################################### # 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 5353 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $experimental_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5353 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 3 3 ASN N N 15 120.14 . . . . . . . . . . . 5353 1 2 . 1 1 3 3 ASN H H 1 8.53 . . . . . . . . . . . 5353 1 3 . 1 1 4 4 LEU N N 15 120.84 . . . . . . . . . . . 5353 1 4 . 1 1 4 4 LEU H H 1 8.10 . . . . . . . . . . . 5353 1 5 . 1 1 5 5 THR N N 15 113.50 . . . . . . . . . . . 5353 1 6 . 1 1 5 5 THR H H 1 8.81 . . . . . . . . . . . 5353 1 7 . 1 1 6 6 GLU N N 15 119.98 . . . . . . . . . . . 5353 1 8 . 1 1 6 6 GLU H H 1 9.01 . . . . . . . . . . . 5353 1 9 . 1 1 7 7 GLU N N 15 119.54 . . . . . . . . . . . 5353 1 10 . 1 1 7 7 GLU H H 1 8.72 . . . . . . . . . . . 5353 1 11 . 1 1 8 8 GLN N N 15 119.98 . . . . . . . . . . . 5353 1 12 . 1 1 8 8 GLN H H 1 7.74 . . . . . . . . . . . 5353 1 13 . 1 1 9 9 ILE N N 15 118.25 . . . . . . . . . . . 5353 1 14 . 1 1 9 9 ILE H H 1 8.21 . . . . . . . . . . . 5353 1 15 . 1 1 10 10 ALA N N 15 120.41 . . . . . . . . . . . 5353 1 16 . 1 1 10 10 ALA H H 1 7.91 . . . . . . . . . . . 5353 1 17 . 1 1 11 11 GLU N N 15 119.11 . . . . . . . . . . . 5353 1 18 . 1 1 11 11 GLU H H 1 7.80 . . . . . . . . . . . 5353 1 19 . 1 1 12 12 PHE N N 15 119.98 . . . . . . . . . . . 5353 1 20 . 1 1 12 12 PHE H H 1 8.84 . . . . . . . . . . . 5353 1 21 . 1 1 13 13 LYS N N 15 120.84 . . . . . . . . . . . 5353 1 22 . 1 1 13 13 LYS H H 1 9.12 . . . . . . . . . . . 5353 1 23 . 1 1 14 14 GLU N N 15 118.25 . . . . . . . . . . . 5353 1 24 . 1 1 14 14 GLU H H 1 7.88 . . . . . . . . . . . 5353 1 25 . 1 1 15 15 ALA N N 15 120.84 . . . . . . . . . . . 5353 1 26 . 1 1 15 15 ALA H H 1 7.74 . . . . . . . . . . . 5353 1 27 . 1 1 16 16 PHE N N 15 117.82 . . . . . . . . . . . 5353 1 28 . 1 1 16 16 PHE H H 1 8.46 . . . . . . . . . . . 5353 1 29 . 1 1 17 17 ALA N N 15 118.05 . . . . . . . . . . . 5353 1 30 . 1 1 17 17 ALA H H 1 8.27 . . . . . . . . . . . 5353 1 31 . 1 1 18 18 LEU N N 15 116.52 . . . . . . . . . . . 5353 1 32 . 1 1 18 18 LEU H H 1 7.35 . . . . . . . . . . . 5353 1 33 . 1 1 19 19 PHE N N 15 115.23 . . . . . . . . . . . 5353 1 34 . 1 1 19 19 PHE H H 1 7.48 . . . . . . . . . . . 5353 1 35 . 1 1 20 20 ASP N N 15 123.00 . . . . . . . . . . . 5353 1 36 . 1 1 20 20 ASP H H 1 7.60 . . . . . . . . . . . 5353 1 37 . 1 1 21 21 LYS N N 15 122.57 . . . . . . . . . . . 5353 1 38 . 1 1 21 21 LYS H H 1 7.91 . . . . . . . . . . . 5353 1 39 . 