################################### # 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 16244 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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 '2D 1H-15N HSQC' . . . 16244 1 2 '3D CBCA(CO)NH' . . . 16244 1 3 '3D HNCACB' . . . 16244 1 4 '3D HNCA' . . . 16244 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $SPARKY . . 16244 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 6 6 LEU H H 1 10.03 0.02 . 1 . . . . 119 L H . 16244 1 2 . 1 1 6 6 LEU N N 15 127.03 0.4 . 1 . . . . 119 L N . 16244 1 3 . 1 1 7 7 TRP H H 1 9.321 0.02 . 1 . . . . 120 W H . 16244 1 4 . 1 1 7 7 TRP N N 15 122.74 0.4 . 1 . . . . 120 W N . 16244 1 5 . 1 1 9 9 THR H H 1 8.47 0.02 . 1 . . . . 122 T H . 16244 1 6 . 1 1 9 9 THR N N 15 115.912 0.4 . 1 . . . . 122 T N . 16244 1 7 . 1 1 10 10 ASN H H 1 7.921 0.02 . 1 . . . . 123 N H . 16244 1 8 . 1 1 10 10 ASN N N 15 119.108 0.4 . 1 . . . . 123 N N . 16244 1 9 . 1 1 11 11 PHE H H 1 5.965 0.02 . 1 . . . . 124 F H . 16244 1 10 . 1 1 11 11 PHE N N 15 108.63 0.4 . 1 . . . . 124 F N . 16244 1 11 . 1 1 14 14 SER H H 1 7.52 0.02 . 1 . . . . 127 S H . 16244 1 12 . 1 1 14 14 SER N N 15 109.306 0.4 . 1 . . . . 127 S N . 16244 1 13 . 1 1 15 15 TYR H H 1 7.979 0.02 . 1 . . . . 128 Y H . 16244 1 14 . 1 1 15 15 TYR N N 15 124.542 0.4 . 1 . . . . 128 Y N . 16244 1 15 . 1 1 16 16 THR H H 1 8.727 0.02 . 1 . . . . 129 T H . 16244 1 16 . 1 1 16 16 THR N N 15 112.665 0.4 . 1 . . . . 129 T N . 16244 1 17 . 1 1 17 17 GLN H H 1 9.241 0.02 . 1 . . . . 130 Q H . 16244 1 18 . 1 1 17 17 GLN N N 15 118.81 0.4 . 1 . . . . 130 Q N . 16244 1 19 . 1 1 19 19 ASN H H 1 7.032 0.02 . 1 . . . . 132 N H . 16244 1 20 . 1 1 19 19 ASN N N 15 114.78 0.4 . 1 . . . . 132 N N . 16244 1 21 . 1 1 20 20 ILE H H 1 7.187 0.02 . 1 . . . . 133 I H . 16244 1 22 . 1 1 20 20 ILE N N 15 119.086 0.4 . 1 . . . . 133 I N . 16244 1 23 . 1 1 21 21 ARG H H 1 8.206 0.02 . 1 . . . . 134 R H . 16244 1 24 . 1 1 21 21 ARG N N 15 120.805 0.4 . 1 . . . . 134 R N . 16244 1 25 . 1 1 23 23 LEU H H 1 7.407 0.02 . 1 . . . . 136 L H . 16244 1 26 . 1 1 23 23 LEU N N 15 121.274 0.4 . 1 . . . . 136 L N . 16244 1 27 . 1 1 24 24 LEU H H 1 7.309 0.02 . 1 . . . . 137 L H . 16244 1 28 . 1 1 24 24 LEU N N 15 117.656 0.4 . 1 . . . . 137 L N . 16244 1 29 . 