################################### # 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50769 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 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 $chem_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 1 '2D 1H-15N TROSY' . . . 50769 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 1 $software_1 . . 50769 1 2 $software_2 . . 50769 1 3 $software_3 . . 50769 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 40 40 ILE H H 1 8.439 0.001 . 1 . . . . . 166 ILE H . 50769 1 2 . 1 . 1 40 40 ILE N N 15 118.946 0.006 . 1 . . . . . 166 ILE N . 50769 1 3 . 1 . 1 42 42 VAL H H 1 8.118 0.001 . 1 . . . . . 168 VAL H . 50769 1 4 . 1 . 1 42 42 VAL N N 15 118.637 0.006 . 1 . . . . . 168 VAL N . 50769 1 5 . 1 . 1 43 43 LYS H H 1 8.785 0.000 . 1 . . . . . 169 LYS H . 50769 1 6 . 1 . 1 43 43 LYS N N 15 128.441 0.010 . 1 . . . . . 169 LYS N . 50769 1 7 . 1 . 1 44 44 VAL H H 1 9.315 0.002 . 1 . . . . . 170 VAL H . 50769 1 8 . 1 . 1 44 44 VAL N N 15 126.947 0.010 . 1 . . . . . 170 VAL N . 50769 1 9 . 1 . 1 45 45 SER H H 1 9.598 0.002 . 1 . . . . . 171 SER H . 50769 1 10 . 1 . 1 45 45 SER N N 15 122.125 0.002 . 1 . . . . . 171 SER N . 50769 1 11 . 1 . 1 46 46 GLY H H 1 8.268 0.002 . 1 . . . . . 172 GLY H . 50769 1 12 . 1 . 1 46 46 GLY N N 15 110.123 0.010 . 1 . . . . . 172 GLY N . 50769 1 13 . 1 . 1 47 47 GLU H H 1 8.612 0.001 . 1 . . . . . 173 GLU H . 50769 1 14 . 1 . 1 47 47 GLU N N 15 118.210 0.015 . 1 . . . . . 173 GLU N . 50769 1 15 . 1 . 1 48 48 ASN H H 1 9.313 0.002 . 1 . . . . . 174 ASN H . 50769 1 16 . 1 . 1 48 48 ASN N N 15 120.485 0.000 . 1 . . . . . 174 ASN N . 50769 1 17 . 1 . 1 53 53 ILE H H 1 8.151 0.002 . 1 . . . . . 179 ILE H . 50769 1 18 . 1 . 1 53 53 ILE N N 15 113.415 0.007 . 1 . . . . . 179 ILE N . 50769 1 19 . 1 . 1 54 54 GLU H H 1 8.779 0.004 . 1 . . . . . 180 GLU H . 50769 1 20 . 1 . 1 54 54 GLU N N 15 117.152 0.010 . 1 . . . . . 180 GLU N . 50769 1 21 . 1 . 1 55 55 SER H H 1 7.275 0.001 . 1 . . . . . 181 SER H . 50769 1 22 . 1 . 1 55 55 SER N N 15 108.720 0.009 . 1 . . . . . 181 SER N . 50769 1 23 . 1 . 1 56 56 PHE H H 1 9.374 0.001 . 1 . . . . . 182 PHE H . 50769 1 24 . 1 . 1 56 56 PHE N N 15 120.209 0.006 . 1 . . . . . 182 PHE N . 50769 1 25 . 1 . 1 57 57 GLU H H 1 10.325 0.001 . 1 . . . . . 183 GLU H . 50769 1 26 . 1 . 1 57 57 GLU N N 15 118.794 0.012 . 1 . . . . . 183 GLU N . 50769 1 27 . 1 . 1 58 58 THR H H 1 7.249 0.000 . 1 . . . . . 184 THR H . 50769 1 28 . 1 . 1 58 58 THR N N 15 107.809 0.004 . 1 . . . . . 184 THR N . 50769 1 29 . 1 . 1 59 59 ALA H H 1 7.220 0.001 . 1 . . . . . 185 ALA H . 50769 1 30 . 1 . 1 59 59 ALA N N 15 122.449 0.006 . 1 . . . . . 185 ALA N . 50769 1 31 . 1 . 1 60 60 ASN H H 1 8.331 0.002 . 1 . . . . . 186 ASN H . 50769 1 32 . 1 . 1 60 60 ASN N N 15 113.653 0.008 . 1 . . . . . 186 ASN N . 50769 1 33 . 1 . 1 61 61 LEU H H 1 8.530 0.001 . 1 . . . . . 187 LEU H . 50769 1 34 . 1 . 1 61 61 LEU N N 15 116.083 0.018 . 1 . . . . . 187 LEU N . 50769 1 35 . 1 . 1 62 62 ARG H H 1 9.443 0.004 . 1 . . . . . 188 ARG H . 50769 1 36 . 1 . 1 62 62 ARG N N 15 123.264 0.006 . 1 . . . . . 188 ARG N . 50769 1 37 . 1 . 1 64 64 TYR H H 1 8.105 0.008 . 1 . . . . . 