################################### # 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 53084 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'LASV FD Post-Fusion Shifts' _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 HSQC' . . . 53084 1 2 '3D HNCA' . . . 53084 1 3 '3D HNCO' . . . 53084 1 4 '3D HNCACB' . . . 53084 1 5 '3D HN(CA)CO' . . . 53084 1 6 '3D HN(CO)CA' . . . 53084 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 . . 53084 1 2 $software_2 . . 53084 1 3 $software_3 . . 53084 1 4 $software_4 . . 53084 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 1 1 GLY H H 1 7.313 0.015 . 1 . . . . . 260 G H . 53084 1 2 . 1 . 1 1 1 GLY C C 13 170.306 0.067 . 1 . . . . . 260 G C . 53084 1 3 . 1 . 1 1 1 GLY CA C 13 43.598 0.087 . 1 . . . . . 260 G CA . 53084 1 4 . 1 . 1 1 1 GLY N N 15 119.953 0.138 . 1 . . . . . 260 G N . 53084 1 5 . 1 . 1 2 2 THR H H 1 8.455 0.015 . 1 . . . . . 261 T H . 53084 1 6 . 1 . 1 2 2 THR C C 13 174.095 0.146 . 1 . . . . . 261 T C . 53084 1 7 . 1 . 1 2 2 THR CA C 13 62.742 0.101 . 1 . . . . . 261 T CA . 53084 1 8 . 1 . 1 2 2 THR CB C 13 69.948 0.064 . 1 . . . . . 261 T CB . 53084 1 9 . 1 . 1 2 2 THR N N 15 114.922 0.177 . 1 . . . . . 261 T N . 53084 1 10 . 1 . 1 3 3 PHE H H 1 8.439 0.028 . 1 . . . . . 262 F H . 53084 1 11 . 1 . 1 3 3 PHE C C 13 175.611 0.030 . 1 . . . . . 262 F C . 53084 1 12 . 1 . 1 3 3 PHE CA C 13 58.171 0.129 . 1 . . . . . 262 F CA . 53084 1 13 . 1 . 1 3 3 PHE CB C 13 39.648 0.122 . 1 . . . . . 262 F CB . 53084 1 14 . 1 . 1 3 3 PHE N N 15 121.964 0.152 . 1 . . . . . 262 F N . 53084 1 15 . 1 . 1 4 4 THR H H 1 7.879 0.004 . 1 . . . . . 263 T H . 53084 1 16 . 1 . 1 4 4 THR C C 13 173.729 0.050 . 1 . . . . . 263 T C . 53084 1 17 . 1 . 1 4 4 THR CA C 13 61.922 0.105 . 1 . . . . . 263 T CA . 53084 1 18 . 1 . 1 4 4 THR CB C 13 69.675 0.080 . 1 . . . . . 263 T CB . 53084 1 19 . 1 . 1 4 4 THR N N 15 114.388 0.113 . 1 . . . . . 263 T N . 53084 1 20 . 1 . 1 5 5 TRP H H 1 7.996 0.061 . 1 . . . . . 264 W H . 53084 1 21 . 1 . 1 5 5 TRP C C 13 175.255 0.014 . 1 . . . . . 264 W C . 53084 1 22 . 1 . 1 5 5 TRP CA C 13 53.251 0.145 . 1 . . . . . 264 W CA . 53084 1 23 . 1 . 1 5 5 TRP CB C 13 40.645 0.110 . 1 . . . . . 264 W CB . 53084 1 24 . 1 . 1 5 5 TRP N N 15 121.397 0.127 . 1 . . . . . 264 W N . 53084 1 25 . 1 . 1 6 6 THR H H 1 7.813 0.007 . 1 . . . . . 265 T H . 53084 1 26 . 1 . 1 6 6 THR C C 13 174.262 0.003 . 1 . . . . . 265 T C . 53084 1 27 . 1 . 1 6 6 THR CA C 13 62.199 0.079 . 1 . . . . . 265 T CA . 53084 1 28 . 1 . 1 6 6 THR CB C 13 69.828 0.040 . 1 . . . . . 265 T CB . 53084 1 29 . 1 . 1 6 6 THR N N 15 114.277 0.124 . 1 . . . . . 265 T N . 53084 1 30 . 1 . 1 7 7 LEU H H 1 8.134 0.009 . 1 . . . . . 266 L H . 53084 1 31 . 1 . 1 7 7 LEU C C 13 177.177 0.023 . 1 . . . . . 266 L C . 53084 1 32 . 1 . 1 7 7 LEU CA C 13 55.451 0.129 . 1 . . . . . 266 L CA . 53084 1 33 . 1 . 1 7 7 LEU CB C 13 42.119 0.304 . 1 . . . . . 266 L CB . 53084 1 34 . 1 . 1 7 7 LEU N N 15 123.790 0.076 . 1 . . . . . 266 L N . 53084 1 35 . 1 . 1 8 8 SER H H 1 8.101 0.012 . 1 . . . . . 