1 1 22 22 ASP N N 15 116.95 . . . . . . . . . . . 5353 1 40 . 1 1 22 22 ASP H H 1 8.64 . . . . . . . . . . . 5353 1 41 . 1 1 23 23 ASN N N 15 117.84 . . . . . . . . . . . 5353 1 42 . 1 1 23 23 ASN H H 1 7.98 . . . . . . . . . . . 5353 1 43 . 1 1 24 24 ASN N N 15 118.16 . . . . . . . . . . . 5353 1 44 . 1 1 24 24 ASN H H 1 9.87 . . . . . . . . . . . 5353 1 45 . 1 1 25 25 GLY H H 1 10.72 . . . . . . . . . . . 5353 1 46 . 1 1 25 25 GLY N N 15 112.52 . . . . . . . . . . . 5353 1 47 . 1 1 26 26 SER N N 15 113.50 . . . . . . . . . . . 5353 1 48 . 1 1 26 26 SER H H 1 7.70 . . . . . . . . . . . 5353 1 49 . 1 1 27 27 ILE N N 15 111.42 . . . . . . . . . . . 5353 1 50 . 1 1 27 27 ILE H H 1 8.16 . . . . . . . . . . . 5353 1 51 . 1 1 28 28 SER N N 15 116.52 . . . . . . . . . . . 5353 1 52 . 1 1 28 28 SER H H 1 8.71 . . . . . . . . . . . 5353 1 53 . 1 1 29 29 SER N N 15 121.27 . . . . . . . . . . . 5353 1 54 . 1 1 29 29 SER H H 1 8.99 . . . . . . . . . . . 5353 1 55 . 1 1 30 30 SER N N 15 115.66 . . . . . . . . . . . 5353 1 56 . 1 1 30 30 SER H H 1 8.10 . . . . . . . . . . . 5353 1 57 . 1 1 31 31 GLU N N 15 120.41 . . . . . . . . . . . 5353 1 58 . 1 1 31 31 GLU H H 1 7.77 . . . . . . . . . . . 5353 1 59 . 1 1 32 32 LEU N N 15 120.72 . . . . . . . . . . . 5353 1 60 . 1 1 32 32 LEU H H 1 7.59 . . . . . . . . . . . 5353 1 61 . 1 1 33 33 ALA N N 15 119.54 . . . . . . . . . . . 5353 1 62 . 1 1 33 33 ALA H H 1 8.77 . . . . . . . . . . . 5353 1 63 . 1 1 34 34 THR N N 15 114.79 . . . . . . . . . . . 5353 1 64 . 1 1 34 34 THR H H 1 7.54 . . . . . . . . . . . 5353 1 65 . 1 1 35 35 VAL N N 15 123.00 . . . . . . . . . . . 5353 1 66 . 1 1 35 35 VAL H H 1 8.04 . . . . . . . . . . . 5353 1 67 . 1 1 36 36 MET N N 15 118.68 . . . . . . . . . . . 5353 1 68 . 1 1 36 36 MET H H 1 8.47 . . . . . . . . . . . 5353 1 69 . 1 1 37 37 ARG N N 15 118.68 . . . . . . . . . . . 5353 1 70 . 1 1 37 37 ARG H H 1 8.36 . . . . . . . . . . . 5353 1 71 . 1 1 38 38 SER N N 15 118.25 . . . . . . . . . . . 5353 1 72 . 1 1 38 38 SER H H 1 8.17 . . . . . . . . . . . 5353 1 73 . 1 1 39 39 LEU N N 15 120.41 . . . . . . . . . . . 5353 1 74 . 1 1 39 39 LEU H H 1 7.39 . . . . . . . . . . . 5353 1 75 . 1 1 40 40 GLY N N 15 106.16 . . . . . . . . . . . 5353 1 76 . 1 1 40 40 GLY H H 1 7.91 . . . . . . . . . . . 5353 1 77 . 1 1 41 41 LEU N N 15 119.98 . . . . . . . . . . . 5353 1 78 . 1 1 41 41 LEU H H 1 7.70 . . . . . . . . . . . 5353 1 79 . 1 1 42 42 SER N N 15 113.50 . . . . . . . . . . . 5353 1 80 . 1 1 42 42 SER H H 1 8.66 . . . . . . . . . . . 