1 1 25 25 GLN H H 1 8.51 0.02 . 1 . . . . 138 Q H . 16244 1 30 . 1 1 25 25 GLN N N 15 119.939 0.4 . 1 . . . . 138 Q N . 16244 1 31 . 1 1 26 26 ASP H H 1 7.765 0.02 . 1 . . . . 139 D H . 16244 1 32 . 1 1 26 26 ASP N N 15 119.486 0.4 . 1 . . . . 139 D N . 16244 1 33 . 1 1 27 27 ILE H H 1 7.232 0.02 . 1 . . . . 140 I H . 16244 1 34 . 1 1 27 27 ILE N N 15 110.26 0.4 . 1 . . . . 140 I N . 16244 1 35 . 1 1 28 28 ASN H H 1 8.15 0.02 . 1 . . . . 141 N H . 16244 1 36 . 1 1 28 28 ASN N N 15 116.891 0.4 . 1 . . . . 141 N N . 16244 1 37 . 1 1 29 29 VAL H H 1 8.09 0.02 . 1 . . . . 142 V H . 16244 1 38 . 1 1 29 29 VAL N N 15 119.61 0.4 . 1 . . . . 142 V N . 16244 1 39 . 1 1 30 30 VAL H H 1 8.46 0.02 . 1 . . . . 143 V H . 16244 1 40 . 1 1 30 30 VAL N N 15 127.453 0.4 . 1 . . . . 143 V N . 16244 1 41 . 1 1 31 31 ALA H H 1 8.427 0.02 . 1 . . . . 144 A H . 16244 1 42 . 1 1 31 31 ALA N N 15 128.827 0.4 . 1 . . . . 144 A N . 16244 1 43 . 1 1 32 32 LEU H H 1 8.835 0.02 . 1 . . . . 145 L H . 16244 1 44 . 1 1 32 32 LEU N N 15 123.986 0.4 . 1 . . . . 145 L N . 16244 1 45 . 1 1 33 33 SER H H 1 7.206 0.02 . 1 . . . . 146 S H . 16244 1 46 . 1 1 33 33 SER N N 15 110.433 0.4 . 1 . . . . 146 S N . 16244 1 47 . 1 1 34 34 ILE H H 1 8.375 0.02 . 1 . . . . 147 I H . 16244 1 48 . 1 1 34 34 ILE N N 15 125.352 0.4 . 1 . . . . 147 I N . 16244 1 49 . 1 1 35 35 ARG H H 1 9.447 0.02 . 1 . . . . 148 R H . 16244 1 50 . 1 1 35 35 ARG N N 15 127.354 0.4 . 1 . . . . 148 R N . 16244 1 51 . 1 1 36 36 LEU H H 1 8.674 0.02 . 1 . . . . 149 L H . 16244 1 52 . 1 1 36 36 LEU N N 15 126.29 0.4 . 1 . . . . 149 L N . 16244 1 53 . 1 1 38 38 SER H H 1 8.488 0.02 . 1 . . . . 151 S H . 16244 1 54 . 1 1 38 38 SER N N 15 116.597 0.4 . 1 . . . . 151 S N . 16244 1 55 . 1 1 39 39 LEU H H 1 8.341 0.02 . 1 . . . . 152 L H . 16244 1 56 . 1 1 39 39 LEU N N 15 124.152 0.4 . 1 . . . . 152 L N . 16244 1 57 . 1 1 40 40 ARG H H 1 8.533 0.02 . 1 . . . . 153 R H . 16244 1 58 . 1 1 40 40 ARG N N 15 121.883 0.4 . 1 . . . . 153 R N . 16244 1 59 . 1 1 48 48 ALA H H 1 8.836 0.02 . 1 . . . . 161 A H . 16244 1 60 . 1 1 48 48 ALA N N 15 119.877 0.4 . 1 . . . . 161 A N . 16244 1 61 . 1 1 49 49 TYR H H 1 8.758 0.02 . 1 . . . . 162 Y H . 16244 1 62 . 1 1 49 49 TYR N N 15 117.275 0.4 . 1 . . . . 162 Y N . 16244 1 63 . 1 1 50 50 ILE H H 1 9.087 0.02 . 