . . . . . 130 GLY N . 18683 1 239 . 1 1 131 131 ARG H H 1 8.45 . . . . . . . 131 ARG H . 18683 1 240 . 1 1 131 131 ARG N N 15 119.2 . . . . . . . 131 ARG N . 18683 1 241 . 1 1 132 132 VAL H H 1 7.91 . . . . . . . 132 VAL H . 18683 1 242 . 1 1 132 132 VAL N N 15 117.07 . . . . . . . 132 VAL N . 18683 1 243 . 1 1 133 133 TYR H H 1 9.21 . . . . . . . 133 TYR H . 18683 1 244 . 1 1 133 133 TYR N N 15 121.44 . . . . . . . 133 TYR N . 18683 1 245 . 1 1 134 134 HIS H H 1 8.4 . . . . . . . 134 HIS H . 18683 1 246 . 1 1 134 134 HIS N N 15 117.87 . . . . . . . 134 HIS N . 18683 1 247 . 1 1 135 135 VAL H H 1 8.18 . . . . . . . 135 VAL H . 18683 1 248 . 1 1 135 135 VAL N N 15 117.9 . . . . . . . 135 VAL N . 18683 1 249 . 1 1 136 136 LYS H H 1 9.52 . . . . . . . 136 LYS H . 18683 1 250 . 1 1 136 136 LYS N N 15 116.95 . . . . . . . 136 LYS N . 18683 1 251 . 1 1 137 137 PHE H H 1 8.14 . . . . . . . 137 PHE H . 18683 1 252 . 1 1 137 137 PHE N N 15 113.88 . . . . . . . 137 PHE N . 18683 1 253 . 1 1 138 138 ASN H H 1 8.61 . . . . . . . 138 ASN H . 18683 1 254 . 1 1 138 138 ASN N N 15 111.3 . . . . . . . 138 ASN N . 18683 1 255 . 1 1 141 141 LYS H H 1 10.09 . . . . . . . 141 LYS H . 18683 1 256 . 1 1 141 141 LYS N N 15 121.22 . . . . . . . 141 LYS N . 18683 1 257 . 1 1 142 142 VAL H H 1 8.82 . . . . . . . 142 VAL H . 18683 1 258 . 1 1 142 142 VAL N N 15 117.68 . . . . . . . 142 VAL N . 18683 1 259 . 1 1 143 143 GLU H H 1 8.13 . . . . . . . 143 GLU H . 18683 1 260 . 1 1 143 143 GLU N N 15 122.59 . . . . . . . 143 GLU N . 18683 1 261 . 1 1 144 144 GLY H H 1 8.87 . . . . . . . 144 GLY H . 18683 1 262 . 1 1 144 144 GLY N N 15 108.77 . . . . . . . 144 GLY N . 18683 1 263 . 1 1 145 145 LYS H H 1 7.96 . . . . . . . 145 LYS H . 18683 1 264 . 1 1 145 145 LYS N N 15 116.3 . . . . . . . 145 LYS N . 18683 1 265 . 1 1 146 146 ASP H H 1 9.03 . . . . . . . 146 ASP H . 18683 1 266 . 1 1 146 146 ASP N N 15 116.93 . . . . . . . 146 ASP N . 18683 1 267 . 1 1 147 147 ASP H H 1 7.87 . . . . . . . 147 ASP H . 18683 1 268 . 1 1 147 147 ASP N N 15 124.15 . . . . . . . 147 ASP N . 18683 1 269 . 1 1 148 148 VAL H H 1 6.33 . . . . . . . 148 VAL H . 18683 1 270 . 1 1 148 148 VAL N N 15 111.99 . . . . . . . 148 VAL N . 18683 1 271 . 1 1 149 149 THR H H 1 7.46 . . . . . . . 149 THR H . 18683 1 272 . 1 1 149 149 THR N N 15 102.51 . . . . . . . 149 THR N . 18683 1 273 . 1 1 150 150 GLY H H 1 7.84 . . . . . . . 150 GLY H . 18683 1 274 . 1 1 150 150 GLY N N 15 108.13 . . . . . . . 150 GLY N . 18683 1 275 . 1 1 151 151 GLU H H 1 7.65 . . . . . . . 151 GLU H . 18683 1 276 . 1 1 151 151 GLU N N 15 115.71 . . . . . . . 151 GLU N . 18683 1 277 . 1 1 152 152 GLU H H 1 8.67 . . . . . . . 