267 S H . 53084 1 36 . 1 . 1 8 8 SER C C 13 174.370 0.017 . 1 . . . . . 267 S C . 53084 1 37 . 1 . 1 8 8 SER CA C 13 58.608 0.140 . 1 . . . . . 267 S CA . 53084 1 38 . 1 . 1 8 8 SER CB C 13 64.145 0.158 . 1 . . . . . 267 S CB . 53084 1 39 . 1 . 1 8 8 SER N N 15 115.713 0.112 . 1 . . . . . 267 S N . 53084 1 40 . 1 . 1 9 9 ASP H H 1 8.280 0.005 . 1 . . . . . 268 D H . 53084 1 41 . 1 . 1 9 9 ASP C C 13 176.190 0.085 . 1 . . . . . 268 D C . 53084 1 42 . 1 . 1 9 9 ASP CA C 13 54.274 0.050 . 1 . . . . . 268 D CA . 53084 1 43 . 1 . 1 9 9 ASP CB C 13 40.445 0.168 . 1 . . . . . 268 D CB . 53084 1 44 . 1 . 1 9 9 ASP N N 15 121.848 0.129 . 1 . . . . . 268 D N . 53084 1 45 . 1 . 1 10 10 SER H H 1 8.172 0.003 . 1 . . . . . 269 S H . 53084 1 46 . 1 . 1 10 10 SER C C 13 174.792 0.045 . 1 . . . . . 269 S C . 53084 1 47 . 1 . 1 10 10 SER CA C 13 59.030 0.096 . 1 . . . . . 269 S CA . 53084 1 48 . 1 . 1 10 10 SER CB C 13 64.048 0.122 . 1 . . . . . 269 S CB . 53084 1 49 . 1 . 1 10 10 SER N N 15 115.746 0.164 . 1 . . . . . 269 S N . 53084 1 50 . 1 . 1 11 11 GLU H H 1 8.220 0.012 . 1 . . . . . 270 E H . 53084 1 51 . 1 . 1 11 11 GLU C C 13 176.730 0.032 . 1 . . . . . 270 E C . 53084 1 52 . 1 . 1 11 11 GLU CA C 13 56.677 0.066 . 1 . . . . . 270 E CA . 53084 1 53 . 1 . 1 11 11 GLU CB C 13 29.284 0.251 . 1 . . . . . 270 E CB . 53084 1 54 . 1 . 1 11 11 GLU N N 15 121.619 0.046 . 1 . . . . . 270 E N . 53084 1 55 . 1 . 1 12 12 GLY H H 1 8.272 0.016 . 1 . . . . . 271 G H . 53084 1 56 . 1 . 1 12 12 GLY C C 13 174.214 0.092 . 1 . . . . . 271 G C . 53084 1 57 . 1 . 1 12 12 GLY CA C 13 45.761 0.024 . 1 . . . . . 271 G CA . 53084 1 58 . 1 . 1 12 12 GLY N N 15 109.307 0.100 . 1 . . . . . 271 G N . 53084 1 59 . 1 . 1 13 13 LYS H H 1 8.004 0.007 . 1 . . . . . 272 K H . 53084 1 60 . 1 . 1 13 13 LYS C C 13 176.267 0.023 . 1 . . . . . 272 K C . 53084 1 61 . 1 . 1 13 13 LYS CA C 13 56.452 0.031 . 1 . . . . . 272 K CA . 53084 1 62 . 1 . 1 13 13 LYS CB C 13 32.972 0.145 . 1 . . . . . 272 K CB . 53084 1 63 . 1 . 1 13 13 LYS N N 15 120.291 0.145 . 1 . . . . . 272 K N . 53084 1 64 . 1 . 1 14 14 ASP H H 1 8.331 0.006 . 1 . . . . . 273 D H . 53084 1 65 . 1 . 1 14 14 ASP C C 13 175.493 0.076 . 1 . . . . . 273 D C . 53084 1 66 . 1 . 1 14 14 ASP CA C 13 54.112 0.035 . 1 . . . . . 273 D CA . 53084 1 67 . 1 . 1 14 14 ASP CB C 13 40.377 0.188 . 1 . . . . . 273 D CB . 53084 1 68 . 1 . 1 14 14 ASP N N 15 120.246 0.041 . 1 . . . . . 273 D N . 53084 1 69 . 1 . 1 15 15 THR H H 1 7.925 0.007 . 1 . . . . . 274 T H . 53084 1 70 . 1 . 1 15 15 THR C C 13 172.964 0.014 . 1 . . . . . 274 T C . 53084 1 71 . 1 . 1 15 15 THR CA C 13 59.780 0.054 . 1 . . . . . 274 T CA . 53084 1 72 . 1 . 1 15 15 THR CB C 13 69.934 0.037 . 1 . . . . . 274 T CB . 53084 1 73 . 1 . 1 15 15 THR CG2 C 13 21.194 0.000 . 1 . . . . . 274 T CG2 . 53084 1 74 . 1 . 1 15 15 THR N N 15 115.742 0.163 . 1 . . . . . 274 T N . 53084 1 75 . 1 . 1 16 16 PRO C C 13 177.388 0.038 . 1 . . . . . 275 P C . 53084 1 76 . 1 . 1 16 16 PRO CA C 13 63.715 0.057 . 1 . . . . . 275 P CA . 53084 1 77 . 1 . 1 16 16 PRO CB C 13 31.886 0.198 . 