1 . . . . 163 I H . 16244 1 64 . 1 1 50 50 ILE N N 15 121.686 0.4 . 1 . . . . 163 I N . 16244 1 65 . 1 1 51 51 ASP H H 1 8.786 0.02 . 1 . . . . 164 D H . 16244 1 66 . 1 1 51 51 ASP N N 15 127.508 0.4 . 1 . . . . 164 D N . 16244 1 67 . 1 1 52 52 VAL H H 1 8.98 0.02 . 1 . . . . 165 V H . 16244 1 68 . 1 1 52 52 VAL N N 15 115.456 0.4 . 1 . . . . 165 V N . 16244 1 69 . 1 1 53 53 THR H H 1 9.297 0.02 . 1 . . . . 166 T H . 16244 1 70 . 1 1 53 53 THR N N 15 111.634 0.4 . 1 . . . . 166 T N . 16244 1 71 . 1 1 58 58 ALA H H 1 7.919 0.02 . 1 . . . . 171 A H . 16244 1 72 . 1 1 58 58 ALA N N 15 122.919 0.4 . 1 . . . . 171 A N . 16244 1 73 . 1 1 59 59 ARG H H 1 8.127 0.02 . 1 . . . . 172 R H . 16244 1 74 . 1 1 59 59 ARG N N 15 117.214 0.4 . 1 . . . . 172 R N . 16244 1 75 . 1 1 60 60 TYR H H 1 8.157 0.02 . 1 . . . . 173 Y H . 16244 1 76 . 1 1 60 60 TYR N N 15 121.497 0.4 . 1 . . . . 173 Y N . 16244 1 77 . 1 1 61 61 CYS H H 1 8.298 0.02 . 1 . . . . 174 C H . 16244 1 78 . 1 1 61 61 CYS N N 15 115.67 0.4 . 1 . . . . 174 C N . 16244 1 79 . 1 1 62 62 VAL H H 1 7.848 0.02 . 1 . . . . 175 V H . 16244 1 80 . 1 1 62 62 VAL N N 15 119.483 0.4 . 1 . . . . 175 V N . 16244 1 81 . 1 1 63 63 GLU H H 1 7.946 0.02 . 1 . . . . 176 E H . 16244 1 82 . 1 1 63 63 GLU N N 15 118.564 0.4 . 1 . . . . 176 E N . 16244 1 83 . 1 1 64 64 LYS H H 1 7.954 0.02 . 1 . . . . 177 K H . 16244 1 84 . 1 1 64 64 LYS N N 15 114.002 0.4 . 1 . . . . 177 K N . 16244 1 85 . 1 1 65 65 LEU H H 1 8.389 0.02 . 1 . . . . 178 L H . 16244 1 86 . 1 1 65 65 LEU N N 15 115.567 0.4 . 1 . . . . 178 L N . 16244 1 87 . 1 1 66 66 ASN H H 1 7.97 0.02 . 1 . . . . 179 N H . 16244 1 88 . 1 1 66 66 ASN N N 15 116.316 0.4 . 1 . . . . 179 N N . 16244 1 89 . 1 1 67 67 GLY H H 1 8.968 0.02 . 1 . . . . 180 G H . 16244 1 90 . 1 1 67 67 GLY N N 15 116.989 0.4 . 1 . . . . 180 G N . 16244 1 91 . 1 1 68 68 LEU H H 1 7.439 0.02 . 1 . . . . 181 L H . 16244 1 92 . 1 1 68 68 LEU N N 15 123.752 0.4 . 1 . . . . 181 L N . 16244 1 93 . 1 1 69 69 LYS H H 1 8.248 0.02 . 1 . . . . 182 K H . 16244 1 94 . 1 1 69 69 LYS N N 15 125.634 0.4 . 1 . . . . 182 K N . 16244 1 95 . 1 1 70 70 ILE H H 1 9.032 0.02 . 1 . . . . 183 I H . 16244 1 96 . 1 1 70 70 ILE N N 15 126.322 0.4 . 1 . . . . 183 I N . 16244 1 97 . 1 1 71 71 GLU H H 1 9.203 0.02 . 1 . . . . 184 E H . 16244 1 98 . 