152 GLU H . 18683 1 278 . 1 1 152 152 GLU N N 15 116.63 . . . . . . . 152 GLU N . 18683 1 279 . 1 1 153 153 LEU H H 1 7.89 . . . . . . . 153 LEU H . 18683 1 280 . 1 1 153 153 LEU N N 15 117.94 . . . . . . . 153 LEU N . 18683 1 281 . 1 1 154 154 THR H H 1 9.3 . . . . . . . 154 THR H . 18683 1 282 . 1 1 154 154 THR N N 15 111.36 . . . . . . . 154 THR N . 18683 1 283 . 1 1 155 155 THR H H 1 8.37 . . . . . . . 155 THR H . 18683 1 284 . 1 1 155 155 THR N N 15 112.96 . . . . . . . 155 THR N . 18683 1 285 . 1 1 156 156 ARG H H 1 9.79 . . . . . . . 156 ARG H . 18683 1 286 . 1 1 156 156 ARG N N 15 124.38 . . . . . . . 156 ARG N . 18683 1 287 . 1 1 157 157 LYS H H 1 8.85 . . . . . . . 157 LYS H . 18683 1 288 . 1 1 157 157 LYS N N 15 122.65 . . . . . . . 157 LYS N . 18683 1 289 . 1 1 158 158 ASP H H 1 8.36 . . . . . . . 158 ASP H . 18683 1 290 . 1 1 158 158 ASP N N 15 111.56 . . . . . . . 158 ASP N . 18683 1 291 . 1 1 159 159 ASP H H 1 7.42 . . . . . . . 159 ASP H . 18683 1 292 . 1 1 159 159 ASP N N 15 113.53 . . . . . . . 159 ASP N . 18683 1 293 . 1 1 160 160 GLN H H 1 7.02 . . . . . . . 160 GLN H . 18683 1 294 . 1 1 160 160 GLN N N 15 114.39 . . . . . . . 160 GLN N . 18683 1 295 . 1 1 161 161 GLU H H 1 9.19 . . . . . . . 161 GLU H . 18683 1 296 . 1 1 161 161 GLU N N 15 121.55 . . . . . . . 161 GLU N . 18683 1 297 . 1 1 162 162 GLU H H 1 9.24 . . . . . . . 162 GLU H . 18683 1 298 . 1 1 162 162 GLU N N 15 113.48 . . . . . . . 162 GLU N . 18683 1 299 . 1 1 163 163 THR H H 1 7.17 . . . . . . . 163 THR H . 18683 1 300 . 1 1 163 163 THR N N 15 113.3 . . . . . . . 163 THR N . 18683 1 301 . 1 1 164 164 VAL H H 1 8.22 . . . . . . . 164 VAL H . 18683 1 302 . 1 1 164 164 VAL N N 15 120.05 . . . . . . . 164 VAL N . 18683 1 303 . 1 1 165 165 ARG H H 1 8.75 . . . . . . . 165 ARG H . 18683 1 304 . 1 1 165 165 ARG N N 15 113.84 . . . . . . . 165 ARG N . 18683 1 305 . 1 1 166 166 LYS H H 1 7.72 . . . . . . . 166 LYS H . 18683 1 306 . 1 1 166 166 LYS N N 15 117.14 . . . . . . . 166 LYS N . 18683 1 307 . 1 1 167 167 ARG H H 1 8.02 . . . . . . . 167 ARG H . 18683 1 308 . 1 1 167 167 ARG N N 15 115.59 . . . . . . . 167 ARG N . 18683 1 309 . 1 1 168 168 LEU H H 1 8.1 . . . . . . . 168 LEU H . 18683 1 310 . 1 1 168 168 LEU N N 15 118.51 . . . . . . . 168 LEU N . 18683 1 311 . 1 1 170 170 GLU H H 1 7.96 . . . . . . . 170 GLU H . 18683 1 312 . 1 1 170 170 GLU N N 15 116.21 . . . . . . . 170 GLU N . 18683 1 313 . 1 1 171 171 TYR H H 1 8.15 . . . . . . . 171 TYR H . 18683 1 314 . 1 1 171 171 TYR N N 15 117.19 . . . . . . . 171 TYR N . 18683 1 315 . 1 1 172 172 HIS H H 1 8.84 . . . . . . . 172 HIS H . 18683 1 316 . 1 1 172 172 HIS N N 15 117.95 . . . . . . . 172 HIS N . 