1 . . . . . 275 P CB . 53084 1 78 . 1 . 1 17 17 GLY H H 1 8.293 0.013 . 1 . . . . . 276 G H . 53084 1 79 . 1 . 1 17 17 GLY C C 13 174.411 0.034 . 1 . . . . . 276 G C . 53084 1 80 . 1 . 1 17 17 GLY CA C 13 45.487 0.057 . 1 . . . . . 276 G CA . 53084 1 81 . 1 . 1 17 17 GLY N N 15 108.805 0.123 . 1 . . . . . 276 G N . 53084 1 82 . 1 . 1 18 18 GLY H H 1 8.077 0.022 . 1 . . . . . 277 G H . 53084 1 83 . 1 . 1 18 18 GLY C C 13 173.912 0.055 . 1 . . . . . 277 G C . 53084 1 84 . 1 . 1 18 18 GLY CA C 13 45.559 0.046 . 1 . . . . . 277 G CA . 53084 1 85 . 1 . 1 18 18 GLY N N 15 108.249 0.150 . 1 . . . . . 277 G N . 53084 1 86 . 1 . 1 19 19 TYR H H 1 8.020 0.013 . 1 . . . . . 278 Y H . 53084 1 87 . 1 . 1 19 19 TYR C C 13 175.682 0.035 . 1 . . . . . 278 Y C . 53084 1 88 . 1 . 1 19 19 TYR CA C 13 58.248 0.038 . 1 . . . . . 278 Y CA . 53084 1 89 . 1 . 1 19 19 TYR CB C 13 38.948 0.064 . 1 . . . . . 278 Y CB . 53084 1 90 . 1 . 1 19 19 TYR N N 15 119.533 0.172 . 1 . . . . . 278 Y N . 53084 1 91 . 1 . 1 20 20 CYS H H 1 8.367 0.011 . 1 . . . . . 279 C H . 53084 1 92 . 1 . 1 20 20 CYS C C 13 174.058 0.107 . 1 . . . . . 279 C C . 53084 1 93 . 1 . 1 20 20 CYS CA C 13 56.270 0.119 . 1 . . . . . 279 C CA . 53084 1 94 . 1 . 1 20 20 CYS CB C 13 42.032 0.351 . 1 . . . . . 279 C CB . 53084 1 95 . 1 . 1 20 20 CYS N N 15 119.183 0.152 . 1 . . . . . 279 C N . 53084 1 96 . 1 . 1 21 21 LEU H H 1 8.062 0.016 . 1 . . . . . 280 L H . 53084 1 97 . 1 . 1 21 21 LEU C C 13 175.872 0.431 . 1 . . . . . 280 L C . 53084 1 98 . 1 . 1 21 21 LEU CA C 13 55.599 0.163 . 1 . . . . . 280 L CA . 53084 1 99 . 1 . 1 21 21 LEU CB C 13 42.415 0.494 . 1 . . . . . 280 L CB . 53084 1 100 . 1 . 1 21 21 LEU N N 15 121.517 0.103 . 1 . . . . . 280 L N . 53084 1 101 . 1 . 1 22 22 THR H H 1 8.116 0.013 . 1 . . . . . 281 T H . 53084 1 102 . 1 . 1 22 22 THR C C 13 173.837 0.335 . 1 . . . . . 281 T C . 53084 1 103 . 1 . 1 22 22 THR CA C 13 62.041 0.248 . 1 . . . . . 281 T CA . 53084 1 104 . 1 . 1 22 22 THR CB C 13 69.917 0.057 . 1 . . . . . 281 T CB . 53084 1 105 . 1 . 1 22 22 THR N N 15 115.010 0.125 . 1 . . . . . 281 T N . 53084 1 106 . 1 . 1 23 23 ARG H H 1 7.905 0.026 . 1 . . . . . 282 R H . 53084 1 107 . 1 . 1 23 23 ARG C C 13 175.322 0.090 . 1 . . . . . 282 R C . 53084 1 108 . 1 . 1 23 23 ARG CA C 13 57.386 0.105 . 1 . . . . . 282 R CA . 53084 1 109 . 1 . 1 23 23 ARG CB C 13 29.738 0.301 . 1 . . . . . 282 R CB . 53084 1 110 . 1 . 1 23 23 ARG N N 15 122.721 0.194 . 1 . . . . . 282 R N . 53084 1 111 . 1 . 1 24 24 TRP H H 1 8.049 0.018 . 1 . . . . . 283 W H . 53084 1 112 . 1 . 1 24 24 TRP C C 13 176.166 0.080 . 1 . . . . . 283 W C . 53084 1 113 . 1 . 1 24 24 TRP CA C 13 58.831 0.099 . 1 . . . . . 283 W CA . 53084 1 114 . 1 . 1 24 24 TRP CB C 13 32.933 0.076 . 1 . . . . . 283 W CB . 53084 1 115 . 1 . 1 24 24 TRP N N 15 119.670 0.120 . 1 . . . . . 283 W N . 53084 1 116 . 1 . 1 25 25 MET H H 1 8.417 0.014 . 1 . . . . . 284 M H . 53084 1 117 . 1 . 1 25 25 MET C C 13 176.302 0.046 . 1 . . . . . 284 M C . 53084 1 118 . 1 . 1 25 25 MET CA C 13 56.761 0.068 . 1 . . . . . 