1 1 71 71 GLU N N 15 123.956 0.4 . 1 . . . . 184 E N . 16244 1 99 . 1 1 72 72 GLY H H 1 8.273 0.02 . 1 . . . . 185 G H . 16244 1 100 . 1 1 72 72 GLY N N 15 103.599 0.4 . 1 . . . . 185 G N . 16244 1 101 . 1 1 73 73 TYR H H 1 8.452 0.02 . 1 . . . . 186 Y H . 16244 1 102 . 1 1 73 73 TYR N N 15 123.175 0.4 . 1 . . . . 186 Y N . 16244 1 103 . 1 1 74 74 THR H H 1 8.277 0.02 . 1 . . . . 187 T H . 16244 1 104 . 1 1 74 74 THR N N 15 119.064 0.4 . 1 . . . . 187 T N . 16244 1 105 . 1 1 75 75 LEU H H 1 9.096 0.02 . 1 . . . . 188 L H . 16244 1 106 . 1 1 75 75 LEU N N 15 131.261 0.4 . 1 . . . . 188 L N . 16244 1 107 . 1 1 76 76 VAL H H 1 8.032 0.02 . 1 . . . . 189 V H . 16244 1 108 . 1 1 76 76 VAL N N 15 125.277 0.4 . 1 . . . . 189 V N . 16244 1 109 . 1 1 89 89 THR H H 1 8.243 0.02 . 1 . . . . 202 T H . 16244 1 110 . 1 1 89 89 THR N N 15 115.42 0.4 . 1 . . . . 202 T N . 16244 1 111 . 1 1 90 90 ASP H H 1 8.388 0.02 . 1 . . . . 203 D H . 16244 1 112 . 1 1 90 90 ASP N N 15 122.956 0.4 . 1 . . . . 203 D N . 16244 1 113 . 1 1 91 91 SER H H 1 8.247 0.02 . 1 . . . . 204 S H . 16244 1 114 . 1 1 91 91 SER N N 15 116.806 0.4 . 1 . . . . 204 S N . 16244 1 115 . 1 1 92 92 ALA H H 1 8.361 0.02 . 1 . . . . 205 A H . 16244 1 116 . 1 1 92 92 ALA N N 15 124.797 0.4 . 1 . . . . 205 A N . 16244 1 117 . 1 1 93 93 THR H H 1 7.897 0.02 . 1 . . . . 206 T H . 16244 1 118 . 1 1 93 93 THR N N 15 112.673 0.4 . 1 . . . . 206 T N . 16244 1 119 . 1 1 94 94 LEU H H 1 8.114 0.02 . 1 . . . . 207 L H . 16244 1 120 . 1 1 94 94 LEU N N 15 123.404 0.4 . 1 . . . . 207 L N . 16244 1 121 . 1 1 99 99 ILE H H 1 9.444 0.02 . 1 . . . . 212 I H . 16244 1 122 . 1 1 99 99 ILE N N 15 120.993 0.4 . 1 . . . . 212 I N . 16244 1 123 . 1 1 100 100 MET H H 1 9.297 0.02 . 1 . . . . 213 M H . 16244 1 124 . 1 1 100 100 MET N N 15 122.222 0.4 . 1 . . . . 213 M N . 16244 1 125 . 1 1 101 101 ILE H H 1 8.911 0.02 . 1 . . . . 214 I H . 16244 1 126 . 1 1 101 101 ILE N N 15 129.043 0.4 . 1 . . . . 214 I N . 16244 1 127 . 1 1 102 102 ARG H H 1 9.189 0.02 . 1 . . . . 215 R H . 16244 1 128 . 1 1 102 102 ARG N N 15 123.126 0.4 . 1 . . . . 215 R N . 16244 1 129 . 1 1 103 103 ASN H H 1 8.327 0.02 . 1 . . . . 216 N H . 16244 1 130 . 1 1 103 103 ASN N N 15 114.267 0.4 . 1 . . . . 216 N N . 16244 1 131 . 1 1 104 104 LEU H H 1 8.021 0.02 . 