18683 1 317 . 1 1 173 173 GLN H H 1 8.51 . . . . . . . 173 GLN H . 18683 1 318 . 1 1 173 173 GLN N N 15 115.84 . . . . . . . 173 GLN N . 18683 1 319 . 1 1 174 174 MET H H 1 7.72 . . . . . . . 174 MET H . 18683 1 320 . 1 1 174 174 MET N N 15 112.46 . . . . . . . 174 MET N . 18683 1 321 . 1 1 175 175 THR H H 1 8.23 . . . . . . . 175 THR H . 18683 1 322 . 1 1 175 175 THR N N 15 110.65 . . . . . . . 175 THR N . 18683 1 323 . 1 1 176 176 ALA H H 1 8.47 . . . . . . . 176 ALA H . 18683 1 324 . 1 1 176 176 ALA N N 15 123.13 . . . . . . . 176 ALA N . 18683 1 325 . 1 1 178 178 LEU H H 1 6.91 . . . . . . . 178 LEU H . 18683 1 326 . 1 1 178 178 LEU N N 15 116.15 . . . . . . . 178 LEU N . 18683 1 327 . 1 1 179 179 ILE H H 1 8.44 . . . . . . . 179 ILE H . 18683 1 328 . 1 1 179 179 ILE N N 15 118.09 . . . . . . . 179 ILE N . 18683 1 329 . 1 1 180 180 GLY H H 1 7.88 . . . . . . . 180 GLY H . 18683 1 330 . 1 1 180 180 GLY N N 15 104.66 . . . . . . . 180 GLY N . 18683 1 331 . 1 1 181 181 TYR H H 1 7.92 . . . . . . . 181 TYR H . 18683 1 332 . 1 1 181 181 TYR N N 15 120.78 . . . . . . . 181 TYR N . 18683 1 333 . 1 1 182 182 TYR H H 1 8.91 . . . . . . . 182 TYR H . 18683 1 334 . 1 1 182 182 TYR N N 15 115.79 . . . . . . . 182 TYR N . 18683 1 335 . 1 1 183 183 SER H H 1 8.48 . . . . . . . 183 SER H . 18683 1 336 . 1 1 183 183 SER N N 15 114.12 . . . . . . . 183 SER N . 18683 1 337 . 1 1 184 184 LYS H H 1 7.42 . . . . . . . 184 LYS H . 18683 1 338 . 1 1 184 184 LYS N N 15 120.53 . . . . . . . 184 LYS N . 18683 1 339 . 1 1 185 185 GLU H H 1 7.99 . . . . . . . 185 GLU H . 18683 1 340 . 1 1 185 185 GLU N N 15 117.9 . . . . . . . 185 GLU N . 18683 1 341 . 1 1 186 186 ALA H H 1 8.35 . . . . . . . 186 ALA H . 18683 1 342 . 1 1 186 186 ALA N N 15 119.86 . . . . . . . 186 ALA N . 18683 1 343 . 1 1 187 187 GLU H H 1 7.95 . . . . . . . 187 GLU H . 18683 1 344 . 1 1 187 187 GLU N N 15 119.07 . . . . . . . 187 GLU N . 18683 1 345 . 1 1 188 188 ALA H H 1 7.47 . . . . . . . 188 ALA H . 18683 1 346 . 1 1 188 188 ALA N N 15 115.74 . . . . . . . 188 ALA N . 18683 1 347 . 1 1 189 189 GLY H H 1 7.8 . . . . . . . 189 GLY H . 18683 1 348 . 1 1 189 189 GLY N N 15 102.27 . . . . . . . 189 GLY N . 18683 1 349 . 1 1 190 190 ASN H H 1 8.15 . . . . . . . 190 ASN H . 18683 1 350 . 1 1 190 190 ASN N N 15 114.22 . . . . . . . 190 ASN N . 18683 1 351 . 1 1 191 191 THR H H 1 7.52 . . . . . . . 191 THR H . 18683 1 352 . 1 1 191 191 THR N N 15 110.2 . . . . . . . 191 THR N . 18683 1 353 . 1 1 192 192 LYS H H 1 7.83 . . . . . . . 192 LYS H . 18683 1 354 . 1 1 192 192 LYS N N 15 119.6 . . . . . . . 192 LYS N . 18683 1 355 . 1 1 193 193 TYR H H 1 8.28 . . . . . . . 193 TYR H . 18683 1 356 . 