5353 1 81 . 1 1 44 44 SER N N 15 118.25 . . . . . . . . . . . 5353 1 82 . 1 1 44 44 SER H H 1 8.92 . . . . . . . . . . . 5353 1 83 . 1 1 45 45 GLU N N 15 121.27 . . . . . . . . . . . 5353 1 84 . 1 1 45 45 GLU H H 1 8.83 . . . . . . . . . . . 5353 1 85 . 1 1 46 46 ALA N N 15 120.84 . . . . . . . . . . . 5353 1 86 . 1 1 46 46 ALA H H 1 8.29 . . . . . . . . . . . 5353 1 87 . 1 1 47 47 GLU N N 15 118.25 . . . . . . . . . . . 5353 1 88 . 1 1 47 47 GLU H H 1 7.78 . . . . . . . . . . . 5353 1 89 . 1 1 48 48 VAL N N 15 119.54 . . . . . . . . . . . 5353 1 90 . 1 1 48 48 VAL H H 1 8.21 . . . . . . . . . . . 5353 1 91 . 1 1 49 49 ASN N N 15 118.68 . . . . . . . . . . . 5353 1 92 . 1 1 49 49 ASN H H 1 8.21 . . . . . . . . . . . 5353 1 93 . 1 1 50 50 ASP N N 15 119.54 . . . . . . . . . . . 5353 1 94 . 1 1 50 50 ASP H H 1 8.10 . . . . . . . . . . . 5353 1 95 . 1 1 51 51 LEU N N 15 120.84 . . . . . . . . . . . 5353 1 96 . 1 1 51 51 LEU H H 1 7.95 . . . . . . . . . . . 5353 1 97 . 1 1 52 52 MET N N 15 116.09 . . . . . . . . . . . 5353 1 98 . 1 1 52 52 MET H H 1 8.33 . . . . . . . . . . . 5353 1 99 . 1 1 53 53 ASN N N 15 116.09 . . . . . . . . . . . 5353 1 100 . 1 1 53 53 ASN H H 1 7.94 . . . . . . . . . . . 5353 1 101 . 1 1 54 54 GLU N N 15 118.25 . . . . . . . . . . . 5353 1 102 . 1 1 54 54 GLU H H 1 7.84 . . . . . . . . . . . 5353 1 103 . 1 1 55 55 ILE N N 15 115.23 . . . . . . . . . . . 5353 1 104 . 1 1 55 55 ILE H H 1 7.72 . . . . . . . . . . . 5353 1 105 . 1 1 56 56 ASP N N 15 121.70 . . . . . . . . . . . 5353 1 106 . 1 1 56 56 ASP H H 1 8.23 . . . . . . . . . . . 5353 1 107 . 1 1 57 57 VAL N N 15 119.98 . . . . . . . . . . . 5353 1 108 . 1 1 57 57 VAL H H 1 7.99 . . . . . . . . . . . 5353 1 109 . 1 1 58 58 ASP N N 15 120.41 . . . . . . . . . . . 5353 1 110 . 1 1 58 58 ASP H H 1 8.36 . . . . . . . . . . . 5353 1 111 . 1 1 59 59 GLY N N 15 107.88 . . . . . . . . . . . 5353 1 112 . 1 1 59 59 GLY H H 1 8.08 . . . . . . . . . . . 5353 1 113 . 1 1 60 60 ASN N N 15 117.82 . . . . . . . . . . . 5353 1 114 . 1 1 60 60 ASN H H 1 8.35 . . . . . . . . . . . 5353 1 115 . 1 1 61 61 HIS N N 15 118.25 . . . . . . . . . . . 5353 1 116 . 1 1 61 61 HIS H H 1 8.82 . . . . . . . . . . . 5353 1 117 . 1 1 62 62 GLN N N 15 120.41 . . . . . . . . . . . 5353 1 118 . 1 1 62 62 GLN H H 1 8.28 . . . . . . . . . . . 5353 1 119 . 1 1 63 63 ILE N N 15 121.70 . . . . . . . . . . . 5353 1 120 . 1 1 63 63 ILE H H 1 9.24 . . . . . . . . . . . 5353 1 121 . 1 1 64 64 GLU N N 15 125.59 . . . . . . . . . . . 5353 1 122 . 