################################### # 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 50618 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Nucleocapsid protein of SARS-CoV-2 176-248 (SR-domain)' _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 BEST TROSY' . . . 50618 1 2 '2D 13C-15N CON' . . . 50618 1 3 '3D 1H BT-HN(CO)CACB' . . . 50618 1 4 '3D 1H BT-HNCACB' . . . 50618 1 5 '3D 1H HNCO' . . . 50618 1 6 '3D 1H HN(CA)CO' . . . 50618 1 7 '3D 13C (H)CBCACON' . . . 50618 1 8 '3D 13C (H)CBCANCO' . . . 50618 1 9 '2D 13C (H)CACO' . . . 50618 1 10 '2D 13C (H)CBCACO' . . . 50618 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 . . 50618 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 . 1 176 176 SER C C 13 174.779 0.00 . 1 . . . . . 176 SER C . 50618 1 2 . 1 . 1 176 176 SER CA C 13 58.427 0.00 . 1 . . . . . 176 SER CA . 50618 1 3 . 1 . 1 176 176 SER CB C 13 63.867 0.00 . 1 . . . . . 176 SER CB . 50618 1 4 . 1 . 1 177 177 ARG H H 1 8.475 0.00 . 1 . . . . . 177 ARG HN . 50618 1 5 . 1 . 1 177 177 ARG C C 13 176.867 0.00 . 1 . . . . . 177 ARG C . 50618 1 6 . 1 . 1 177 177 ARG CA C 13 56.337 0.00 . 1 . . . . . 177 ARG CA . 50618 1 7 . 1 . 1 177 177 ARG CB C 13 30.491 0.00 . 1 . . . . . 177 ARG CB . 50618 1 8 . 1 . 1 177 177 ARG N N 15 122.515 0.00 . 1 . . . . . 177 ARG N . 50618 1 9 . 1 . 1 178 178 GLY H H 1 8.412 0.00 . 1 . . . . . 178 GLY HN . 50618 1 10 . 1 . 1 178 178 GLY C C 13 174.733 0.00 . 1 . . . . . 178 GLY C . 50618 1 11 . 1 . 1 178 178 GLY CA C 13 45.295 0.00 . 1 . . . . . 178 GLY CA . 50618 1 12 . 1 . 1 178 178 GLY N N 15 109.729 0.00 . 1 . . . . . 178 GLY N . 50618 1 13 . 1 . 1 179 179 GLY H H 1 8.292 0.00 . 1 . . . . . 179 GLY HN . 50618 1 14 . 1 . 1 179 179 GLY C C 13 174.459 0.00 . 1 . . . . . 179 GLY C . 50618 1 15 . 1 . 1 179 179 GLY CA C 13 45.290 0.00 . 1 . . . . . 179 GLY CA . 50618 1 16 . 1 . 1 179 179 GLY N N 15 108.883 0.00 . 1 . . . . . 179 GLY N . 50618 1 17 . 1 . 1 180 180 SER H H 1 8.143 0.00 . 1 . . . . . 180 SER HN . 50618 1 18 . 1 . 1 180 180 SER C C 13 174.908 0.00 . 1 . . . . . 180 SER C . 50618 1 19 . 1 . 1 180 180 SER CA C 13 58.372 0.00 . 1 . . . . . 180 SER CA . 50618 1 20 . 1 . 1 180 180 SER CB C 13 63.854 0.00 . 1 . . . . . 180 SER CB . 50618 1 21 . 1 . 1 180 180 SER N N 15 115.326 0.00 . 1 . . . . . 180 SER N . 50618 1 22 . 1 . 1 181 181 GLN H H 1 8.496 0.00 . 1 . . . . . 181 GLN HN . 50618 1 23 . 1 . 1 181 181 GLN C C 13 176.079 0.00 . 1 . . . . . 181 GLN C . 50618 1 24 . 1 . 1 181 181 GLN CA C 13 55.866 0.00 . 1 . . . . . 181 GLN CA . 50618 1 25 . 1 . 1 181 181 GLN CB C 13 29.084 0.00 . 1 . . . . . 181 GLN CB . 50618 1 26 . 1 . 1 181 181 GLN N N 15 122.090 0.00 . 1 . . . . . 181 GLN N . 50618 1 27 . 1 . 1 182 182 ALA H H 1 8.288 0.00 . 1 . . . . . 182 ALA HN . 50618 1 28 . 1 . 1 182 182 ALA C C 13 178.087 0.00 . 1 . . . . . 182 ALA C . 50618 1 29 . 1 . 1 182 182 ALA CA C 13 52.878 0.00 . 1 . . . . . 182 ALA CA . 50618 1 30 . 1 . 1 182 182 ALA CB C 13 19.053 0.00 . 1 . . . . . 182 ALA CB . 50618 1 31 . 1 . 1 182 182 ALA N N 15 124.751 0.00 . 1 . . . . . 182 ALA N . 50618 1 32 . 1 . 1 183 183 SER H H 1 8.263 0.00 . 