190 TYR H . 50769 1 38 . 1 . 1 64 64 TYR N N 15 114.169 0.004 . 1 . . . . . 190 TYR N . 50769 1 39 . 1 . 1 65 65 VAL H H 1 6.698 0.001 . 1 . . . . . 191 VAL H . 50769 1 40 . 1 . 1 65 65 VAL N N 15 117.826 0.008 . 1 . . . . . 191 VAL N . 50769 1 41 . 1 . 1 66 66 LEU H H 1 8.032 0.001 . 1 . . . . . 192 LEU H . 50769 1 42 . 1 . 1 66 66 LEU N N 15 119.870 0.011 . 1 . . . . . 192 LEU N . 50769 1 43 . 1 . 1 67 67 ASP H H 1 8.544 0.001 . 1 . . . . . 193 ASP H . 50769 1 44 . 1 . 1 67 67 ASP N N 15 116.375 0.017 . 1 . . . . . 193 ASP N . 50769 1 45 . 1 . 1 68 68 ASN H H 1 7.530 0.001 . 1 . . . . . 194 ASN H . 50769 1 46 . 1 . 1 68 68 ASN N N 15 118.226 0.011 . 1 . . . . . 194 ASN N . 50769 1 47 . 1 . 1 69 69 VAL H H 1 8.385 0.000 . 1 . . . . . 195 VAL H . 50769 1 48 . 1 . 1 69 69 VAL N N 15 123.930 0.008 . 1 . . . . . 195 VAL N . 50769 1 49 . 1 . 1 70 70 LEU H H 1 8.096 0.001 . 1 . . . . . 196 LEU H . 50769 1 50 . 1 . 1 70 70 LEU N N 15 118.097 0.014 . 1 . . . . . 196 LEU N . 50769 1 51 . 1 . 1 71 71 LYS H H 1 8.408 0.000 . 1 . . . . . 197 LYS H . 50769 1 52 . 1 . 1 71 71 LYS N N 15 121.024 0.015 . 1 . . . . . 197 LYS N . 50769 1 53 . 1 . 1 72 72 ALA H H 1 7.524 0.000 . 1 . . . . . 198 ALA H . 50769 1 54 . 1 . 1 72 72 ALA N N 15 119.149 0.000 . 1 . . . . . 198 ALA N . 50769 1 55 . 1 . 1 73 73 GLY H H 1 7.798 0.002 . 1 . . . . . 199 GLY H . 50769 1 56 . 1 . 1 73 73 GLY N N 15 104.889 0.002 . 1 . . . . . 199 GLY N . 50769 1 57 . 1 . 1 74 74 TYR H H 1 7.370 0.001 . 1 . . . . . 200 TYR H . 50769 1 58 . 1 . 1 74 74 TYR N N 15 121.453 0.008 . 1 . . . . . 200 TYR N . 50769 1 59 . 1 . 1 76 76 LYS H H 1 8.234 0.002 . 1 . . . . . 202 LYS H . 50769 1 60 . 1 . 1 76 76 LYS N N 15 120.088 0.006 . 1 . . . . . 202 LYS N . 50769 1 61 . 1 . 1 80 80 ILE H H 1 9.337 0.004 . 1 . . . . . 206 ILE H . 50769 1 62 . 1 . 1 80 80 ILE N N 15 115.243 0.007 . 1 . . . . . 206 ILE N . 50769 1 63 . 1 . 1 81 81 GLN H H 1 7.047 0.001 . 1 . . . . . 207 GLN H . 50769 1 64 . 1 . 1 81 81 GLN N N 15 123.519 0.005 . 1 . . . . . 207 GLN N . 50769 1 65 . 1 . 1 82 82 LYS H H 1 8.722 0.000 . 1 . . . . . 208 LYS H . 50769 1 66 . 1 . 1 82 82 LYS N N 15 115.675 0.011 . 1 . . . . . 208 LYS N . 50769 1 67 . 1 . 1 83 83 ASN H H 1 6.876 0.001 . 1 . . . . . 209 ASN H . 50769 1 68 . 1 . 1 83 83 ASN N N 15 110.097 0.013 . 1 . . . . . 209 ASN N . 50769 1 69 . 1 . 1 84 84 ALA H H 1 9.028 0.000 . 1 . . . . . 210 ALA H . 50769 1 70 . 1 . 1 84 84 ALA N N 15 117.823 0.011 . 1 . . . . . 210 ALA N . 50769 1 71 . 1 . 1 85 85 ILE H H 1 7.810 0.001 . 1 . . . . . 211 ILE H . 50769 1 72 . 1 . 1 85 85 ILE N N 15 113.486 0.016 . 1 . . . . . 211 ILE N . 50769 1 73 . 1 . 1 87 87 ILE H H 1 7.060 0.000 . 1 . . . . . 213 ILE H . 50769 1 74 . 1 . 1 87 87 ILE N N 15 119.516 0.005 . 1 . . . . . 213 ILE N . 50769 1 75 . 1 . 1 88 88 ILE H H 1 8.657 0.002 . 1 . . . . . 214 ILE H . 50769 1 76 . 1 . 1 88 88 ILE N N 15 120.777 0.003 . 1 . . . . . 214 ILE N . 50769 1 77 . 1 . 1 89 89 MET H H 1 8.471 0.002 . 1 . . . . . 215 MET H . 50769 1 78 . 1 . 1 89 89 MET N N 15 117.956 0.011 . 1 . . . . . 215 MET N . 50769 1 79 . 1 . 1 90 90 SER H H 1 7.629 0.000 . 1 . . . . . 216 SER H . 50769 1 80 . 1 . 1 90 90 SER N N 15 112.764 0.008 . 1 . . . . . 