284 M CA . 53084 1 119 . 1 . 1 25 25 MET CB C 13 29.282 0.213 . 1 . . . . . 284 M CB . 53084 1 120 . 1 . 1 25 25 MET N N 15 122.009 0.121 . 1 . . . . . 284 M N . 53084 1 121 . 1 . 1 26 26 LEU H H 1 7.974 0.017 . 1 . . . . . 285 L H . 53084 1 122 . 1 . 1 26 26 LEU C C 13 177.135 0.065 . 1 . . . . . 285 L C . 53084 1 123 . 1 . 1 26 26 LEU CA C 13 56.073 0.106 . 1 . . . . . 285 L CA . 53084 1 124 . 1 . 1 26 26 LEU CB C 13 42.209 1.011 . 1 . . . . . 285 L CB . 53084 1 125 . 1 . 1 26 26 LEU N N 15 120.751 0.304 . 1 . . . . . 285 L N . 53084 1 126 . 1 . 1 27 27 ILE C C 13 174.354 0.207 . 1 . . . . . 286 I C . 53084 1 127 . 1 . 1 27 27 ILE CA C 13 62.433 0.050 . 1 . . . . . 286 I CA . 53084 1 128 . 1 . 1 27 27 ILE CB C 13 39.438 0.000 . 1 . . . . . 286 I CB . 53084 1 129 . 1 . 1 28 28 GLU H H 1 8.104 0.021 . 1 . . . . . 287 E H . 53084 1 130 . 1 . 1 28 28 GLU C C 13 176.438 0.088 . 1 . . . . . 287 E C . 53084 1 131 . 1 . 1 28 28 GLU CA C 13 56.278 0.224 . 1 . . . . . 287 E CA . 53084 1 132 . 1 . 1 28 28 GLU CB C 13 28.633 0.129 . 1 . . . . . 287 E CB . 53084 1 133 . 1 . 1 28 28 GLU N N 15 121.079 0.224 . 1 . . . . . 287 E N . 53084 1 134 . 1 . 1 29 29 ALA H H 1 8.011 0.027 . 1 . . . . . 288 A H . 53084 1 135 . 1 . 1 29 29 ALA C C 13 177.863 0.069 . 1 . . . . . 288 A C . 53084 1 136 . 1 . 1 29 29 ALA CA C 13 53.536 0.111 . 1 . . . . . 288 A CA . 53084 1 137 . 1 . 1 29 29 ALA CB C 13 19.029 0.207 . 1 . . . . . 288 A CB . 53084 1 138 . 1 . 1 29 29 ALA N N 15 121.481 0.097 . 1 . . . . . 288 A N . 53084 1 139 . 1 . 1 30 30 GLU H H 1 8.070 0.015 . 1 . . . . . 289 E H . 53084 1 140 . 1 . 1 30 30 GLU C C 13 176.271 0.148 . 1 . . . . . 289 E C . 53084 1 141 . 1 . 1 30 30 GLU CA C 13 56.890 0.146 . 1 . . . . . 289 E CA . 53084 1 142 . 1 . 1 30 30 GLU CB C 13 29.115 0.153 . 1 . . . . . 289 E CB . 53084 1 143 . 1 . 1 30 30 GLU N N 15 117.453 0.072 . 1 . . . . . 289 E N . 53084 1 144 . 1 . 1 31 31 LEU H H 1 7.987 0.024 . 1 . . . . . 290 L H . 53084 1 145 . 1 . 1 31 31 LEU C C 13 176.979 0.077 . 1 . . . . . 290 L C . 53084 1 146 . 1 . 1 31 31 LEU CA C 13 55.611 0.110 . 1 . . . . . 290 L CA . 53084 1 147 . 1 . 1 31 31 LEU CB C 13 41.940 0.354 . 1 . . . . . 290 L CB . 53084 1 148 . 1 . 1 31 31 LEU N N 15 121.908 0.234 . 1 . . . . . 290 L N . 53084 1 149 . 1 . 1 32 32 LYS H H 1 7.941 0.019 . 1 . . . . . 291 K H . 53084 1 150 . 1 . 1 32 32 LYS C C 13 176.481 0.072 . 1 . . . . . 291 K C . 53084 1 151 . 1 . 1 32 32 LYS CA C 13 56.693 0.114 . 1 . . . . . 291 K CA . 53084 1 152 . 1 . 1 32 32 LYS CB C 13 32.265 0.235 . 1 . . . . . 291 K CB . 53084 1 153 . 1 . 1 32 32 LYS N N 15 119.279 0.144 . 1 . . . . . 291 K N . 53084 1 154 . 1 . 1 33 33 CYS H H 1 8.076 0.018 . 1 . . . . . 292 C H . 53084 1 155 . 1 . 1 33 33 CYS C C 13 174.199 0.023 . 1 . . . . . 292 C C . 53084 1 156 . 1 . 1 33 33 CYS CA C 13 56.158 0.135 . 1 . . . . . 292 C CA . 53084 1 157 . 1 . 1 33 33 CYS CB C 13 42.200 0.174 . 1 . . . . . 292 C CB . 53084 1 158 . 1 . 1 33 33 CYS N N 15 118.285 0.071 . 1 . . . . . 292 C N . 53084 1 159 . 1 . 1 34 34 PHE H H 1 8.115 0.010 . 