1 . . . . . 183 SER HN . 50618 1 33 . 1 . 1 183 183 SER C C 13 174.830 0.00 . 1 . . . . . 183 SER C . 50618 1 34 . 1 . 1 183 183 SER CA C 13 58.476 0.00 . 1 . . . . . 183 SER CA . 50618 1 35 . 1 . 1 183 183 SER CB C 13 63.701 0.00 . 1 . . . . . 183 SER CB . 50618 1 36 . 1 . 1 183 183 SER N N 15 114.651 0.00 . 1 . . . . . 183 SER N . 50618 1 37 . 1 . 1 184 184 SER H H 1 8.291 0.00 . 1 . . . . . 184 SER HN . 50618 1 38 . 1 . 1 184 184 SER C C 13 174.969 0.00 . 1 . . . . . 184 SER C . 50618 1 39 . 1 . 1 184 184 SER CA C 13 58.312 0.00 . 1 . . . . . 184 SER CA . 50618 1 40 . 1 . 1 184 184 SER CB C 13 63.455 0.00 . 1 . . . . . 184 SER CB . 50618 1 41 . 1 . 1 184 184 SER N N 15 117.872 0.00 . 1 . . . . . 184 SER N . 50618 1 42 . 1 . 1 185 185 ARG H H 1 8.428 0.00 . 1 . . . . . 185 ARG HN . 50618 1 43 . 1 . 1 185 185 ARG C C 13 176.605 0.00 . 1 . . . . . 185 ARG C . 50618 1 44 . 1 . 1 185 185 ARG CA C 13 56.002 0.00 . 1 . . . . . 185 ARG CA . 50618 1 45 . 1 . 1 185 185 ARG CB C 13 30.352 0.00 . 1 . . . . . 185 ARG CB . 50618 1 46 . 1 . 1 185 185 ARG N N 15 122.027 0.00 . 1 . . . . . 185 ARG N . 50618 1 47 . 1 . 1 186 186 SER H H 1 8.214 0.00 . 1 . . . . . 186 SER HN . 50618 1 48 . 1 . 1 186 186 SER C C 13 174.913 0.00 . 1 . . . . . 186 SER C . 50618 1 49 . 1 . 1 186 186 SER CA C 13 58.414 0.00 . 1 . . . . . 186 SER CA . 50618 1 50 . 1 . 1 186 186 SER CB C 13 63.763 0.00 . 1 . . . . . 186 SER CB . 50618 1 51 . 1 . 1 186 186 SER N N 15 116.552 0.00 . 1 . . . . . 186 SER N . 50618 1 52 . 1 . 1 187 187 SER H H 1 8.355 0.00 . 1 . . . . . 187 SER HN . 50618 1 53 . 1 . 1 187 187 SER C C 13 174.797 0.00 . 1 . . . . . 187 SER C . 50618 1 54 . 1 . 1 187 187 SER CA C 13 59.179 0.00 . 1 . . . . . 187 SER CA . 50618 1 55 . 1 . 1 187 187 SER CB C 13 63.698 0.00 . 1 . . . . . 187 SER CB . 50618 1 56 . 1 . 1 187 187 SER N N 15 117.593 0.00 . 1 . . . . . 187 SER N . 50618 1 57 . 1 . 1 188 188 SER H H 1 8.152 0.00 . 1 . . . . . 188 SER HN . 50618 1 58 . 1 . 1 188 188 SER C C 13 174.799 0.00 . 1 . . . . . 188 SER C . 50618 1 59 . 1 . 1 188 188 SER CA C 13 58.622 0.00 . 1 . . . . . 188 SER CA . 50618 1 60 . 1 . 1 188 188 SER CB C 13 63.618 0.00 . 1 . . . . . 188 SER CB . 50618 1 61 . 1 . 1 188 188 SER N N 15 117.832 0.00 . 1 . . . . . 188 SER N . 50618 1 62 . 1 . 1 189 189 ARG H H 1 8.280 0.00 . 1 . . . . . 189 ARG HN . 50618 1 63 . 1 . 1 189 189 ARG C C 13 176.574 0.00 . 1 . . . . . 189 ARG C . 50618 1 64 . 1 . 1 189 189 ARG CA C 13 56.267 0.00 . 1 . . . . . 189 ARG CA . 50618 1 65 . 1 . 1 189 189 ARG CB C 13 30.410 0.00 . 1 . . . . . 189 ARG CB . 50618 1 66 . 1 . 1 189 189 ARG N N 15 122.594 0.00 . 1 . . . . . 189 ARG N . 50618 1 67 . 1 . 1 190 190 SER H H 1 8.331 0.00 . 1 . . . . . 190 SER HN . 50618 1 68 . 1 . 1 190 190 SER C C 13 174.728 0.00 . 1 . . . . . 190 SER C . 50618 1 69 . 1 . 1 190 190 SER CA C 13 58.397 0.00 . 1 . . . . . 190 SER CA . 50618 1 70 . 1 . 1 190 190 SER CB C 13 63.696 0.00 . 1 . . . . . 190 SER CB . 50618 1 71 . 1 . 1 190 190 SER N N 15 116.577 0.00 . 1 . . . . . 190 SER N . 50618 1 72 . 1 . 1 191 191 ARG H H 1 8.284 0.00 . 1 . . . . . 191 ARG HN . 50618 1 73 . 1 . 