216 SER N . 50769 1 81 . 1 . 1 91 91 GLY H H 1 8.096 0.001 . 1 . . . . . 217 GLY H . 50769 1 82 . 1 . 1 91 91 GLY N N 15 108.323 0.006 . 1 . . . . . 217 GLY N . 50769 1 83 . 1 . 1 92 92 ARG H H 1 6.985 0.001 . 1 . . . . . 218 ARG H . 50769 1 84 . 1 . 1 92 92 ARG N N 15 118.392 0.009 . 1 . . . . . 218 ARG N . 50769 1 85 . 1 . 1 93 93 ASP H H 1 8.342 0.002 . 1 . . . . . 219 ASP H . 50769 1 86 . 1 . 1 93 93 ASP N N 15 121.603 0.013 . 1 . . . . . 219 ASP N . 50769 1 87 . 1 . 1 94 94 LEU H H 1 7.245 0.001 . 1 . . . . . 220 LEU H . 50769 1 88 . 1 . 1 94 94 LEU N N 15 118.446 0.014 . 1 . . . . . 220 LEU N . 50769 1 89 . 1 . 1 95 95 MET H H 1 8.857 0.000 . 1 . . . . . 221 MET H . 50769 1 90 . 1 . 1 95 95 MET N N 15 126.829 0.012 . 1 . . . . . 221 MET N . 50769 1 91 . 1 . 1 96 96 GLY H H 1 9.237 0.001 . 1 . . . . . 222 GLY H . 50769 1 92 . 1 . 1 96 96 GLY N N 15 113.283 0.006 . 1 . . . . . 222 GLY N . 50769 1 93 . 1 . 1 97 97 CYS H H 1 9.254 0.001 . 1 . . . . . 223 CYS H . 50769 1 94 . 1 . 1 97 97 CYS N N 15 125.649 0.003 . 1 . . . . . 223 CYS N . 50769 1 95 . 1 . 1 98 98 ALA H H 1 7.974 0.002 . 1 . . . . . 224 ALA H . 50769 1 96 . 1 . 1 98 98 ALA N N 15 124.787 0.005 . 1 . . . . . 224 ALA N . 50769 1 97 . 1 . 1 99 99 GLN H H 1 8.840 0.002 . 1 . . . . . 225 GLN H . 50769 1 98 . 1 . 1 99 99 GLN N N 15 118.719 0.005 . 1 . . . . . 225 GLN N . 50769 1 99 . 1 . 1 102 102 SER H H 1 8.138 0.000 . 1 . . . . . 228 SER H . 50769 1 100 . 1 . 1 102 102 SER N N 15 114.923 0.020 . 1 . . . . . 228 SER N . 50769 1 101 . 1 . 1 103 103 GLY H H 1 9.382 0.000 . 1 . . . . . 229 GLY H . 50769 1 102 . 1 . 1 103 103 GLY N N 15 115.361 0.000 . 1 . . . . . 229 GLY N . 50769 1 103 . 1 . 1 104 104 LYS H H 1 8.010 0.003 . 1 . . . . . 230 LYS H . 50769 1 104 . 1 . 1 104 104 LYS N N 15 122.218 0.006 . 1 . . . . . 230 LYS N . 50769 1 105 . 1 . 1 105 105 THR H H 1 8.217 0.001 . 1 . . . . . 231 THR H . 50769 1 106 . 1 . 1 105 105 THR N N 15 114.299 0.005 . 1 . . . . . 231 THR N . 50769 1 107 . 1 . 1 106 106 ALA H H 1 8.368 0.000 . 1 . . . . . 232 ALA H . 50769 1 108 . 1 . 1 106 106 ALA N N 15 121.971 0.009 . 1 . . . . . 232 ALA N . 50769 1 109 . 1 . 1 107 107 ALA H H 1 7.244 0.001 . 1 . . . . . 233 ALA H . 50769 1 110 . 1 . 1 107 107 ALA N N 15 114.834 0.015 . 1 . . . . . 233 ALA N . 50769 1 111 . 1 . 1 108 108 PHE H H 1 6.727 0.001 . 1 . . . . . 234 PHE H . 50769 1 112 . 1 . 1 108 108 PHE N N 15 102.435 0.022 . 1 . . . . . 234 PHE N . 50769 1 113 . 1 . 1 109 109 LEU H H 1 7.940 0.000 . 1 . . . . . 235 LEU H . 50769 1 114 . 1 . 1 109 109 LEU N N 15 121.959 0.016 . 1 . . . . . 235 LEU N . 50769 1 115 . 1 . 1 117 117 LEU H H 1 7.363 0.000 . 1 . . . . . 243 LEU H . 50769 1 116 . 1 . 1 117 117 LEU N N 15 114.936 0.002 . 1 . . . . . 243 LEU N . 50769 1 117 . 1 . 1 118 118 GLN H H 1 8.521 0.002 . 1 . . . . . 244 GLN H . 50769 1 118 . 1 . 1 118 118 GLN N N 15 119.362 0.006 . 1 . . . . . 244 GLN N . 50769 1 119 . 1 . 1 119 119 ASP H H 1 7.627 0.000 . 1 . . . . . 245 ASP H . 50769 1 120 . 1 . 1 119 119 ASP N N 15 116.487 0.000 . 1 . . . . . 245 ASP N . 50769 1 121 . 1 . 1 121 121 LYS H H 1 8.877 0.001 . 1 . . . . . 247 LYS H . 50769 1 122 . 1 . 1 121 121 LYS N N 15 121.507 0.007 . 1 . . . . . 