1 . . . . 217 L H . 16244 1 132 . 1 1 104 104 LEU N N 15 115.432 0.4 . 1 . . . . 217 L N . 16244 1 133 . 1 1 105 105 SER H H 1 6.463 0.02 . 1 . . . . 218 S H . 16244 1 134 . 1 1 105 105 SER N N 15 114.278 0.4 . 1 . . . . 218 S N . 16244 1 135 . 1 1 106 106 THR H H 1 8.952 0.02 . 1 . . . . 219 T H . 16244 1 136 . 1 1 106 106 THR N N 15 112.809 0.4 . 1 . . . . 219 T N . 16244 1 137 . 1 1 107 107 GLU H H 1 8.315 0.02 . 1 . . . . 220 E H . 16244 1 138 . 1 1 107 107 GLU N N 15 119.606 0.4 . 1 . . . . 220 E N . 16244 1 139 . 1 1 108 108 LEU H H 1 7.254 0.02 . 1 . . . . 221 L H . 16244 1 140 . 1 1 108 108 LEU N N 15 118.157 0.4 . 1 . . . . 221 L N . 16244 1 141 . 1 1 109 109 LEU H H 1 6.936 0.02 . 1 . . . . 222 L H . 16244 1 142 . 1 1 109 109 LEU N N 15 118.341 0.4 . 1 . . . . 222 L N . 16244 1 143 . 1 1 110 110 ASP H H 1 7.819 0.02 . 1 . . . . 223 D H . 16244 1 144 . 1 1 110 110 ASP N N 15 124.773 0.4 . 1 . . . . 223 D N . 16244 1 145 . 1 1 111 111 GLU H H 1 9.465 0.02 . 1 . . . . 224 E H . 16244 1 146 . 1 1 111 111 GLU N N 15 126.614 0.4 . 1 . . . . 224 E N . 16244 1 147 . 1 1 112 112 ASN H H 1 8.245 0.02 . 1 . . . . 225 N H . 16244 1 148 . 1 1 112 112 ASN N N 15 116.892 0.4 . 1 . . . . 225 N N . 16244 1 149 . 1 1 113 113 LEU H H 1 7.893 0.02 . 1 . . . . 226 L H . 16244 1 150 . 1 1 113 113 LEU N N 15 122.826 0.4 . 1 . . . . 226 L N . 16244 1 151 . 1 1 117 117 SER H H 1 7.821 0.02 . 1 . . . . 230 S H . 16244 1 152 . 1 1 117 117 SER N N 15 111.887 0.4 . 1 . . . . 230 S N . 16244 1 153 . 1 1 118 118 PHE H H 1 7.835 0.02 . 1 . . . . 231 F H . 16244 1 154 . 1 1 118 118 PHE N N 15 116.635 0.4 . 1 . . . . 231 F N . 16244 1 155 . 1 1 119 119 GLU H H 1 8.751 0.02 . 1 . . . . 232 E H . 16244 1 156 . 1 1 119 119 GLU N N 15 120.594 0.4 . 1 . . . . 232 E N . 16244 1 157 . 1 1 120 120 GLY H H 1 8.57 0.02 . 1 . . . . 233 G H . 16244 1 158 . 1 1 120 120 GLY N N 15 108.716 0.4 . 1 . . . . 233 G N . 16244 1 159 . 1 1 121 121 PHE H H 1 7.755 0.02 . 1 . . . . 234 F H . 16244 1 160 . 1 1 121 121 PHE N N 15 117.216 0.4 . 1 . . . . 234 F N . 16244 1 161 . 1 1 122 122 GLY H H 1 7.559 0.02 . 1 . . . . 235 G H . 16244 1 162 . 1 1 122 122 GLY N N 15 106.468 0.4 . 1 . . . . 235 G N . 16244 1 163 . 1 1 123 123 SER H H 1 8.212 0.02 . 1 . . . . 236 S H . 16244 1 164 . 1 1 123 123 SER N N 15 110.838 0.4 . 