1 191 191 ARG C C 13 176.200 0.00 . 1 . . . . . 191 ARG C . 50618 1 74 . 1 . 1 191 191 ARG CA C 13 56.388 0.00 . 1 . . . . . 191 ARG CA . 50618 1 75 . 1 . 1 191 191 ARG CB C 13 30.552 0.00 . 1 . . . . . 191 ARG CB . 50618 1 76 . 1 . 1 191 191 ARG N N 15 122.719 0.00 . 1 . . . . . 191 ARG N . 50618 1 77 . 1 . 1 192 192 ASN H H 1 8.398 0.00 . 1 . . . . . 192 ASN HN . 50618 1 78 . 1 . 1 192 192 ASN C C 13 175.277 0.00 . 1 . . . . . 192 ASN C . 50618 1 79 . 1 . 1 192 192 ASN CA C 13 53.221 0.00 . 1 . . . . . 192 ASN CA . 50618 1 80 . 1 . 1 192 192 ASN CB C 13 38.832 0.00 . 1 . . . . . 192 ASN CB . 50618 1 81 . 1 . 1 192 192 ASN N N 15 119.425 0.00 . 1 . . . . . 192 ASN N . 50618 1 82 . 1 . 1 193 193 SER H H 1 8.248 0.00 . 1 . . . . . 193 SER HN . 50618 1 83 . 1 . 1 193 193 SER C C 13 174.877 0.00 . 1 . . . . . 193 SER C . 50618 1 84 . 1 . 1 193 193 SER CA C 13 58.401 0.00 . 1 . . . . . 193 SER CA . 50618 1 85 . 1 . 1 193 193 SER CB C 13 63.573 0.00 . 1 . . . . . 193 SER CB . 50618 1 86 . 1 . 1 193 193 SER N N 15 116.290 0.00 . 1 . . . . . 193 SER N . 50618 1 87 . 1 . 1 194 194 SER H H 1 8.323 0.00 . 1 . . . . . 194 SER HN . 50618 1 88 . 1 . 1 194 194 SER C C 13 174.718 0.00 . 1 . . . . . 194 SER C . 50618 1 89 . 1 . 1 194 194 SER CA C 13 58.448 0.00 . 1 . . . . . 194 SER CA . 50618 1 90 . 1 . 1 194 194 SER CB C 13 63.603 0.00 . 1 . . . . . 194 SER CB . 50618 1 91 . 1 . 1 194 194 SER N N 15 117.753 0.00 . 1 . . . . . 194 SER N . 50618 1 92 . 1 . 1 195 195 ARG H H 1 8.290 0.00 . 1 . . . . . 195 ARG HN . 50618 1 93 . 1 . 1 195 195 ARG C C 13 176.150 0.00 . 1 . . . . . 195 ARG C . 50618 1 94 . 1 . 1 195 195 ARG CA C 13 56.352 0.00 . 1 . . . . . 195 ARG CA . 50618 1 95 . 1 . 1 195 195 ARG CB C 13 30.461 0.00 . 1 . . . . . 195 ARG CB . 50618 1 96 . 1 . 1 195 195 ARG N N 15 122.438 0.00 . 1 . . . . . 195 ARG N . 50618 1 97 . 1 . 1 196 196 ASN H H 1 8.402 0.00 . 1 . . . . . 196 ASN HN . 50618 1 98 . 1 . 1 196 196 ASN C C 13 175.138 0.00 . 1 . . . . . 196 ASN C . 50618 1 99 . 1 . 1 196 196 ASN CA C 13 53.050 0.00 . 1 . . . . . 196 ASN CA . 50618 1 100 . 1 . 1 196 196 ASN CB C 13 39.006 0.00 . 1 . . . . . 196 ASN CB . 50618 1 101 . 1 . 1 196 196 ASN N N 15 119.292 0.00 . 1 . . . . . 196 ASN N . 50618 1 102 . 1 . 1 197 197 SER H H 1 8.233 0.00 . 1 . . . . . 197 SER HN . 50618 1 103 . 1 . 1 197 197 SER C C 13 174.305 0.00 . 1 . . . . . 197 SER C . 50618 1 104 . 1 . 1 197 197 SER CA C 13 58.266 0.00 . 1 . . . . . 197 SER CA . 50618 1 105 . 1 . 1 197 197 SER CB C 13 63.890 0.00 . 1 . . . . . 197 SER CB . 50618 1 106 . 1 . 1 197 197 SER N N 15 116.083 0.00 . 1 . . . . . 197 SER N . 50618 1 107 . 1 . 1 198 198 THR H H 1 8.241 0.00 . 1 . . . . . 198 THR HN . 50618 1 108 . 1 . 1 198 198 THR C C 13 173.046 0.00 . 1 . . . . . 198 THR C . 50618 1 109 . 1 . 1 198 198 THR CA C 13 59.868 0.00 . 1 . . . . . 198 THR CA . 50618 1 110 . 1 . 1 198 198 THR CB C 13 69.588 0.00 . 1 . . . . . 198 THR CB . 50618 1 111 . 1 . 1 198 198 THR N N 15 117.691 0.00 . 1 . . . . . 198 THR N . 50618 1 112 . 1 . 1 199 199 PRO C C 13 177.671 0.00 . 1 . . . . . 199 PRO C . 50618 1 113 . 1 . 1 199 199 PRO CA C 13 63.769 0.00 . 