247 LYS N . 50769 1 123 . 1 . 1 122 122 ASP H H 1 8.735 0.006 . 1 . . . . . 248 ASP H . 50769 1 124 . 1 . 1 122 122 ASP N N 15 124.138 0.007 . 1 . . . . . 248 ASP N . 50769 1 125 . 1 . 1 123 123 LEU H H 1 8.501 0.004 . 1 . . . . . 249 LEU H . 50769 1 126 . 1 . 1 123 123 LEU N N 15 121.845 0.001 . 1 . . . . . 249 LEU N . 50769 1 127 . 1 . 1 124 124 ILE H H 1 8.842 0.002 . 1 . . . . . 250 ILE H . 50769 1 128 . 1 . 1 124 124 ILE N N 15 124.961 0.013 . 1 . . . . . 250 ILE N . 50769 1 129 . 1 . 1 125 125 SER H H 1 8.428 0.012 . 1 . . . . . 251 SER H . 50769 1 130 . 1 . 1 125 125 SER N N 15 121.487 0.207 . 1 . . . . . 251 SER N . 50769 1 131 . 1 . 1 126 126 GLU H H 1 8.014 0.002 . 1 . . . . . 252 GLU H . 50769 1 132 . 1 . 1 126 126 GLU N N 15 124.057 0.010 . 1 . . . . . 252 GLU N . 50769 1 133 . 1 . 1 129 129 CYS H H 1 7.778 0.001 . 1 . . . . . 255 CYS H . 50769 1 134 . 1 . 1 129 129 CYS N N 15 121.266 0.010 . 1 . . . . . 255 CYS N . 50769 1 135 . 1 . 1 130 130 ALA H H 1 7.887 0.000 . 1 . . . . . 256 ALA H . 50769 1 136 . 1 . 1 130 130 ALA N N 15 132.226 0.000 . 1 . . . . . 256 ALA N . 50769 1 137 . 1 . 1 131 131 GLN H H 1 7.681 0.000 . 1 . . . . . 257 GLN H . 50769 1 138 . 1 . 1 131 131 GLN N N 15 118.585 0.019 . 1 . . . . . 257 GLN N . 50769 1 139 . 1 . 1 142 142 GLU H H 1 8.967 0.002 . 1 . . . . . 268 GLU H . 50769 1 140 . 1 . 1 142 142 GLU N N 15 117.126 0.018 . 1 . . . . . 268 GLU N . 50769 1 141 . 1 . 1 143 143 LEU H H 1 7.544 0.001 . 1 . . . . . 269 LEU H . 50769 1 142 . 1 . 1 143 143 LEU N N 15 119.911 0.011 . 1 . . . . . 269 LEU N . 50769 1 143 . 1 . 1 144 144 THR H H 1 8.075 0.000 . 1 . . . . . 270 THR H . 50769 1 144 . 1 . 1 144 144 THR N N 15 113.546 0.011 . 1 . . . . . 270 THR N . 50769 1 145 . 1 . 1 145 145 LEU H H 1 8.159 0.000 . 1 . . . . . 271 LEU H . 50769 1 146 . 1 . 1 145 145 LEU N N 15 120.936 0.016 . 1 . . . . . 271 LEU N . 50769 1 147 . 1 . 1 146 146 GLN H H 1 7.675 0.001 . 1 . . . . . 272 GLN H . 50769 1 148 . 1 . 1 146 146 GLN N N 15 119.663 0.018 . 1 . . . . . 272 GLN N . 50769 1 149 . 1 . 1 152 152 ARG H H 1 7.955 0.000 . 1 . . . . . 278 ARG H . 50769 1 150 . 1 . 1 152 152 ARG N N 15 117.852 0.009 . 1 . . . . . 278 ARG N . 50769 1 151 . 1 . 1 153 153 LYS H H 1 7.184 0.000 . 1 . . . . . 279 LYS H . 50769 1 152 . 1 . 1 153 153 LYS N N 15 118.793 0.000 . 1 . . . . . 279 LYS N . 50769 1 153 . 1 . 1 154 154 PHE H H 1 7.841 0.000 . 1 . . . . . 280 PHE H . 50769 1 154 . 1 . 1 154 154 PHE N N 15 115.252 0.000 . 1 . . . . . 280 PHE N . 50769 1 155 . 1 . 1 155 155 SER H H 1 7.787 0.005 . 1 . . . . . 281 SER H . 50769 1 156 . 1 . 1 155 155 SER N N 15 109.151 0.269 . 1 . . . . . 281 SER N . 50769 1 157 . 1 . 1 156 156 TYR H H 1 7.165 0.000 . 1 . . . . . 282 TYR H . 50769 1 158 . 1 . 1 156 156 TYR N N 15 126.951 0.007 . 1 . . . . . 282 TYR N . 50769 1 159 . 1 . 1 158 158 SER H H 1 8.086 0.000 . 1 . . . . . 284 SER H . 50769 1 160 . 1 . 1 158 158 SER N N 15 115.985 0.014 . 1 . . . . . 284 SER N . 50769 1 161 . 1 . 1 159 159 VAL H H 1 8.080 0.001 . 1 . . . . . 285 VAL H . 50769 1 162 . 1 . 1 159 159 VAL N N 15 111.970 0.004 . 1 . . . . . 285 VAL N . 50769 1 163 . 1 . 1 160 160 LEU H H 1 7.698 0.002 . 1 . . . . . 286 LEU H . 50769 1 164 . 