1 . . . . . 293 F H . 53084 1 160 . 1 . 1 34 34 PHE C C 13 175.634 0.022 . 1 . . . . . 293 F C . 53084 1 161 . 1 . 1 34 34 PHE CA C 13 58.031 0.108 . 1 . . . . . 293 F CA . 53084 1 162 . 1 . 1 34 34 PHE CB C 13 39.889 0.046 . 1 . . . . . 293 F CB . 53084 1 163 . 1 . 1 34 34 PHE N N 15 119.793 0.206 . 1 . . . . . 293 F N . 53084 1 164 . 1 . 1 35 35 GLY H H 1 8.179 0.008 . 1 . . . . . 294 G H . 53084 1 165 . 1 . 1 35 35 GLY C C 13 172.911 0.003 . 1 . . . . . 294 G C . 53084 1 166 . 1 . 1 35 35 GLY CA C 13 45.538 0.024 . 1 . . . . . 294 G CA . 53084 1 167 . 1 . 1 35 35 GLY N N 15 109.528 0.073 . 1 . . . . . 294 G N . 53084 1 168 . 1 . 1 36 36 ASN H H 1 7.839 0.003 . 1 . . . . . 295 N H . 53084 1 169 . 1 . 1 36 36 ASN C C 13 179.042 0.076 . 1 . . . . . 295 N C . 53084 1 170 . 1 . 1 36 36 ASN CA C 13 54.693 0.041 . 1 . . . . . 295 N CA . 53084 1 171 . 1 . 1 36 36 ASN CB C 13 40.578 0.006 . 1 . . . . . 295 N CB . 53084 1 172 . 1 . 1 36 36 ASN N N 15 123.221 0.019 . 1 . . . . . 295 N N . 53084 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 53084 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'LASV FD Post-Fusion Shifts' _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 HSQC' . . . 53084 2 2 '3D HNCA' . . . 53084 2 3 '3D HNCO' . . . 53084 2 4 '3D HNCACB' . . . 53084 2 5 '3D HN(CA)CO' . . . 53084 2 6 '3D HN(CO)CA' . . . 53084 2 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 . . 53084 2 2 $software_2 . . 53084 2 3 $software_3 . . 53084 2 4 $software_4 . . 53084 2 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 2 2 THR C C 13 174.005 0.017 . 1 . . . . . 261 T C . 53084 2 2 . 1 . 1 2 2 THR CA C 13 62.711 0.037 . 1 . . . . . 261 T CA . 53084 2 3 . 1 . 1 2 2 THR CB C 13 69.868 0.009 . 1 . . . . . 261 T CB . 53084 2 4 . 1 . 1 3 3 PHE H H 1 8.340 0.014 . 1 . . . . . 262 F H . 53084 2 5 . 1 . 1 3 3 PHE C C 13 174.906 0.191 . 1 . . . . . 262 F C . 53084 2 6 . 1 . 1 3 3 PHE CA C 13 57.931 0.068 . 1 . . . . . 262 F CA . 53084 2 7 . 1 . 1 3 3 PHE CB C 13 39.657 0.079 . 1 . . . . . 262 F CB . 53084 2 8 . 1 . 1 3 3 PHE N N 15 121.833 0.163 . 1 . . . . . 262 F N . 53084 2 9 . 1 . 1 4 4 THR H H 1 7.556 0.010 . 1 . . . . . 263 T H . 53084 2 10 . 1 . 1 4 4 THR C C 13 172.809 0.024 . 1 . . . . . 263 T C . 53084 2 11 . 1 . 1 4 4 THR CA C 13 61.000 0.084 . 1 . . . . . 263 T CA . 53084 2 12 . 1 . 1 4 4 THR CB C 13 70.122 0.029 . 1 . . . . . 263 T CB . 53084 2 13 . 1 . 1 4 4 THR N N 15 113.699 0.100 . 1 . . . . . 263 T N . 53084 2 14 . 1 . 1 5 5 TRP H H 1 7.980 0.007 . 1 . . . . . 264 W H . 53084 2 15 . 1 . 1 5 5 TRP C C 13 175.427 0.015 . 1 . . . . . 264 W C . 53084 2 16 . 1 . 1 5 5 TRP CA C 13 52.773 0.085 . 1 . . . . . 264 W CA . 53084 2 17 . 1 . 1 5 5 TRP CB C 13 41.003 0.171 . 1 . . . . . 264 W CB . 53084 2 18 . 1 . 1 5 5 TRP N N 15 122.801 0.135 . 1 . . . . . 264 W N . 53084 2 19 . 1 . 1 6 6 THR H H 1 8.024 0.007 . 1 . . . . . 265 T H . 53084 2 20 . 1 . 1 6 6 THR C C 13 174.124 0.264 . 1 . . . . . 265 T C . 53084 2 21 . 1 . 1 6 6 THR CA C 13 61.840 0.399 . 1 . . . . . 265 T CA . 53084 2 22 . 1 . 