1 . . . . . 199 PRO CA . 50618 1 114 . 1 . 1 199 199 PRO CB C 13 31.905 0.00 . 1 . . . . . 199 PRO CB . 50618 1 115 . 1 . 1 199 199 PRO N N 15 139.317 0.00 . 1 . . . . . 199 PRO N . 50618 1 116 . 1 . 1 200 200 GLY H H 1 8.531 0.00 . 1 . . . . . 200 GLY HN . 50618 1 117 . 1 . 1 200 200 GLY C C 13 174.507 0.00 . 1 . . . . . 200 GLY C . 50618 1 118 . 1 . 1 200 200 GLY CA C 13 45.398 0.00 . 1 . . . . . 200 GLY CA . 50618 1 119 . 1 . 1 200 200 GLY N N 15 109.492 0.00 . 1 . . . . . 200 GLY N . 50618 1 120 . 1 . 1 201 201 SER H H 1 8.180 0.00 . 1 . . . . . 201 SER HN . 50618 1 121 . 1 . 1 201 201 SER C C 13 174.890 0.00 . 1 . . . . . 201 SER C . 50618 1 122 . 1 . 1 201 201 SER CA C 13 58.327 0.00 . 1 . . . . . 201 SER CA . 50618 1 123 . 1 . 1 201 201 SER CB C 13 63.938 0.00 . 1 . . . . . 201 SER CB . 50618 1 124 . 1 . 1 201 201 SER N N 15 115.777 0.00 . 1 . . . . . 201 SER N . 50618 1 125 . 1 . 1 202 202 SER H H 1 8.271 0.00 . 1 . . . . . 202 SER HN . 50618 1 126 . 1 . 1 202 202 SER C C 13 174.732 0.00 . 1 . . . . . 202 SER C . 50618 1 127 . 1 . 1 202 202 SER CA C 13 58.560 0.00 . 1 . . . . . 202 SER CA . 50618 1 128 . 1 . 1 202 202 SER CB C 13 63.633 0.00 . 1 . . . . . 202 SER CB . 50618 1 129 . 1 . 1 202 202 SER N N 15 117.853 0.00 . 1 . . . . . 202 SER N . 50618 1 130 . 1 . 1 203 203 ARG H H 1 8.370 0.00 . 1 . . . . . 203 ARG HN . 50618 1 131 . 1 . 1 203 203 ARG C C 13 176.886 0.00 . 1 . . . . . 203 ARG C . 50618 1 132 . 1 . 1 203 203 ARG CA C 13 56.216 0.00 . 1 . . . . . 203 ARG CA . 50618 1 133 . 1 . 1 203 203 ARG CB C 13 30.321 0.00 . 1 . . . . . 203 ARG CB . 50618 1 134 . 1 . 1 203 203 ARG N N 15 122.593 0.00 . 1 . . . . . 203 ARG N . 50618 1 135 . 1 . 1 204 204 GLY H H 1 8.430 0.00 . 1 . . . . . 204 GLY HN . 50618 1 136 . 1 . 1 204 204 GLY C C 13 174.263 0.00 . 1 . . . . . 204 GLY C . 50618 1 137 . 1 . 1 204 204 GLY CA C 13 45.250 0.00 . 1 . . . . . 204 GLY CA . 50618 1 138 . 1 . 1 204 204 GLY N N 15 109.655 0.00 . 1 . . . . . 204 GLY N . 50618 1 139 . 1 . 1 205 205 THR H H 1 8.057 0.00 . 1 . . . . . 205 THR HN . 50618 1 140 . 1 . 1 205 205 THR C C 13 174.514 0.00 . 1 . . . . . 205 THR C . 50618 1 141 . 1 . 1 205 205 THR CA C 13 61.546 0.00 . 1 . . . . . 205 THR CA . 50618 1 142 . 1 . 1 205 205 THR CB C 13 69.869 0.00 . 1 . . . . . 205 THR CB . 50618 1 143 . 1 . 1 205 205 THR N N 15 113.210 0.00 . 1 . . . . . 205 THR N . 50618 1 144 . 1 . 1 206 206 SER H H 1 8.365 0.00 . 1 . . . . . 206 SER HN . 50618 1 145 . 1 . 1 206 206 SER C C 13 172.786 0.00 . 1 . . . . . 206 SER C . 50618 1 146 . 1 . 1 206 206 SER CA C 13 56.555 0.00 . 1 . . . . . 206 SER CA . 50618 1 147 . 1 . 1 206 206 SER CB C 13 63.318 0.00 . 1 . . . . . 206 SER CB . 50618 1 148 . 1 . 1 206 206 SER N N 15 119.501 0.00 . 1 . . . . . 206 SER N . 50618 1 149 . 1 . 1 207 207 PRO C C 13 176.834 0.00 . 1 . . . . . 207 PRO C . 50618 1 150 . 1 . 1 207 207 PRO CA C 13 63.245 0.00 . 1 . . . . . 207 PRO CA . 50618 1 151 . 1 . 1 207 207 PRO CB C 13 31.921 0.00 . 1 . . . . . 207 PRO CB . 50618 1 152 . 1 . 1 207 207 PRO N N 15 138.070 0.00 . 1 . . . . . 207 PRO N . 50618 1 153 . 1 . 1 208 208 ALA H H 1 8.297 0.00 . 1 . . . . . 