1 . 1 160 160 LEU N N 15 117.932 0.008 . 1 . . . . . 286 LEU N . 50769 1 165 . 1 . 1 161 161 LYS H H 1 11.280 0.001 . 1 . . . . . 287 LYS H . 50769 1 166 . 1 . 1 161 161 LYS N N 15 127.256 0.004 . 1 . . . . . 287 LYS N . 50769 1 167 . 1 . 1 163 163 ALA H H 1 9.193 0.000 . 1 . . . . . 289 ALA H . 50769 1 168 . 1 . 1 163 163 ALA N N 15 130.361 0.006 . 1 . . . . . 289 ALA N . 50769 1 169 . 1 . 1 164 164 VAL H H 1 8.147 0.001 . 1 . . . . . 290 VAL H . 50769 1 170 . 1 . 1 164 164 VAL N N 15 118.171 0.007 . 1 . . . . . 290 VAL N . 50769 1 171 . 1 . 1 165 165 ALA H H 1 8.628 0.000 . 1 . . . . . 291 ALA H . 50769 1 172 . 1 . 1 165 165 ALA N N 15 127.365 0.007 . 1 . . . . . 291 ALA N . 50769 1 173 . 1 . 1 170 170 ALA H H 1 8.299 0.000 . 1 . . . . . 296 ALA H . 50769 1 174 . 1 . 1 170 170 ALA N N 15 124.734 0.000 . 1 . . . . . 296 ALA N . 50769 1 175 . 1 . 1 171 171 VAL H H 1 7.864 0.002 . 1 . . . . . 297 VAL H . 50769 1 176 . 1 . 1 171 171 VAL N N 15 119.698 0.000 . 1 . . . . . 297 VAL N . 50769 1 177 . 1 . 1 173 173 HIS H H 1 8.508 0.009 . 1 . . . . . 299 HIS H . 50769 1 178 . 1 . 1 173 173 HIS N N 15 125.157 0.035 . 1 . . . . . 299 HIS N . 50769 1 179 . 1 . 1 174 174 GLN H H 1 8.342 0.000 . 1 . . . . . 300 GLN H . 50769 1 180 . 1 . 1 174 174 GLN N N 15 119.729 0.007 . 1 . . . . . 300 GLN N . 50769 1 181 . 1 . 1 176 176 ASP H H 1 8.301 0.001 . 1 . . . . . 302 ASP H . 50769 1 182 . 1 . 1 176 176 ASP N N 15 121.023 0.008 . 1 . . . . . 302 ASP N . 50769 1 183 . 1 . 1 177 177 ASN H H 1 8.332 0.001 . 1 . . . . . 303 ASN H . 50769 1 184 . 1 . 1 177 177 ASN N N 15 118.668 0.004 . 1 . . . . . 303 ASN N . 50769 1 185 . 1 . 1 178 178 ILE H H 1 8.331 0.002 . 1 . . . . . 304 ILE H . 50769 1 186 . 1 . 1 178 178 ILE N N 15 123.570 0.010 . 1 . . . . . 304 ILE N . 50769 1 187 . 1 . 1 179 179 ALA H H 1 7.794 0.001 . 1 . . . . . 305 ALA H . 50769 1 188 . 1 . 1 179 179 ALA N N 15 120.665 0.008 . 1 . . . . . 305 ALA N . 50769 1 189 . 1 . 1 180 180 ARG H H 1 7.464 0.004 . 1 . . . . . 306 ARG H . 50769 1 190 . 1 . 1 180 180 ARG N N 15 115.269 0.008 . 1 . . . . . 306 ARG N . 50769 1 191 . 1 . 1 181 181 GLY H H 1 7.888 0.001 . 1 . . . . . 307 GLY H . 50769 1 192 . 1 . 1 181 181 GLY N N 15 108.612 0.001 . 1 . . . . . 307 GLY N . 50769 1 193 . 1 . 1 182 182 CYS H H 1 8.364 0.000 . 1 . . . . . 308 CYS H . 50769 1 194 . 1 . 1 182 182 CYS N N 15 116.783 0.000 . 1 . . . . . 308 CYS N . 50769 1 195 . 1 . 1 183 183 HIS H H 1 9.114 0.002 . 1 . . . . . 309 HIS H . 50769 1 196 . 1 . 1 183 183 HIS N N 15 122.417 0.009 . 1 . . . . . 309 HIS N . 50769 1 197 . 1 . 1 188 188 THR H H 1 7.521 0.002 . 1 . . . . . 314 THR H . 50769 1 198 . 1 . 1 188 188 THR N N 15 108.194 0.005 . 1 . . . . . 314 THR N . 50769 1 199 . 1 . 1 191 191 ARG H H 1 6.904 0.002 . 1 . . . . . 317 ARG H . 50769 1 200 . 1 . 1 191 191 ARG N N 15 119.976 0.019 . 1 . . . . . 317 ARG N . 50769 1 201 . 1 . 1 192 192 LEU H H 1 8.037 0.000 . 1 . . . . . 318 LEU H . 50769 1 202 . 1 . 1 192 192 LEU N N 15 119.277 0.010 . 1 . . . . . 318 LEU N . 50769 1 203 . 1 . 1 193 193 HIS H H 1 8.255 0.002 . 1 . . . . . 319 HIS H . 50769 1 204 . 1 . 1 193 193 HIS N N 15 117.210 0.006 . 1 . . . . . 319 HIS N . 50769 1 205 . 1 . 