1 6 6 THR CB C 13 69.802 0.104 . 1 . . . . . 265 T CB . 53084 2 23 . 1 . 1 6 6 THR N N 15 114.808 0.215 . 1 . . . . . 265 T N . 53084 2 24 . 1 . 1 7 7 LEU H H 1 7.943 0.007 . 1 . . . . . 266 L H . 53084 2 25 . 1 . 1 7 7 LEU C C 13 177.179 0.052 . 1 . . . . . 266 L C . 53084 2 26 . 1 . 1 7 7 LEU CA C 13 55.507 0.158 . 1 . . . . . 266 L CA . 53084 2 27 . 1 . 1 7 7 LEU CB C 13 42.107 0.314 . 1 . . . . . 266 L CB . 53084 2 28 . 1 . 1 7 7 LEU N N 15 123.596 0.095 . 1 . . . . . 266 L N . 53084 2 29 . 1 . 1 8 8 SER H H 1 8.060 0.012 . 1 . . . . . 267 S H . 53084 2 30 . 1 . 1 8 8 SER C C 13 174.377 0.021 . 1 . . . . . 267 S C . 53084 2 31 . 1 . 1 8 8 SER CA C 13 58.709 0.105 . 1 . . . . . 267 S CA . 53084 2 32 . 1 . 1 8 8 SER CB C 13 64.144 0.165 . 1 . . . . . 267 S CB . 53084 2 33 . 1 . 1 8 8 SER N N 15 115.393 0.192 . 1 . . . . . 267 S N . 53084 2 34 . 1 . 1 12 12 GLY C C 13 174.015 0.027 . 1 . . . . . 271 G C . 53084 2 35 . 1 . 1 12 12 GLY CA C 13 45.621 0.049 . 1 . . . . . 271 G CA . 53084 2 36 . 1 . 1 13 13 LYS H H 1 8.090 0.008 . 1 . . . . . 272 K H . 53084 2 37 . 1 . 1 13 13 LYS C C 13 176.255 0.015 . 1 . . . . . 272 K C . 53084 2 38 . 1 . 1 13 13 LYS CA C 13 56.383 0.036 . 1 . . . . . 272 K CA . 53084 2 39 . 1 . 1 13 13 LYS CB C 13 33.015 0.166 . 1 . . . . . 272 K CB . 53084 2 40 . 1 . 1 13 13 LYS N N 15 120.638 0.158 . 1 . . . . . 272 K N . 53084 2 41 . 1 . 1 14 14 ASP C C 13 174.793 0.113 . 1 . . . . . 273 D C . 53084 2 42 . 1 . 1 14 14 ASP CA C 13 54.153 0.054 . 1 . . . . . 273 D CA . 53084 2 43 . 1 . 1 14 14 ASP CB C 13 40.546 0.000 . 1 . . . . . 273 D CB . 53084 2 44 . 1 . 1 15 15 THR H H 1 7.750 0.008 . 1 . . . . . 274 T H . 53084 2 45 . 1 . 1 15 15 THR C C 13 172.745 0.012 . 1 . . . . . 274 T C . 53084 2 46 . 1 . 1 15 15 THR CA C 13 59.014 0.102 . 1 . . . . . 274 T CA . 53084 2 47 . 1 . 1 15 15 THR CB C 13 70.583 0.011 . 1 . . . . . 274 T CB . 53084 2 48 . 1 . 1 15 15 THR N N 15 114.283 0.161 . 1 . . . . . 274 T N . 53084 2 49 . 1 . 1 19 19 TYR C C 13 175.674 0.000 . 1 . . . . . 278 Y C . 53084 2 50 . 1 . 1 19 19 TYR CA C 13 58.367 0.110 . 1 . . . . . 278 Y CA . 53084 2 51 . 1 . 1 19 19 TYR CB C 13 39.121 0.000 . 1 . . . . . 278 Y CB . 53084 2 52 . 1 . 1 20 20 CYS H H 1 8.329 0.007 . 1 . . . . . 279 C H . 53084 2 53 . 1 . 1 20 20 CYS C C 13 173.980 0.000 . 1 . . . . . 279 C C . 53084 2 54 . 1 . 1 20 20 CYS CA C 13 56.226 0.122 . 1 . . . . . 279 C CA . 53084 2 55 . 1 . 1 20 20 CYS CB C 13 42.089 0.000 . 1 . . . . . 279 C CB . 53084 2 56 . 1 . 1 20 20 CYS N N 15 119.224 0.148 . 1 . . . . . 279 C N . 53084 2 57 . 1 . 1 29 29 ALA C C 13 177.402 0.000 . 1 . . . . . 288 A C . 53084 2 58 . 1 . 1 29 29 ALA CA C 13 53.686 0.118 . 1 . . . . . 288 A CA . 53084 2 59 . 1 . 1 29 29 ALA CB C 13 19.050 0.000 . 1 . . . . . 288 A CB . 53084 2 60 . 1 . 1 30 30 GLU H H 1 8.003 0.016 . 1 . . . . . 289 E H . 53084 2 61 . 1 . 1 30 30 GLU C C 13 176.228 0.029 . 1 . . . . . 289 E C . 53084 2 62 . 1 . 1 30 30 GLU CA C 13 57.032 0.110 . 1 . . . . . 289 E CA . 53084 2 63 . 1 . 1 30 30 GLU CB C 13 29.037 0.290 . 1 . . . . . 289 E CB . 