1 1 64 64 GLU H H 1 8.95 . . . . . . . . . . . 5353 1 123 . 1 1 65 65 PHE N N 15 122.57 . . . . . . . . . . . 5353 1 124 . 1 1 65 65 PHE H H 1 8.74 . . . . . . . . . . . 5353 1 125 . 1 1 66 66 SER N N 15 112.63 . . . . . . . . . . . 5353 1 126 . 1 1 66 66 SER H H 1 9.04 . . . . . . . . . . . 5353 1 127 . 1 1 67 67 GLU N N 15 123.00 . . . . . . . . . . . 5353 1 128 . 1 1 67 67 GLU H H 1 7.12 . . . . . . . . . . . 5353 1 129 . 1 1 68 68 PHE N N 15 121.70 . . . . . . . . . . . 5353 1 130 . 1 1 68 68 PHE H H 1 8.27 . . . . . . . . . . . 5353 1 131 . 1 1 69 69 LEU N N 15 117.82 . . . . . . . . . . . 5353 1 132 . 1 1 69 69 LEU H H 1 8.33 . . . . . . . . . . . 5353 1 133 . 1 1 70 70 ALA N N 15 121.70 . . . . . . . . . . . 5353 1 134 . 1 1 70 70 ALA H H 1 7.35 . . . . . . . . . . . 5353 1 135 . 1 1 71 71 LEU N N 15 119.54 . . . . . . . . . . . 5353 1 136 . 1 1 71 71 LEU H H 1 7.95 . . . . . . . . . . . 5353 1 137 . 1 1 72 72 MET N N 15 117.84 . . . . . . . . . . . 5353 1 138 . 1 1 72 72 MET H H 1 8.12 . . . . . . . . . . . 5353 1 139 . 1 1 73 73 SER N N 15 113.50 . . . . . . . . . . . 5353 1 140 . 1 1 73 73 SER H H 1 8.19 . . . . . . . . . . . 5353 1 141 . 1 1 74 74 ARG N N 15 119.11 . . . . . . . . . . . 5353 1 142 . 1 1 74 74 ARG H H 1 7.43 . . . . . . . . . . . 5353 1 143 . 1 1 75 75 GLN N N 15 117.38 . . . . . . . . . . . 5353 1 144 . 1 1 75 75 GLN H H 1 7.90 . . . . . . . . . . . 5353 1 145 . 1 1 76 76 LEU N N 15 119.11 . . . . . . . . . . . 5353 1 146 . 1 1 76 76 LEU H H 1 7.80 . . . . . . . . . . . 5353 1 147 . 1 1 77 77 LYS N N 15 119.98 . . . . . . . . . . . 5353 1 148 . 1 1 77 77 LYS H H 1 7.86 . . . . . . . . . . . 5353 1 149 . 1 1 78 78 SER N N 15 116.09 . . . . . . . . . . . 5353 1 150 . 1 1 78 78 SER H H 1 8.29 . . . . . . . . . . . 5353 1 151 . 1 1 79 79 ASN N N 15 120.84 . . . . . . . . . . . 5353 1 152 . 1 1 79 79 ASN H H 1 8.48 . . . . . . . . . . . 5353 1 153 . 1 1 80 80 ASP N N 15 120.84 . . . . . . . . . . . 5353 1 154 . 1 1 80 80 ASP H H 1 8.32 . . . . . . . . . . . 5353 1 155 . 1 1 81 81 SER N N 15 116.09 . . . . . . . . . . . 5353 1 156 . 1 1 81 81 SER H H 1 8.37 . . . . . . . . . . . 5353 1 157 . 1 1 82 82 GLU N N 15 122.13 . . . . . . . . . . . 5353 1 158 . 1 1 82 82 GLU H H 1 8.43 . . . . . . . . . . . 5353 1 159 . 1 1 83 83 GLN N N 15 118.25 . . . . . . . . . . . 5353 1 160 . 1 1 83 83 GLN H H 1 8.17 . . . . . . . . . . . 5353 1 161 . 1 1 84 84 GLU N N 15 119.98 . . . . . . . . . . . 5353 1 162 . 1 1 84 84 GLU H H 1 8.27 . . . . . . . . . . . 5353 1 163 . 1 1 85 85 LEU N N 15 121.27 . . . . . . . . . . . 