1 194 194 ASP H H 1 7.481 0.001 . 1 . . . . . 320 ASP H . 50769 1 206 . 1 . 1 194 194 ASP N N 15 117.954 0.020 . 1 . . . . . 320 ASP N . 50769 1 207 . 1 . 1 195 195 PHE H H 1 8.149 0.000 . 1 . . . . . 321 PHE H . 50769 1 208 . 1 . 1 195 195 PHE N N 15 116.025 0.012 . 1 . . . . . 321 PHE N . 50769 1 209 . 1 . 1 197 197 GLU H H 1 8.681 0.001 . 1 . . . . . 323 GLU H . 50769 1 210 . 1 . 1 197 197 GLU N N 15 122.336 0.007 . 1 . . . . . 323 GLU N . 50769 1 211 . 1 . 1 198 198 ARG H H 1 7.673 0.000 . 1 . . . . . 324 ARG H . 50769 1 212 . 1 . 1 198 198 ARG N N 15 114.209 0.013 . 1 . . . . . 324 ARG N . 50769 1 213 . 1 . 1 199 199 ASN H H 1 8.066 0.000 . 1 . . . . . 325 ASN H . 50769 1 214 . 1 . 1 199 199 ASN N N 15 115.427 0.010 . 1 . . . . . 325 ASN N . 50769 1 215 . 1 . 1 200 200 ARG H H 1 8.801 0.001 . 1 . . . . . 326 ARG H . 50769 1 216 . 1 . 1 200 200 ARG N N 15 112.216 0.018 . 1 . . . . . 326 ARG N . 50769 1 217 . 1 . 1 201 201 VAL H H 1 6.872 0.001 . 1 . . . . . 327 VAL H . 50769 1 218 . 1 . 1 201 201 VAL N N 15 116.919 0.005 . 1 . . . . . 327 VAL N . 50769 1 219 . 1 . 1 202 202 SER H H 1 8.308 0.001 . 1 . . . . . 328 SER H . 50769 1 220 . 1 . 1 202 202 SER N N 15 118.438 0.003 . 1 . . . . . 328 SER N . 50769 1 221 . 1 . 1 203 203 PHE H H 1 8.179 0.000 . 1 . . . . . 329 PHE H . 50769 1 222 . 1 . 1 203 203 PHE N N 15 118.361 0.037 . 1 . . . . . 329 PHE N . 50769 1 223 . 1 . 1 204 204 GLY H H 1 8.234 0.006 . 1 . . . . . 330 GLY H . 50769 1 224 . 1 . 1 204 204 GLY N N 15 104.904 0.012 . 1 . . . . . 330 GLY N . 50769 1 225 . 1 . 1 205 205 SER H H 1 8.983 0.000 . 1 . . . . . 331 SER H . 50769 1 226 . 1 . 1 205 205 SER N N 15 113.986 0.013 . 1 . . . . . 331 SER N . 50769 1 227 . 1 . 1 206 206 VAL H H 1 7.383 0.000 . 1 . . . . . 332 VAL H . 50769 1 228 . 1 . 1 206 206 VAL N N 15 122.615 0.009 . 1 . . . . . 332 VAL N . 50769 1 229 . 1 . 1 207 207 ARG H H 1 9.850 0.001 . 1 . . . . . 333 ARG H . 50769 1 230 . 1 . 1 207 207 ARG N N 15 124.533 0.005 . 1 . . . . . 333 ARG N . 50769 1 231 . 1 . 1 213 213 GLU H H 1 7.567 0.001 . 1 . . . . . 339 GLU H . 50769 1 232 . 1 . 1 213 213 GLU N N 15 118.013 0.015 . 1 . . . . . 339 GLU N . 50769 1 233 . 1 . 1 214 214 ALA H H 1 9.303 0.000 . 1 . . . . . 340 ALA H . 50769 1 234 . 1 . 1 214 214 ALA N N 15 119.439 0.018 . 1 . . . . . 340 ALA N . 50769 1 235 . 1 . 1 215 215 ASP H H 1 9.097 0.002 . 1 . . . . . 341 ASP H . 50769 1 236 . 1 . 1 215 215 ASP N N 15 113.580 0.012 . 1 . . . . . 341 ASP N . 50769 1 237 . 1 . 1 216 216 ARG H H 1 7.967 0.000 . 1 . . . . . 342 ARG H . 50769 1 238 . 1 . 1 216 216 ARG N N 15 124.266 0.006 . 1 . . . . . 342 ARG N . 50769 1 239 . 1 . 1 217 217 MET H H 1 8.659 0.000 . 1 . . . . . 343 MET H . 50769 1 240 . 1 . 1 217 217 MET N N 15 116.073 0.016 . 1 . . . . . 343 MET N . 50769 1 241 . 1 . 1 218 218 LEU H H 1 8.216 0.001 . 1 . . . . . 344 LEU H . 50769 1 242 . 1 . 1 218 218 LEU N N 15 119.378 0.013 . 1 . . . . . 344 LEU N . 50769 1 243 . 1 . 1 219 219 ASP H H 1 8.327 0.002 . 1 . . . . . 345 ASP H . 50769 1 244 . 1 . 1 219 219 ASP N N 15 123.001 0.007 . 1 . . . . . 345 ASP N . 50769 1 245 . 1 . 1 221 221 GLY H H 1 7.604 0.001 . 1 . . . . . 347 GLY H . 50769 1 246 . 1 . 1 221 221 GLY N N 15 105.034 0.014 . 