1 . . . . 236 S N . 16244 1 165 . 1 1 124 124 ILE H H 1 9.026 0.02 . 1 . . . . 237 I H . 16244 1 166 . 1 1 124 124 ILE N N 15 129.599 0.4 . 1 . . . . 237 I N . 16244 1 167 . 1 1 126 126 LYS H H 1 7.497 0.02 . 1 . . . . 239 K H . 16244 1 168 . 1 1 126 126 LYS N N 15 116.093 0.4 . 1 . . . . 239 K N . 16244 1 169 . 1 1 127 127 ILE H H 1 8.587 0.02 . 1 . . . . 240 I H . 16244 1 170 . 1 1 127 127 ILE N N 15 124.085 0.4 . 1 . . . . 240 I N . 16244 1 171 . 1 1 128 128 ASN H H 1 9.211 0.02 . 1 . . . . 241 N H . 16244 1 172 . 1 1 128 128 ASN N N 15 125.673 0.4 . 1 . . . . 241 N N . 16244 1 173 . 1 1 129 129 ILE H H 1 8.901 0.02 . 1 . . . . 242 I H . 16244 1 174 . 1 1 129 129 ILE N N 15 127.462 0.4 . 1 . . . . 242 I N . 16244 1 175 . 1 1 131 131 ALA H H 1 8.729 0.02 . 1 . . . . 244 A H . 16244 1 176 . 1 1 131 131 ALA N N 15 126.97 0.4 . 1 . . . . 244 A N . 16244 1 177 . 1 1 132 132 GLY H H 1 8.608 0.02 . 1 . . . . 245 G H . 16244 1 178 . 1 1 132 132 GLY N N 15 107.887 0.4 . 1 . . . . 245 G N . 16244 1 179 . 1 1 133 133 GLN H H 1 7.947 0.02 . 1 . . . . 246 Q H . 16244 1 180 . 1 1 133 133 GLN N N 15 118.267 0.4 . 1 . . . . 246 Q N . 16244 1 181 . 1 1 134 134 LYS H H 1 8.15 0.02 . 1 . . . . 247 K H . 16244 1 182 . 1 1 134 134 LYS N N 15 117.586 0.4 . 1 . . . . 247 K N . 16244 1 183 . 1 1 135 135 GLU H H 1 8.797 0.02 . 1 . . . . 248 E H . 16244 1 184 . 1 1 135 135 GLU N N 15 119.486 0.4 . 1 . . . . 248 E N . 16244 1 185 . 1 1 136 136 HIS H H 1 7.266 0.02 . 1 . . . . 249 H H . 16244 1 186 . 1 1 136 136 HIS N N 15 115.101 0.4 . 1 . . . . 249 H N . 16244 1 187 . 1 1 140 140 ASN H H 1 8.13 0.02 . 1 . . . . 253 N H . 16244 1 188 . 1 1 140 140 ASN N N 15 118.496 0.4 . 1 . . . . 253 N N . 16244 1 189 . 1 1 141 141 CYS H H 1 8.914 0.02 . 1 . . . . 254 C H . 16244 1 190 . 1 1 141 141 CYS N N 15 121.161 0.4 . 1 . . . . 254 C N . 16244 1 191 . 1 1 142 142 CYS H H 1 9.617 0.02 . 1 . . . . 255 C H . 16244 1 192 . 1 1 142 142 CYS N N 15 118.094 0.4 . 1 . . . . 255 C N . 16244 1 193 . 1 1 143 143 ALA H H 1 8.436 0.02 . 1 . . . . 256 A H . 16244 1 194 . 1 1 143 143 ALA N N 15 119.328 0.4 . 1 . . . . 256 A N . 16244 1 195 . 1 1 144 144 PHE H H 1 8.756 0.02 . 1 . . . . 257 F H . 16244 1 196 . 1 1 144 144 PHE N N 15 117.783 0.4 . 1 . . . . 257 F N . 16244 1 197 . 1 1 145 145 MET H H 1 8.758 0.02 . 