5353 1 164 . 1 1 85 85 LEU H H 1 8.08 . . . . . . . . . . . 5353 1 165 . 1 1 86 86 LEU N N 15 118.68 . . . . . . . . . . . 5353 1 166 . 1 1 86 86 LEU H H 1 8.05 . . . . . . . . . . . 5353 1 167 . 1 1 87 87 GLU N N 15 117.82 . . . . . . . . . . . 5353 1 168 . 1 1 87 87 GLU H H 1 8.10 . . . . . . . . . . . 5353 1 169 . 1 1 88 88 ALA N N 15 121.70 . . . . . . . . . . . 5353 1 170 . 1 1 88 88 ALA H H 1 7.89 . . . . . . . . . . . 5353 1 171 . 1 1 89 89 PHE N N 15 115.23 . . . . . . . . . . . 5353 1 172 . 1 1 89 89 PHE H H 1 8.10 . . . . . . . . . . . 5353 1 173 . 1 1 90 90 LYS N N 15 118.68 . . . . . . . . . . . 5353 1 174 . 1 1 90 90 LYS H H 1 7.97 . . . . . . . . . . . 5353 1 175 . 1 1 91 91 VAL N N 15 116.52 . . . . . . . . . . . 5353 1 176 . 1 1 91 91 VAL H H 1 7.40 . . . . . . . . . . . 5353 1 177 . 1 1 93 93 ASP N N 15 120.41 . . . . . . . . . . . 5353 1 178 . 1 1 93 93 ASP H H 1 7.86 . . . . . . . . . . . 5353 1 179 . 1 1 94 94 LYS N N 15 122.57 . . . . . . . . . . . 5353 1 180 . 1 1 94 94 LYS H H 1 8.21 . . . . . . . . . . . 5353 1 181 . 1 1 95 95 ASN N N 15 116.09 . . . . . . . . . . . 5353 1 182 . 1 1 95 95 ASN H H 1 8.64 . . . . . . . . . . . 5353 1 183 . 1 1 96 96 GLY N N 15 109.18 . . . . . . . . . . . 5353 1 184 . 1 1 96 96 GLY H H 1 8.14 . . . . . . . . . . . 5353 1 185 . 1 1 97 97 ASP N N 15 119.54 . . . . . . . . . . . 5353 1 186 . 1 1 97 97 ASP H H 1 8.32 . . . . . . . . . . . 5353 1 187 . 1 1 98 98 GLY H H 1 9.87 . . . . . . . . . . . 5353 1 188 . 1 1 99 99 LEU N N 15 120.84 . . . . . . . . . . . 5353 1 189 . 1 1 99 99 LEU H H 1 7.84 . . . . . . . . . . . 5353 1 190 . 1 1 100 100 ILE N N 15 122.80 . . . . . . . . . . . 5353 1 191 . 1 1 100 100 ILE H H 1 8.53 . . . . . . . . . . . 5353 1 192 . 1 1 101 101 SER N N 15 119.54 . . . . . . . . . . . 5353 1 193 . 1 1 101 101 SER H H 1 8.53 . . . . . . . . . . . 5353 1 194 . 1 1 102 102 ALA N N 15 125.16 . . . . . . . . . . . 5353 1 195 . 1 1 102 102 ALA H H 1 8.72 . . . . . . . . . . . 5353 1 196 . 1 1 103 103 ALA N N 15 118.25 . . . . . . . . . . . 5353 1 197 . 1 1 103 103 ALA H H 1 8.27 . . . . . . . . . . . 5353 1 198 . 1 1 104 104 GLU N N 15 118.68 . . . . . . . . . . . 5353 1 199 . 1 1 104 104 GLU H H 1 7.74 . . . . . . . . . . . 5353 1 200 . 1 1 105 105 LEU N N 15 120.84 . . . . . . . . . . . 5353 1 201 . 1 1 105 105 LEU H H 1 8.14 . . . . . . . . . . . 5353 1 202 . 1 1 106 106 LYS N N 15 117.38 . . . . . . . . . . . 5353 1 203 . 1 1 106 106 LYS H H 1 8.19 . . . . . . . . . . . 5353 1 204 . 