1 . . . . . 347 GLY N . 50769 1 247 . 1 . 1 222 222 PHE H H 1 7.924 0.000 . 1 . . . . . 348 PHE H . 50769 1 248 . 1 . 1 222 222 PHE N N 15 115.022 0.008 . 1 . . . . . 348 PHE N . 50769 1 249 . 1 . 1 223 223 MET H H 1 9.185 0.002 . 1 . . . . . 349 MET H . 50769 1 250 . 1 . 1 223 223 MET N N 15 121.859 0.009 . 1 . . . . . 349 MET N . 50769 1 251 . 1 . 1 225 225 SER H H 1 7.692 0.002 . 1 . . . . . 351 SER H . 50769 1 252 . 1 . 1 225 225 SER N N 15 113.466 0.004 . 1 . . . . . 351 SER N . 50769 1 253 . 1 . 1 226 226 ILE H H 1 7.834 0.001 . 1 . . . . . 352 ILE H . 50769 1 254 . 1 . 1 226 226 ILE N N 15 122.851 0.007 . 1 . . . . . 352 ILE N . 50769 1 255 . 1 . 1 227 227 GLU H H 1 8.926 0.002 . 1 . . . . . 353 GLU H . 50769 1 256 . 1 . 1 227 227 GLU N N 15 120.208 0.009 . 1 . . . . . 353 GLU N . 50769 1 257 . 1 . 1 228 228 LYS H H 1 7.612 0.004 . 1 . . . . . 354 LYS H . 50769 1 258 . 1 . 1 228 228 LYS N N 15 116.490 0.009 . 1 . . . . . 354 LYS N . 50769 1 259 . 1 . 1 229 229 MET H H 1 7.208 0.002 . 1 . . . . . 355 MET H . 50769 1 260 . 1 . 1 229 229 MET N N 15 116.390 0.015 . 1 . . . . . 355 MET N . 50769 1 261 . 1 . 1 230 230 MET H H 1 8.009 0.001 . 1 . . . . . 356 MET H . 50769 1 262 . 1 . 1 230 230 MET N N 15 113.568 0.010 . 1 . . . . . 356 MET N . 50769 1 263 . 1 . 1 231 231 LEU H H 1 7.814 0.002 . 1 . . . . . 357 LEU H . 50769 1 264 . 1 . 1 231 231 LEU N N 15 115.975 0.016 . 1 . . . . . 357 LEU N . 50769 1 265 . 1 . 1 232 232 HIS H H 1 7.427 0.000 . 1 . . . . . 358 HIS H . 50769 1 266 . 1 . 1 232 232 HIS N N 15 125.136 0.008 . 1 . . . . . 358 HIS N . 50769 1 267 . 1 . 1 234 234 THR H H 1 8.828 0.001 . 1 . . . . . 360 THR H . 50769 1 268 . 1 . 1 234 234 THR N N 15 107.412 0.014 . 1 . . . . . 360 THR N . 50769 1 269 . 1 . 1 235 235 MET H H 1 8.099 0.001 . 1 . . . . . 361 MET H . 50769 1 270 . 1 . 1 235 235 MET N N 15 121.368 0.013 . 1 . . . . . 361 MET N . 50769 1 271 . 1 . 1 236 236 VAL H H 1 6.610 0.000 . 1 . . . . . 362 VAL H . 50769 1 272 . 1 . 1 236 236 VAL N N 15 126.824 0.001 . 1 . . . . . 362 VAL N . 50769 1 273 . 1 . 1 237 237 GLU H H 1 8.624 0.001 . 1 . . . . . 363 GLU H . 50769 1 274 . 1 . 1 237 237 GLU N N 15 123.232 0.003 . 1 . . . . . 363 GLU N . 50769 1 275 . 1 . 1 238 238 THR H H 1 8.368 0.002 . 1 . . . . . 364 THR H . 50769 1 276 . 1 . 1 238 238 THR N N 15 115.492 0.003 . 1 . . . . . 364 THR N . 50769 1 277 . 1 . 1 239 239 THR H H 1 7.443 0.002 . 1 . . . . . 365 THR H . 50769 1 278 . 1 . 1 239 239 THR N N 15 106.924 0.007 . 1 . . . . . 365 THR N . 50769 1 279 . 1 . 1 240 240 LYS H H 1 7.995 0.000 . 1 . . . . . 366 LYS H . 50769 1 280 . 1 . 1 240 240 LYS N N 15 120.116 0.014 . 1 . . . . . 366 LYS N . 50769 1 281 . 1 . 1 241 241 ARG H H 1 7.456 0.001 . 1 . . . . . 367 ARG H . 50769 1 282 . 1 . 1 241 241 ARG N N 15 116.971 0.010 . 1 . . . . . 367 ARG N . 50769 1 283 . 1 . 1 243 243 THR H H 1 8.944 0.001 . 1 . . . . . 369 THR H . 50769 1 284 . 1 . 1 243 243 THR N N 15 122.095 0.017 . 1 . . . . . 369 THR N . 50769 1 285 . 1 . 1 244 244 LEU H H 1 9.086 0.000 . 1 . . . . . 370 LEU H . 50769 1 286 . 1 . 1 244 244 LEU N N 15 123.925 0.010 . 1 . . . . . 370 LEU N . 50769 1 287 . 1 . 1 245 245 MET H H 1 8.895 0.000 . 1 . . . . . 371 MET H . 