208 ALA HN . 50618 1 154 . 1 . 1 208 208 ALA C C 13 177.941 0.00 . 1 . . . . . 208 ALA C . 50618 1 155 . 1 . 1 208 208 ALA CA C 13 52.723 0.00 . 1 . . . . . 208 ALA CA . 50618 1 156 . 1 . 1 208 208 ALA CB C 13 19.013 0.00 . 1 . . . . . 208 ALA CB . 50618 1 157 . 1 . 1 208 208 ALA N N 15 123.666 0.00 . 1 . . . . . 208 ALA N . 50618 1 158 . 1 . 1 209 209 ARG H H 1 8.209 0.00 . 1 . . . . . 209 ARG HN . 50618 1 159 . 1 . 1 209 209 ARG C C 13 176.413 0.00 . 1 . . . . . 209 ARG C . 50618 1 160 . 1 . 1 209 209 ARG CA C 13 55.950 0.00 . 1 . . . . . 209 ARG CA . 50618 1 161 . 1 . 1 209 209 ARG CB C 13 30.624 0.00 . 1 . . . . . 209 ARG CB . 50618 1 162 . 1 . 1 209 209 ARG N N 15 119.699 0.00 . 1 . . . . . 209 ARG N . 50618 1 163 . 1 . 1 210 210 MET H H 1 8.315 0.00 . 1 . . . . . 210 MET HN . 50618 1 164 . 1 . 1 210 210 MET C C 13 175.960 0.00 . 1 . . . . . 210 MET C . 50618 1 165 . 1 . 1 210 210 MET CA C 13 55.346 0.00 . 1 . . . . . 210 MET CA . 50618 1 166 . 1 . 1 210 210 MET CB C 13 32.882 0.00 . 1 . . . . . 210 MET CB . 50618 1 167 . 1 . 1 210 210 MET N N 15 121.452 0.00 . 1 . . . . . 210 MET N . 50618 1 168 . 1 . 1 211 211 ALA H H 1 8.304 0.00 . 1 . . . . . 211 ALA HN . 50618 1 169 . 1 . 1 211 211 ALA C C 13 178.178 0.00 . 1 . . . . . 211 ALA C . 50618 1 170 . 1 . 1 211 211 ALA CA C 13 52.569 0.00 . 1 . . . . . 211 ALA CA . 50618 1 171 . 1 . 1 211 211 ALA CB C 13 19.122 0.00 . 1 . . . . . 211 ALA CB . 50618 1 172 . 1 . 1 211 211 ALA N N 15 125.003 0.00 . 1 . . . . . 211 ALA N . 50618 1 173 . 1 . 1 212 212 GLY H H 1 8.370 0.00 . 1 . . . . . 212 GLY HN . 50618 1 174 . 1 . 1 212 212 GLY C C 13 174.174 0.00 . 1 . . . . . 212 GLY C . 50618 1 175 . 1 . 1 212 212 GLY CA C 13 45.295 0.00 . 1 . . . . . 212 GLY CA . 50618 1 176 . 1 . 1 212 212 GLY N N 15 108.109 0.00 . 1 . . . . . 212 GLY N . 50618 1 177 . 1 . 1 213 213 ASN H H 1 8.361 0.00 . 1 . . . . . 213 ASN HN . 50618 1 178 . 1 . 1 213 213 ASN C C 13 175.946 0.00 . 1 . . . . . 213 ASN C . 50618 1 179 . 1 . 1 213 213 ASN CA C 13 53.120 0.00 . 1 . . . . . 213 ASN CA . 50618 1 180 . 1 . 1 213 213 ASN CB C 13 38.996 0.00 . 1 . . . . . 213 ASN CB . 50618 1 181 . 1 . 1 213 213 ASN N N 15 118.562 0.00 . 1 . . . . . 213 ASN N . 50618 1 182 . 1 . 1 214 214 GLY H H 1 8.524 0.00 . 1 . . . . . 214 GLY HN . 50618 1 183 . 1 . 1 214 214 GLY C C 13 174.950 0.00 . 1 . . . . . 214 GLY C . 50618 1 184 . 1 . 1 214 214 GLY CA C 13 45.385 0.00 . 1 . . . . . 214 GLY CA . 50618 1 185 . 1 . 1 214 214 GLY N N 15 109.354 0.00 . 1 . . . . . 214 GLY N . 50618 1 186 . 1 . 1 215 215 GLY H H 1 8.309 0.00 . 1 . . . . . 215 GLY HN . 50618 1 187 . 1 . 1 215 215 GLY C C 13 174.313 0.00 . 1 . . . . . 215 GLY C . 50618 1 188 . 1 . 1 215 215 GLY CA C 13 45.271 0.00 . 1 . . . . . 215 GLY CA . 50618 1 189 . 1 . 1 215 215 GLY N N 15 108.902 0.00 . 1 . . . . . 215 GLY N . 50618 1 190 . 1 . 1 216 216 ASP H H 1 8.282 0.00 . 1 . . . . . 216 ASP HN . 50618 1 191 . 1 . 1 216 216 ASP C C 13 177.102 0.00 . 1 . . . . . 216 ASP C . 50618 1 192 . 1 . 1 216 216 ASP CA C 13 55.189 0.00 . 1 . . . . . 216 ASP CA . 50618 1 193 . 1 . 1 216 216 ASP CB C 13 40.965 0.00 . 1 . . . . . 216 ASP CB . 