1 1 107 107 HIS N N 15 117.82 . . . . . . . . . . . 5353 1 205 . 1 1 107 107 HIS H H 1 7.72 . . . . . . . . . . . 5353 1 206 . 1 1 108 108 VAL N N 15 120.41 . . . . . . . . . . . 5353 1 207 . 1 1 108 108 VAL H H 1 8.13 . . . . . . . . . . . 5353 1 208 . 1 1 109 109 LEU N N 15 118.68 . . . . . . . . . . . 5353 1 209 . 1 1 109 109 LEU H H 1 8.34 . . . . . . . . . . . 5353 1 210 . 1 1 110 110 THR N N 15 111.77 . . . . . . . . . . . 5353 1 211 . 1 1 110 110 THR H H 1 8.01 . . . . . . . . . . . 5353 1 212 . 1 1 111 111 SER N N 15 117.38 . . . . . . . . . . . 5353 1 213 . 1 1 111 111 SER H H 1 7.95 . . . . . . . . . . . 5353 1 214 . 1 1 112 112 ILE N N 15 116.95 . . . . . . . . . . . 5353 1 215 . 1 1 112 112 ILE H H 1 7.70 . . . . . . . . . . . 5353 1 216 . 1 1 113 113 GLY N N 15 109.18 . . . . . . . . . . . 5353 1 217 . 1 1 113 113 GLY H H 1 8.00 . . . . . . . . . . . 5353 1 218 . 1 1 114 114 GLU N N 15 119.98 . . . . . . . . . . . 5353 1 219 . 1 1 114 114 GLU H H 1 8.07 . . . . . . . . . . . 5353 1 220 . 1 1 115 115 LYS N N 15 121.27 . . . . . . . . . . . 5353 1 221 . 1 1 115 115 LYS H H 1 8.43 . . . . . . . . . . . 5353 1 222 . 1 1 116 116 LEU N N 15 122.13 . . . . . . . . . . . 5353 1 223 . 1 1 116 116 LEU H H 1 7.88 . . . . . . . . . . . 5353 1 224 . 1 1 117 117 THR N N 15 113.50 . . . . . . . . . . . 5353 1 225 . 1 1 117 117 THR H H 1 8.82 . . . . . . . . . . . 5353 1 226 . 1 1 118 118 ASP N N 15 120.41 . . . . . . . . . . . 5353 1 227 . 1 1 118 118 ASP H H 1 8.62 . . . . . . . . . . . 5353 1 228 . 1 1 119 119 ALA N N 15 120.41 . . . . . . . . . . . 5353 1 229 . 1 1 119 119 ALA H H 1 8.19 . . . . . . . . . . . 5353 1 230 . 1 1 120 120 GLU N N 15 118.75 . . . . . . . . . . . 5353 1 231 . 1 1 120 120 GLU H H 1 7.80 . . . . . . . . . . . 5353 1 232 . 1 1 121 121 VAL N N 15 120.41 . . . . . . . . . . . 5353 1 233 . 1 1 121 121 VAL H H 1 8.18 . . . . . . . . . . . 5353 1 234 . 1 1 122 122 ASP N N 15 120.41 . . . . . . . . . . . 5353 1 235 . 1 1 122 122 ASP H H 1 8.31 . . . . . . . . . . . 5353 1 236 . 1 1 123 123 ASP N N 15 119.11 . . . . . . . . . . . 5353 1 237 . 1 1 123 123 ASP H H 1 8.04 . . . . . . . . . . . 5353 1 238 . 1 1 124 124 MET N N 15 119.98 . . . . . . . . . . . 5353 1 239 . 1 1 124 124 MET H H 1 7.98 . . . . . . . . . . . 5353 1 240 . 1 1 125 125 LEU N N 15 117.82 . . . . . . . . . . . 5353 1 241 . 1 1 125 125 LEU H H 1 8.45 . . . . . . . . . . . 5353 1 242 . 1 1 126 126 ARG N N 15 119.11 . . . . . . . . . . . 5353 1 243 . 1 1 126 126 ARG H H 1 7.90 . . . . . . . . . . . 5353 1 244 . 