53084 2 64 . 1 . 1 30 30 GLU N N 15 117.089 0.168 . 1 . . . . . 289 E N . 53084 2 65 . 1 . 1 32 32 LYS C C 13 176.468 0.038 . 1 . . . . . 291 K C . 53084 2 66 . 1 . 1 32 32 LYS CA C 13 56.505 0.047 . 1 . . . . . 291 K CA . 53084 2 67 . 1 . 1 32 32 LYS CB C 13 32.340 0.000 . 1 . . . . . 291 K CB . 53084 2 68 . 1 . 1 33 33 CYS H H 1 8.138 0.021 . 1 . . . . . 292 C H . 53084 2 69 . 1 . 1 33 33 CYS C C 13 174.149 0.057 . 1 . . . . . 292 C C . 53084 2 70 . 1 . 1 33 33 CYS CA C 13 56.187 0.127 . 1 . . . . . 292 C CA . 53084 2 71 . 1 . 1 33 33 CYS CB C 13 42.173 0.119 . 1 . . . . . 292 C CB . 53084 2 72 . 1 . 1 33 33 CYS N N 15 118.616 0.164 . 1 . . . . . 292 C N . 53084 2 73 . 1 . 1 34 34 PHE H H 1 8.153 0.010 . 1 . . . . . 293 F H . 53084 2 74 . 1 . 1 34 34 PHE C C 13 175.709 0.051 . 1 . . . . . 293 F C . 53084 2 75 . 1 . 1 34 34 PHE CA C 13 58.028 0.057 . 1 . . . . . 293 F CA . 53084 2 76 . 1 . 1 34 34 PHE CB C 13 39.878 0.048 . 1 . . . . . 293 F CB . 53084 2 77 . 1 . 1 34 34 PHE N N 15 119.954 0.143 . 1 . . . . . 293 F N . 53084 2 stop_ save_ ################################### # 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_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 53084 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name 'LASV FD Post-Fusion Shifts' _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 HSQC' . . . 53084 3 2 '3D HNCA' . . . 53084 3 3 '3D HNCO' . . . 53084 3 4 '3D HNCACB' . . . 53084 3 5 '3D HN(CA)CO' . . . 53084 3 6 '3D HN(CO)CA' . . . 53084 3 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 . . 53084 3 2 $software_2 . . 53084 3 3 $software_3 . . 53084 3 4 $software_4 . . 53084 3 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 2 2 THR C C 13 174.105 0.039 . 1 . . . . . 261 T C . 53084 3 2 . 1 . 1 2 2 THR CA C 13 63.000 0.065 . 1 . . . . . 261 T CA . 53084 3 3 . 1 . 1 2 2 THR CB C 13 69.732 0.097 . 1 . . . . . 261 T CB . 53084 3 4 . 1 . 1 3 3 PHE H H 1 8.433 0.008 . 1 . . . . . 262 F H . 53084 3 5 . 1 . 1 3 3 PHE C C 13 175.208 0.062 . 1 . . . . . 262 F C . 53084 3 6 . 1 . 1 3 3 PHE CA C 13 57.928 0.102 . 1 . . . . . 262 F CA . 53084 3 7 . 1 . 1 3 3 PHE CB C 13 39.541 0.160 . 1 . . . . . 262 F CB . 53084 3 8 . 1 . 1 3 3 PHE N N 15 121.269 0.159 . 1 . . . . . 262 F N . 53084 3 9 . 1 . 1 4 4 THR H H 1 7.938 0.015 . 1 . . . . . 263 T H . 53084 3 10 . 1 . 1 4 4 THR C C 13 173.686 0.023 . 1 . . . . . 263 T C . 53084 3 11 . 1 . 1 4 4 THR CA C 13 61.834 0.048 . 1 . . . . . 263 T CA . 53084 3 12 . 1 . 1 4 4 THR CB C 13 70.089 0.294 . 1 . . . . . 263 T CB . 53084 3 13 . 1 . 1 4 4 THR N N 15 115.772 0.096 . 1 . . . . . 263 T N . 53084 3 14 . 1 . 1 5 5 TRP H H 1 8.279 0.008 . 1 . . . . . 264 W H . 53084 3 15 . 1 . 1 5 5 TRP C C 13 175.416 0.065 . 1 . . . . . 264 W C . 53084 3 16 . 1 . 1 5 5 TRP CA C 13 53.041 0.128 . 1 . . . . . 264 W CA . 53084 3 17 . 1 . 1 5 5 TRP CB C 13 40.545 0.418 . 1 . . . . . 264 W CB . 53084 3 18 . 1 . 1 5 5 TRP N N 15 121.332 0.150 . 1 . . . . . 264 W N . 53084 3 19 . 1 . 1 6 6 THR H H 1 8.028 0.010 . 1 . . . . . 265 T H . 53084 3 20 . 1 . 