50618 1 194 . 1 . 1 216 216 ASP N N 15 120.319 0.00 . 1 . . . . . 216 ASP N . 50618 1 195 . 1 . 1 217 217 ALA H H 1 8.369 0.00 . 1 . . . . . 217 ALA HN . 50618 1 196 . 1 . 1 217 217 ALA C C 13 178.718 0.00 . 1 . . . . . 217 ALA C . 50618 1 197 . 1 . 1 217 217 ALA CA C 13 53.296 0.00 . 1 . . . . . 217 ALA CA . 50618 1 198 . 1 . 1 217 217 ALA CB C 13 18.726 0.00 . 1 . . . . . 217 ALA CB . 50618 1 199 . 1 . 1 217 217 ALA N N 15 125.042 0.00 . 1 . . . . . 217 ALA N . 50618 1 200 . 1 . 1 218 218 ALA H H 1 8.067 0.00 . 1 . . . . . 218 ALA HN . 50618 1 201 . 1 . 1 218 218 ALA C C 13 179.456 0.00 . 1 . . . . . 218 ALA C . 50618 1 202 . 1 . 1 218 218 ALA CA C 13 54.104 0.00 . 1 . . . . . 218 ALA CA . 50618 1 203 . 1 . 1 218 218 ALA CB C 13 20.892 0.00 . 1 . . . . . 218 ALA CB . 50618 1 204 . 1 . 1 218 218 ALA N N 15 121.187 0.00 . 1 . . . . . 218 ALA N . 50618 1 205 . 1 . 1 219 219 LEU H H 1 7.911 0.00 . 1 . . . . . 219 LEU HN . 50618 1 206 . 1 . 1 219 219 LEU C C 13 178.254 0.00 . 1 . . . . . 219 LEU C . 50618 1 207 . 1 . 1 219 219 LEU CA C 13 53.936 0.00 . 1 . . . . . 219 LEU CA . 50618 1 208 . 1 . 1 219 219 LEU CB C 13 41.715 0.00 . 1 . . . . . 219 LEU CB . 50618 1 209 . 1 . 1 219 219 LEU N N 15 119.956 0.00 . 1 . . . . . 219 LEU N . 50618 1 210 . 1 . 1 220 220 ALA H H 1 7.960 0.00 . 1 . . . . . 220 ALA HN . 50618 1 211 . 1 . 1 220 220 ALA C C 13 179.247 0.00 . 1 . . . . . 220 ALA C . 50618 1 212 . 1 . 1 220 220 ALA CA C 13 53.884 0.00 . 1 . . . . . 220 ALA CA . 50618 1 213 . 1 . 1 220 220 ALA CB C 13 18.346 0.00 . 1 . . . . . 220 ALA CB . 50618 1 214 . 1 . 1 220 220 ALA N N 15 121.813 0.00 . 1 . . . . . 220 ALA N . 50618 1 215 . 1 . 1 227 227 LEU C C 13 177.254 0.00 . 1 . . . . . 227 LEU C . 50618 1 216 . 1 . 1 227 227 LEU CA C 13 56.084 0.00 . 1 . . . . . 227 LEU CA . 50618 1 217 . 1 . 1 227 227 LEU CB C 13 41.235 0.00 . 1 . . . . . 227 LEU CB . 50618 1 218 . 1 . 1 228 228 ASN H H 1 8.389 0.00 . 1 . . . . . 228 ASN HN . 50618 1 219 . 1 . 1 228 228 ASN C C 13 175.491 0.00 . 1 . . . . . 228 ASN C . 50618 1 220 . 1 . 1 228 228 ASN CA C 13 53.269 0.00 . 1 . . . . . 228 ASN CA . 50618 1 221 . 1 . 1 228 228 ASN CB C 13 41.281 0.00 . 1 . . . . . 228 ASN CB . 50618 1 222 . 1 . 1 228 228 ASN N N 15 119.057 0.00 . 1 . . . . . 228 ASN N . 50618 1 223 . 1 . 1 229 229 GLN H H 1 8.403 0.00 . 1 . . . . . 229 GLN HN . 50618 1 224 . 1 . 1 229 229 GLN CA C 13 56.038 0.00 . 1 . . . . . 229 GLN CA . 50618 1 225 . 1 . 1 229 229 GLN CB C 13 29.096 0.00 . 1 . . . . . 229 GLN CB . 50618 1 226 . 1 . 1 229 229 GLN N N 15 120.355 0.00 . 1 . . . . . 229 GLN N . 50618 1 227 . 1 . 1 231 231 GLU H H 1 8.265 0.00 . 1 . . . . . 231 GLU HN . 50618 1 228 . 1 . 1 231 231 GLU C C 13 176.710 0.00 . 1 . . . . . 231 GLU C . 50618 1 229 . 1 . 1 231 231 GLU CA C 13 56.422 0.00 . 1 . . . . . 231 GLU CA . 50618 1 230 . 1 . 1 231 231 GLU CB C 13 30.236 0.00 . 1 . . . . . 231 GLU CB . 50618 1 231 . 1 . 1 231 231 GLU N N 15 120.355 0.00 . 1 . . . . . 231 GLU N . 50618 1 232 . 1 . 1 232 232 SER H H 1 8.220 0.00 . 1 . . . . . 232 SER HN . 50618 1 233 . 1 . 1 232 232 SER C C 13 174.800 0.00 . 1 . . . . . 232 SER C . 