1 1 127 127 GLU N N 15 117.38 . . . . . . . . . . . 5353 1 245 . 1 1 127 127 GLU H H 1 7.84 . . . . . . . . . . . 5353 1 246 . 1 1 128 128 VAL N N 15 113.26 . . . . . . . . . . . 5353 1 247 . 1 1 128 128 VAL H H 1 7.74 . . . . . . . . . . . 5353 1 248 . 1 1 129 129 SER N N 15 116.09 . . . . . . . . . . . 5353 1 249 . 1 1 129 129 SER H H 1 7.89 . . . . . . . . . . . 5353 1 250 . 1 1 130 130 ASP N N 15 122.57 . . . . . . . . . . . 5353 1 251 . 1 1 130 130 ASP H H 1 8.48 . . . . . . . . . . . 5353 1 252 . 1 1 131 131 GLY N N 15 107.88 . . . . . . . . . . . 5353 1 253 . 1 1 131 131 GLY H H 1 8.38 . . . . . . . . . . . 5353 1 254 . 1 1 132 132 SER N N 15 116.09 . . . . . . . . . . . 5353 1 255 . 1 1 132 132 SER H H 1 8.44 . . . . . . . . . . . 5353 1 256 . 1 1 133 133 GLY N N 15 110.04 . . . . . . . . . . . 5353 1 257 . 1 1 133 133 GLY H H 1 8.46 . . . . . . . . . . . 5353 1 258 . 1 1 134 134 GLU N N 15 119.98 . . . . . . . . . . . 5353 1 259 . 1 1 134 134 GLU H H 1 8.13 . . . . . . . . . . . 5353 1 260 . 1 1 135 135 ILE N N 15 121.49 . . . . . . . . . . . 5353 1 261 . 1 1 135 135 ILE H H 1 8.99 . . . . . . . . . . . 5353 1 262 . 1 1 136 136 ASN N N 15 123.43 . . . . . . . . . . . 5353 1 263 . 1 1 136 136 ASN H H 1 8.58 . . . . . . . . . . . 5353 1 264 . 1 1 137 137 ILE N N 15 124.40 . . . . . . . . . . . 5353 1 265 . 1 1 137 137 ILE H H 1 8.50 . . . . . . . . . . . 5353 1 266 . 1 1 138 138 GLN N N 15 120.84 . . . . . . . . . . . 5353 1 267 . 1 1 138 138 GLN H H 1 8.33 . . . . . . . . . . . 5353 1 268 . 1 1 139 139 GLN N N 15 119.54 . . . . . . . . . . . 5353 1 269 . 1 1 139 139 GLN H H 1 8.22 . . . . . . . . . . . 5353 1 270 . 1 1 140 140 PHE N N 15 119.54 . . . . . . . . . . . 5353 1 271 . 1 1 140 140 PHE H H 1 8.26 . . . . . . . . . . . 5353 1 272 . 1 1 141 141 ALA N N 15 119.98 . . . . . . . . . . . 5353 1 273 . 1 1 141 141 ALA H H 1 8.51 . . . . . . . . . . . 5353 1 274 . 1 1 142 142 ALA N N 15 118.68 . . . . . . . . . . . 5353 1 275 . 1 1 142 142 ALA H H 1 7.66 . . . . . . . . . . . 5353 1 276 . 1 1 143 143 LEU N N 15 118.25 . . . . . . . . . . . 5353 1 277 . 1 1 143 143 LEU H H 1 7.69 . . . . . . . . . . . 5353 1 278 . 1 1 144 144 LEU N N 15 117.38 . . . . . . . . . . . 5353 1 279 . 1 1 144 144 LEU H H 1 7.52 . . . . . . . . . . . 5353 1 280 . 1 1 145 145 SER N N 15 113.93 . . . . . . . . . . . 5353 1 281 . 1 1 145 145 SER H H 1 7.61 . . . . . . . . . . . 5353 1 282 . 1 1 146 146 LYS N N 15 127.32 . . . . . . . . . . . 5353 1 283 . 1 1 146 146 LYS H H 1 7.69 . . . . . . . . . . . 5353 1 stop_ save_