1 . . . . 258 M H . 16244 1 198 . 1 1 145 145 MET N N 15 121.312 0.4 . 1 . . . . 258 M N . 16244 1 199 . 1 1 146 146 VAL H H 1 8.923 0.02 . 1 . . . . 259 V H . 16244 1 200 . 1 1 146 146 VAL N N 15 125.906 0.4 . 1 . . . . 259 V N . 16244 1 201 . 1 1 147 147 PHE H H 1 9.152 0.02 . 1 . . . . 260 F H . 16244 1 202 . 1 1 147 147 PHE N N 15 126.73 0.4 . 1 . . . . 260 F N . 16244 1 203 . 1 1 148 148 GLU H H 1 8.349 0.02 . 1 . . . . 261 E H . 16244 1 204 . 1 1 148 148 GLU N N 15 119.357 0.4 . 1 . . . . 261 E N . 16244 1 205 . 1 1 149 149 ASN H H 1 8.293 0.02 . 1 . . . . 262 N H . 16244 1 206 . 1 1 149 149 ASN N N 15 112.244 0.4 . 1 . . . . 262 N N . 16244 1 207 . 1 1 150 150 LYS H H 1 9.023 0.02 . 1 . . . . 263 K H . 16244 1 208 . 1 1 150 150 LYS N N 15 122.32 0.4 . 1 . . . . 263 K N . 16244 1 209 . 1 1 151 151 ASP H H 1 8.613 0.02 . 1 . . . . 264 D H . 16244 1 210 . 1 1 151 151 ASP N N 15 119.694 0.4 . 1 . . . . 264 D N . 16244 1 211 . 1 1 152 152 SER H H 1 7.708 0.02 . 1 . . . . 265 S H . 16244 1 212 . 1 1 152 152 SER N N 15 116.086 0.4 . 1 . . . . 265 S N . 16244 1 213 . 1 1 153 153 ALA H H 1 6.537 0.02 . 1 . . . . 266 A H . 16244 1 214 . 1 1 153 153 ALA N N 15 122.136 0.4 . 1 . . . . 266 A N . 16244 1 215 . 1 1 154 154 GLU H H 1 7.675 0.02 . 1 . . . . 267 E H . 16244 1 216 . 1 1 154 154 GLU N N 15 113.296 0.4 . 1 . . . . 267 E N . 16244 1 217 . 1 1 155 155 ARG H H 1 7.803 0.02 . 1 . . . . 268 R H . 16244 1 218 . 1 1 155 155 ARG N N 15 119.839 0.4 . 1 . . . . 268 R N . 16244 1 219 . 1 1 156 156 ALA H H 1 7.522 0.02 . 1 . . . . 269 A H . 16244 1 220 . 1 1 156 156 ALA N N 15 120.919 0.4 . 1 . . . . 269 A N . 16244 1 221 . 1 1 157 157 LEU H H 1 7.158 0.02 . 1 . . . . 270 L H . 16244 1 222 . 1 1 157 157 LEU N N 15 115.404 0.4 . 1 . . . . 270 L N . 16244 1 223 . 1 1 158 158 GLN H H 1 7.849 0.02 . 1 . . . . 271 Q H . 16244 1 224 . 1 1 158 158 GLN N N 15 119.19 0.4 . 1 . . . . 271 Q N . 16244 1 225 . 1 1 159 159 MET H H 1 7.727 0.02 . 1 . . . . 272 M H . 16244 1 226 . 1 1 159 159 MET N N 15 114.882 0.4 . 1 . . . . 272 M N . 16244 1 227 . 1 1 160 160 ASN H H 1 7.922 0.02 . 1 . . . . 273 N H . 16244 1 228 . 1 1 160 160 ASN N N 15 119.181 0.4 . 1 . . . . 273 N N . 16244 1 229 . 1 1 161 161 ARG H H 1 8.915 0.02 . 1 . . . . 274 R H . 16244 1 230 . 