1 6 6 THR C C 13 174.435 0.130 . 1 . . . . . 265 T C . 53084 3 21 . 1 . 1 6 6 THR CA C 13 62.252 0.075 . 1 . . . . . 265 T CA . 53084 3 22 . 1 . 1 6 6 THR CB C 13 69.904 0.081 . 1 . . . . . 265 T CB . 53084 3 23 . 1 . 1 6 6 THR N N 15 113.913 0.164 . 1 . . . . . 265 T N . 53084 3 24 . 1 . 1 7 7 LEU H H 1 8.197 0.008 . 1 . . . . . 266 L H . 53084 3 25 . 1 . 1 7 7 LEU C C 13 177.347 0.014 . 1 . . . . . 266 L C . 53084 3 26 . 1 . 1 7 7 LEU CA C 13 55.657 0.069 . 1 . . . . . 266 L CA . 53084 3 27 . 1 . 1 7 7 LEU CB C 13 42.088 0.282 . 1 . . . . . 266 L CB . 53084 3 28 . 1 . 1 7 7 LEU N N 15 124.007 0.090 . 1 . . . . . 266 L N . 53084 3 stop_ save_ ################################### # 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_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4 _Assigned_chem_shift_list.Entry_ID 53084 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Name 'LASV FD Post-Fusion Shifts' _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 HSQC' . . . 53084 4 2 '3D HNCA' . . . 53084 4 3 '3D HNCO' . . . 53084 4 4 '3D HNCACB' . . . 53084 4 5 '3D HN(CA)CO' . . . 53084 4 6 '3D HN(CO)CA' . . . 53084 4 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 . . 53084 4 2 $software_2 . . 53084 4 3 $software_3 . . 53084 4 4 $software_4 . . 53084 4 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 2 2 THR C C 13 174.024 0.022 . 1 . . . . . 261 T C . 53084 4 2 . 1 . 1 2 2 THR CA C 13 62.785 0.116 . 1 . . . . . 261 T CA . 53084 4 3 . 1 . 1 2 2 THR CB C 13 69.934 0.092 . 1 . . . . . 261 T CB . 53084 4 4 . 1 . 1 3 3 PHE H H 1 8.383 0.015 . 1 . . . . . 262 F H . 53084 4 5 . 1 . 1 3 3 PHE C C 13 174.947 0.092 . 1 . . . . . 262 F C . 53084 4 6 . 1 . 1 3 3 PHE CA C 13 57.938 0.048 . 1 . . . . . 262 F CA . 53084 4 7 . 1 . 1 3 3 PHE CB C 13 39.616 0.048 . 1 . . . . . 262 F CB . 53084 4 8 . 1 . 1 3 3 PHE N N 15 121.581 0.140 . 1 . . . . . 262 F N . 53084 4 9 . 1 . 1 4 4 THR C C 13 173.855 0.039 . 1 . . . . . 263 T C . 53084 4 10 . 1 . 1 4 4 THR CA C 13 61.943 0.057 . 1 . . . . . 263 T CA . 53084 4 11 . 1 . 1 4 4 THR CB C 13 70.352 0.000 . 1 . . . . . 263 T CB . 53084 4 12 . 1 . 1 5 5 TRP H H 1 8.330 0.010 . 1 . . . . . 264 W H . 53084 4 13 . 1 . 1 5 5 TRP C C 13 175.132 0.000 . 1 . . . . . 264 W C . 53084 4 14 . 1 . 1 5 5 TRP CA C 13 53.105 0.171 . 1 . . . . . 264 W CA . 53084 4 15 . 1 . 1 5 5 TRP CB C 13 40.376 0.000 . 1 . . . . . 264 W CB . 53084 4 16 . 1 . 1 5 5 TRP N N 15 121.103 0.217 . 1 . . . . . 264 W N . 53084 4 17 . 1 . 1 6 6 THR C C 13 174.316 0.050 . 1 . . . . . 265 T C . 53084 4 18 . 1 . 1 6 6 THR CA C 13 62.160 0.043 . 1 . . . . . 265 T CA . 53084 4 19 . 1 . 1 6 6 THR CB C 13 69.897 0.020 . 1 . . . . . 265 T CB . 53084 4 20 . 1 . 1 7 7 LEU H H 1 8.069 0.013 . 1 . . . . . 266 L H . 53084 4 21 . 1 . 1 7 7 LEU C C 13 177.292 0.048 . 1 . . . . . 266 L C . 53084 4 22 . 1 . 1 7 7 LEU CA C 13 55.641 0.060 . 1 . . . . . 266 L CA . 53084 4 23 . 1 . 1 7 7 LEU CB C 13 42.049 0.329 . 1 . . . . . 266 L CB . 53084 4 24 . 1 . 1 7 7 LEU N N 15 123.347 0.094 . 1 . . . . . 266 L N . 53084 4 stop_ save_