50769 1 288 . 1 . 1 245 245 MET N N 15 121.958 0.012 . 1 . . . . . 371 MET N . 50769 1 289 . 1 . 1 246 246 PHE H H 1 8.792 0.001 . 1 . . . . . 372 PHE H . 50769 1 290 . 1 . 1 246 246 PHE N N 15 120.134 0.010 . 1 . . . . . 372 PHE N . 50769 1 291 . 1 . 1 247 247 SER H H 1 8.802 0.002 . 1 . . . . . 373 SER H . 50769 1 292 . 1 . 1 247 247 SER N N 15 115.041 0.016 . 1 . . . . . 373 SER N . 50769 1 293 . 1 . 1 248 248 ALA H H 1 8.872 0.000 . 1 . . . . . 374 ALA H . 50769 1 294 . 1 . 1 248 248 ALA N N 15 127.608 0.005 . 1 . . . . . 374 ALA N . 50769 1 295 . 1 . 1 249 249 THR H H 1 7.655 0.000 . 1 . . . . . 375 THR H . 50769 1 296 . 1 . 1 249 249 THR N N 15 105.131 0.014 . 1 . . . . . 375 THR N . 50769 1 297 . 1 . 1 253 253 ASP H H 1 8.835 0.001 . 1 . . . . . 379 ASP H . 50769 1 298 . 1 . 1 253 253 ASP N N 15 114.624 0.004 . 1 . . . . . 379 ASP N . 50769 1 299 . 1 . 1 254 254 ILE H H 1 7.084 0.001 . 1 . . . . . 380 ILE H . 50769 1 300 . 1 . 1 254 254 ILE N N 15 119.134 0.000 . 1 . . . . . 380 ILE N . 50769 1 301 . 1 . 1 255 255 GLN H H 1 7.556 0.001 . 1 . . . . . 381 GLN H . 50769 1 302 . 1 . 1 255 255 GLN N N 15 121.829 0.000 . 1 . . . . . 381 GLN N . 50769 1 303 . 1 . 1 256 256 HIS H H 1 8.397 0.000 . 1 . . . . . 382 HIS H . 50769 1 304 . 1 . 1 256 256 HIS N N 15 116.998 0.000 . 1 . . . . . 382 HIS N . 50769 1 305 . 1 . 1 257 257 LEU H H 1 7.337 0.001 . 1 . . . . . 383 LEU H . 50769 1 306 . 1 . 1 257 257 LEU N N 15 120.799 0.008 . 1 . . . . . 383 LEU N . 50769 1 307 . 1 . 1 258 258 ALA H H 1 8.599 0.001 . 1 . . . . . 384 ALA H . 50769 1 308 . 1 . 1 258 258 ALA N N 15 121.573 0.010 . 1 . . . . . 384 ALA N . 50769 1 309 . 1 . 1 259 259 GLY H H 1 7.683 0.000 . 1 . . . . . 385 GLY H . 50769 1 310 . 1 . 1 259 259 GLY N N 15 101.452 0.003 . 1 . . . . . 385 GLY N . 50769 1 311 . 1 . 1 260 260 ARG H H 1 7.339 0.001 . 1 . . . . . 386 ARG H . 50769 1 312 . 1 . 1 260 260 ARG N N 15 117.925 0.012 . 1 . . . . . 386 ARG N . 50769 1 313 . 1 . 1 261 261 PHE H H 1 7.766 0.001 . 1 . . . . . 387 PHE H . 50769 1 314 . 1 . 1 261 261 PHE N N 15 114.488 0.007 . 1 . . . . . 387 PHE N . 50769 1 315 . 1 . 1 263 263 ASN H H 1 10.673 0.001 . 1 . . . . . 389 ASN H . 50769 1 316 . 1 . 1 263 263 ASN N N 15 121.922 0.004 . 1 . . . . . 389 ASN N . 50769 1 317 . 1 . 1 265 265 TYR H H 1 7.261 0.002 . 1 . . . . . 391 TYR H . 50769 1 318 . 1 . 1 265 265 TYR N N 15 113.453 0.009 . 1 . . . . . 391 TYR N . 50769 1 319 . 1 . 1 266 266 LEU H H 1 8.228 0.000 . 1 . . . . . 392 LEU H . 50769 1 320 . 1 . 1 266 266 LEU N N 15 121.115 0.007 . 1 . . . . . 392 LEU N . 50769 1 321 . 1 . 1 267 267 PHE H H 1 9.061 0.001 . 1 . . . . . 393 PHE H . 50769 1 322 . 1 . 1 267 267 PHE N N 15 125.746 0.009 . 1 . . . . . 393 PHE N . 50769 1 323 . 1 . 1 268 268 VAL H H 1 8.300 0.000 . 1 . . . . . 394 VAL H . 50769 1 324 . 1 . 1 268 268 VAL N N 15 125.572 0.009 . 1 . . . . . 394 VAL N . 50769 1 325 . 1 . 1 269 269 ALA H H 1 8.868 0.002 . 1 . . . . . 395 ALA H . 50769 1 326 . 1 . 1 269 269 ALA N N 15 127.360 0.001 . 1 . . . . . 395 ALA N . 50769 1 327 . 1 . 1 270 270 VAL H H 1 8.297 0.002 . 1 . . . . . 396 VAL H . 50769 1 328 . 1 . 1 270 270 VAL N N 15 120.557 0.009 . 1 . . . . . 396 VAL N . 50769 1 stop_ save_