50618 1 234 . 1 . 1 232 232 SER CA C 13 58.418 0.00 . 1 . . . . . 232 SER CA . 50618 1 235 . 1 . 1 232 232 SER CB C 13 63.701 0.00 . 1 . . . . . 232 SER CB . 50618 1 236 . 1 . 1 232 232 SER N N 15 116.418 0.00 . 1 . . . . . 232 SER N . 50618 1 237 . 1 . 1 233 233 LYS H H 1 8.318 0.00 . 1 . . . . . 233 LYS HN . 50618 1 238 . 1 . 1 233 233 LYS C C 13 176.507 0.00 . 1 . . . . . 233 LYS C . 50618 1 239 . 1 . 1 233 233 LYS CA C 13 56.171 0.00 . 1 . . . . . 233 LYS CA . 50618 1 240 . 1 . 1 233 233 LYS CB C 13 30.478 0.00 . 1 . . . . . 233 LYS CB . 50618 1 241 . 1 . 1 233 233 LYS N N 15 122.829 0.00 . 1 . . . . . 233 LYS N . 50618 1 242 . 1 . 1 234 234 MET H H 1 8.256 0.00 . 1 . . . . . 234 MET HN . 50618 1 243 . 1 . 1 234 234 MET C C 13 176.555 0.00 . 1 . . . . . 234 MET C . 50618 1 244 . 1 . 1 234 234 MET CA C 13 55.938 0.00 . 1 . . . . . 234 MET CA . 50618 1 245 . 1 . 1 234 234 MET CB C 13 30.109 0.00 . 1 . . . . . 234 MET CB . 50618 1 246 . 1 . 1 234 234 MET N N 15 121.366 0.00 . 1 . . . . . 234 MET N . 50618 1 247 . 1 . 1 235 235 SER H H 1 8.306 0.00 . 1 . . . . . 235 SER HN . 50618 1 248 . 1 . 1 235 235 SER C C 13 175.229 0.00 . 1 . . . . . 235 SER C . 50618 1 249 . 1 . 1 235 235 SER CA C 13 58.512 0.00 . 1 . . . . . 235 SER CA . 50618 1 250 . 1 . 1 235 235 SER CB C 13 63.708 0.00 . 1 . . . . . 235 SER CB . 50618 1 251 . 1 . 1 235 235 SER N N 15 116.302 0.00 . 1 . . . . . 235 SER N . 50618 1 252 . 1 . 1 236 236 GLY H H 1 8.431 0.00 . 1 . . . . . 236 GLY HN . 50618 1 253 . 1 . 1 236 236 GLY C C 13 174.377 0.00 . 1 . . . . . 236 GLY C . 50618 1 254 . 1 . 1 236 236 GLY CA C 13 45.434 0.00 . 1 . . . . . 236 GLY CA . 50618 1 255 . 1 . 1 236 236 GLY N N 15 111.056 0.00 . 1 . . . . . 236 GLY N . 50618 1 256 . 1 . 1 237 237 LYS H H 1 8.187 0.00 . 1 . . . . . 237 LYS HN . 50618 1 257 . 1 . 1 237 237 LYS C C 13 177.366 0.00 . 1 . . . . . 237 LYS C . 50618 1 258 . 1 . 1 237 237 LYS CA C 13 56.458 0.00 . 1 . . . . . 237 LYS CA . 50618 1 259 . 1 . 1 237 237 LYS CB C 13 32.957 0.00 . 1 . . . . . 237 LYS CB . 50618 1 260 . 1 . 1 237 237 LYS N N 15 120.694 0.00 . 1 . . . . . 237 LYS N . 50618 1 261 . 1 . 1 238 238 GLY H H 1 8.485 0.00 . 1 . . . . . 238 GLY HN . 50618 1 262 . 1 . 1 238 238 GLY C C 13 174.340 0.00 . 1 . . . . . 238 GLY C . 50618 1 263 . 1 . 1 238 238 GLY CA C 13 45.347 0.00 . 1 . . . . . 238 GLY CA . 50618 1 264 . 1 . 1 238 238 GLY N N 15 109.851 0.00 . 1 . . . . . 238 GLY N . 50618 1 265 . 1 . 1 239 239 GLN H H 1 8.244 0.00 . 1 . . . . . 239 GLN HN . 50618 1 266 . 1 . 1 239 239 GLN C C 13 176.181 0.00 . 1 . . . . . 239 GLN C . 50618 1 267 . 1 . 1 239 239 GLN CA C 13 55.786 0.00 . 1 . . . . . 239 GLN CA . 50618 1 268 . 1 . 1 239 239 GLN CB C 13 29.221 0.00 . 1 . . . . . 239 GLN CB . 50618 1 269 . 1 . 1 239 239 GLN N N 15 119.705 0.00 . 1 . . . . . 239 GLN N . 50618 1 270 . 1 . 1 240 240 GLN H H 1 8.468 0.00 . 1 . . . . . 240 GLN HN . 50618 1 271 . 1 . 1 240 240 GLN C C 13 176.104 0.00 . 1 . . . . . 240 GLN C . 50618 1 272 . 1 . 1 240 240 GLN CA C 13 56.013 0.00 . 1 . . . . . 240 GLN CA . 50618 1 273 . 1 . 1 240 240 GLN CB C 13 29.294 0.00 . 1 . . . . . 240 GLN CB . 50618 1 274 . 