1 1 161 161 ARG N N 15 121.292 0.4 . 1 . . . . 274 R N . 16244 1 231 . 1 1 162 162 SER H H 1 7.828 0.02 . 1 . . . . 275 S H . 16244 1 232 . 1 1 162 162 SER N N 15 114.939 0.4 . 1 . . . . 275 S N . 16244 1 233 . 1 1 163 163 LEU H H 1 8.148 0.02 . 1 . . . . 276 L H . 16244 1 234 . 1 1 163 163 LEU N N 15 120.168 0.4 . 1 . . . . 276 L N . 16244 1 235 . 1 1 164 164 LEU H H 1 9.086 0.02 . 1 . . . . 277 L H . 16244 1 236 . 1 1 164 164 LEU N N 15 129.3 0.4 . 1 . . . . 277 L N . 16244 1 237 . 1 1 165 165 GLY H H 1 8.896 0.02 . 1 . . . . 278 G H . 16244 1 238 . 1 1 165 165 GLY N N 15 114.429 0.4 . 1 . . . . 278 G N . 16244 1 239 . 1 1 166 166 ASN H H 1 8.347 0.02 . 1 . . . . 279 N H . 16244 1 240 . 1 1 166 166 ASN N N 15 120.308 0.4 . 1 . . . . 279 N N . 16244 1 241 . 1 1 167 167 ARG H H 1 8.083 0.02 . 1 . . . . 280 R H . 16244 1 242 . 1 1 167 167 ARG N N 15 119.633 0.4 . 1 . . . . 280 R N . 16244 1 243 . 1 1 168 168 GLU H H 1 8.383 0.02 . 1 . . . . 281 E H . 16244 1 244 . 1 1 168 168 GLU N N 15 122.767 0.4 . 1 . . . . 281 E N . 16244 1 245 . 1 1 169 169 ILE H H 1 8.612 0.02 . 1 . . . . 282 I H . 16244 1 246 . 1 1 169 169 ILE N N 15 122.928 0.4 . 1 . . . . 282 I N . 16244 1 247 . 1 1 170 170 SER H H 1 8.028 0.02 . 1 . . . . 283 S H . 16244 1 248 . 1 1 170 170 SER N N 15 115.898 0.4 . 1 . . . . 283 S N . 16244 1 249 . 1 1 171 171 VAL H H 1 8.968 0.02 . 1 . . . . 284 V H . 16244 1 250 . 1 1 171 171 VAL N N 15 126.282 0.4 . 1 . . . . 284 V N . 16244 1 251 . 1 1 172 172 SER H H 1 8.492 0.02 . 1 . . . . 285 S H . 16244 1 252 . 1 1 172 172 SER N N 15 119.093 0.4 . 1 . . . . 285 S N . 16244 1 253 . 1 1 173 173 LEU H H 1 8.885 0.02 . 1 . . . . 286 L H . 16244 1 254 . 1 1 173 173 LEU N N 15 122.153 0.4 . 1 . . . . 286 L N . 16244 1 255 . 1 1 174 174 ALA H H 1 8.573 0.02 . 1 . . . . 287 A H . 16244 1 256 . 1 1 174 174 ALA N N 15 126.929 0.4 . 1 . . . . 287 A N . 16244 1 257 . 1 1 175 175 ASP H H 1 8.508 0.02 . 1 . . . . 288 D H . 16244 1 258 . 1 1 175 175 ASP N N 15 120.161 0.4 . 1 . . . . 288 D N . 16244 1 259 . 1 1 176 176 LYS H H 1 8.233 0.02 . 1 . . . . 289 K H . 16244 1 260 . 1 1 176 176 LYS N N 15 121.113 0.4 . 1 . . . . 289 K N . 16244 1 261 . 1 1 177 177 LYS H H 1 8.361 0.02 . 1 . . . . 290 K H . 16244 1 262 . 1 1 177 177 LYS N N 15 124.58 0.4 . 1 . . . . 290 K N . 16244 1 stop_ save_