1 1 193 193 TYR N N 15 120.81 . . . . . . . 193 TYR N . 18683 1 357 . 1 1 194 194 ALA H H 1 8.24 . . . . . . . 194 ALA H . 18683 1 358 . 1 1 194 194 ALA N N 15 127.09 . . . . . . . 194 ALA N . 18683 1 359 . 1 1 195 195 LYS H H 1 8.31 . . . . . . . 195 LYS H . 18683 1 360 . 1 1 195 195 LYS N N 15 119.66 . . . . . . . 195 LYS N . 18683 1 361 . 1 1 196 196 VAL H H 1 9.09 . . . . . . . 196 VAL H . 18683 1 362 . 1 1 196 196 VAL N N 15 122.32 . . . . . . . 196 VAL N . 18683 1 363 . 1 1 197 197 ASP H H 1 8.73 . . . . . . . 197 ASP H . 18683 1 364 . 1 1 197 197 ASP N N 15 121.6 . . . . . . . 197 ASP N . 18683 1 365 . 1 1 198 198 GLY H H 1 8.4 . . . . . . . 198 GLY H . 18683 1 366 . 1 1 198 198 GLY N N 15 109.07 . . . . . . . 198 GLY N . 18683 1 367 . 1 1 199 199 THR H H 1 8.65 . . . . . . . 199 THR H . 18683 1 368 . 1 1 199 199 THR N N 15 108.89 . . . . . . . 199 THR N . 18683 1 369 . 1 1 200 200 LYS H H 1 6.57 . . . . . . . 200 LYS H . 18683 1 370 . 1 1 200 200 LYS N N 15 118.66 . . . . . . . 200 LYS N . 18683 1 371 . 1 1 202 202 VAL H H 1 8.44 . . . . . . . 202 VAL H . 18683 1 372 . 1 1 202 202 VAL N N 15 120.47 . . . . . . . 202 VAL N . 18683 1 373 . 1 1 203 203 ALA H H 1 8.82 . . . . . . . 203 ALA H . 18683 1 374 . 1 1 203 203 ALA N N 15 116.58 . . . . . . . 203 ALA N . 18683 1 375 . 1 1 204 204 GLU H H 1 7.39 . . . . . . . 204 GLU H . 18683 1 376 . 1 1 204 204 GLU N N 15 114.8 . . . . . . . 204 GLU N . 18683 1 377 . 1 1 205 205 VAL H H 1 7.84 . . . . . . . 205 VAL H . 18683 1 378 . 1 1 205 205 VAL N N 15 118.13 . . . . . . . 205 VAL N . 18683 1 379 . 1 1 206 206 ARG H H 1 7.94 . . . . . . . 206 ARG H . 18683 1 380 . 1 1 206 206 ARG N N 15 115.34 . . . . . . . 206 ARG N . 18683 1 381 . 1 1 207 207 ALA H H 1 7.22 . . . . . . . 207 ALA H . 18683 1 382 . 1 1 207 207 ALA N N 15 117.42 . . . . . . . 207 ALA N . 18683 1 383 . 1 1 208 208 ASP H H 1 8.24 . . . . . . . 208 ASP H . 18683 1 384 . 1 1 208 208 ASP N N 15 118.32 . . . . . . . 208 ASP N . 18683 1 385 . 1 1 209 209 LEU H H 1 8.52 . . . . . . . 209 LEU H . 18683 1 386 . 1 1 209 209 LEU N N 15 117.58 . . . . . . . 209 LEU N . 18683 1 387 . 1 1 210 210 GLU H H 1 8.45 . . . . . . . 210 GLU H . 18683 1 388 . 1 1 210 210 GLU N N 15 115.97 . . . . . . . 210 GLU N . 18683 1 389 . 1 1 211 211 LYS H H 1 7.65 . . . . . . . 211 LYS H . 18683 1 390 . 1 1 211 211 LYS N N 15 115.84 . . . . . . . 211 LYS N . 18683 1 391 . 1 1 212 212 ILE H H 1 7.58 . . . . . . . 212 ILE H . 18683 1 392 . 1 1 212 212 ILE N N 15 116.3 . . . . . . . 212 ILE N . 18683 1 393 . 1 1 213 213 LEU H H 1 8.11 . . . . . . . 213 LEU H . 18683 1 394 . 1 1 213 213 LEU N N 15 114.15 . . . . . . . 213 LEU N . 18683 1 stop_ save_