1 . 1 240 240 GLN N N 15 121.451 0.00 . 1 . . . . . 240 GLN N . 50618 1 275 . 1 . 1 241 241 GLN H H 1 8.332 0.00 . 1 . . . . . 241 GLN HN . 50618 1 276 . 1 . 1 241 241 GLN C C 13 176.245 0.00 . 1 . . . . . 241 GLN C . 50618 1 277 . 1 . 1 241 241 GLN CA C 13 55.847 0.00 . 1 . . . . . 241 GLN CA . 50618 1 278 . 1 . 1 241 241 GLN CB C 13 29.855 0.00 . 1 . . . . . 241 GLN CB . 50618 1 279 . 1 . 1 241 241 GLN N N 15 121.465 0.00 . 1 . . . . . 241 GLN N . 50618 1 280 . 1 . 1 242 242 GLN H H 1 8.461 0.00 . 1 . . . . . 242 GLN HN . 50618 1 281 . 1 . 1 242 242 GLN C C 13 176.421 0.00 . 1 . . . . . 242 GLN C . 50618 1 282 . 1 . 1 242 242 GLN CA C 13 55.946 0.00 . 1 . . . . . 242 GLN CA . 50618 1 283 . 1 . 1 242 242 GLN CB C 13 29.749 0.00 . 1 . . . . . 242 GLN CB . 50618 1 284 . 1 . 1 242 242 GLN N N 15 121.379 0.00 . 1 . . . . . 242 GLN N . 50618 1 285 . 1 . 1 243 243 GLY H H 1 8.362 0.00 . 1 . . . . . 243 GLY HN . 50618 1 286 . 1 . 1 243 243 GLY C C 13 174.067 0.00 . 1 . . . . . 243 GLY C . 50618 1 287 . 1 . 1 243 243 GLY CA C 13 45.296 0.00 . 1 . . . . . 243 GLY CA . 50618 1 288 . 1 . 1 243 243 GLY N N 15 109.912 0.00 . 1 . . . . . 243 GLY N . 50618 1 289 . 1 . 1 244 244 GLN H H 1 8.264 0.00 . 1 . . . . . 244 GLN HN . 50618 1 290 . 1 . 1 244 244 GLN C C 13 176.210 0.00 . 1 . . . . . 244 GLN C . 50618 1 291 . 1 . 1 244 244 GLN CA C 13 55.628 0.00 . 1 . . . . . 244 GLN CA . 50618 1 292 . 1 . 1 244 244 GLN CB C 13 29.591 0.00 . 1 . . . . . 244 GLN CB . 50618 1 293 . 1 . 1 244 244 GLN N N 15 119.747 0.00 . 1 . . . . . 244 GLN N . 50618 1 294 . 1 . 1 245 245 THR H H 1 8.310 0.00 . 1 . . . . . 245 THR HN . 50618 1 295 . 1 . 1 245 245 THR C C 13 174.403 0.00 . 1 . . . . . 245 THR C . 50618 1 296 . 1 . 1 245 245 THR CA C 13 61.969 0.00 . 1 . . . . . 245 THR CA . 50618 1 297 . 1 . 1 245 245 THR CB C 13 69.772 0.00 . 1 . . . . . 245 THR CB . 50618 1 298 . 1 . 1 245 245 THR N N 15 116.528 0.00 . 1 . . . . . 245 THR N . 50618 1 299 . 1 . 1 246 246 VAL H H 1 8.281 0.00 . 1 . . . . . 246 VAL HN . 50618 1 300 . 1 . 1 246 246 VAL C C 13 176.154 0.00 . 1 . . . . . 246 VAL C . 50618 1 301 . 1 . 1 246 246 VAL CA C 13 62.138 0.00 . 1 . . . . . 246 VAL CA . 50618 1 302 . 1 . 1 246 246 VAL CB C 13 32.854 0.00 . 1 . . . . . 246 VAL CB . 50618 1 303 . 1 . 1 246 246 VAL N N 15 123.320 0.00 . 1 . . . . . 246 VAL N . 50618 1 304 . 1 . 1 247 247 THR H H 1 8.321 0.00 . 1 . . . . . 247 THR HN . 50618 1 305 . 1 . 1 247 247 THR C C 13 173.592 0.00 . 1 . . . . . 247 THR C . 50618 1 306 . 1 . 1 247 247 THR CA C 13 61.756 0.00 . 1 . . . . . 247 THR CA . 50618 1 307 . 1 . 1 247 247 THR CB C 13 69.880 0.00 . 1 . . . . . 247 THR CB . 50618 1 308 . 1 . 1 247 247 THR N N 15 119.358 0.00 . 1 . . . . . 247 THR N . 50618 1 309 . 1 . 1 248 248 LYS H H 1 8.022 0.00 . 1 . . . . . 248 LYS HN . 50618 1 310 . 1 . 1 248 248 LYS C C 13 181.185 0.00 . 1 . . . . . 248 LYS C . 50618 1 311 . 1 . 1 248 248 LYS CA C 13 57.774 0.00 . 1 . . . . . 248 LYS CA . 50618 1 312 . 1 . 1 248 248 LYS CB C 13 33.614 0.00 . 1 . . . . . 248 LYS CB . 50618 1 313 . 1 . 1 248 248 LYS N N 15 129.268 0.00 . 1 . . . . . 248 LYS N . 50618 1 stop_ save_