################################### # 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 53085 _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' . . . 53085 1 2 '3D HNCA' . . . 53085 1 3 '3D HNCO' . . . 53085 1 4 '3D HNCACB' . . . 53085 1 5 '3D HN(CA)CO' . . . 53085 1 6 '3D HN(CO)CA' . . . 53085 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 . . 53085 1 2 $software_2 . . 53085 1 3 $software_3 . . 53085 1 4 $software_4 . . 53085 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 2 2 THR C C 13 174.065 0.038 . 1 . . . . . 261 T C . 53085 1 2 . 1 . 1 2 2 THR CA C 13 62.056 0.077 . 1 . . . . . 261 T CA . 53085 1 3 . 1 . 1 2 2 THR CB C 13 69.857 0.035 . 1 . . . . . 261 T CB . 53085 1 4 . 1 . 1 3 3 PHE H H 1 8.404 0.020 . 1 . . . . . 262 F H . 53085 1 5 . 1 . 1 3 3 PHE C C 13 175.126 0.271 . 1 . . . . . 262 F C . 53085 1 6 . 1 . 1 3 3 PHE CA C 13 57.811 0.133 . 1 . . . . . 262 F CA . 53085 1 7 . 1 . 1 3 3 PHE CB C 13 39.771 0.215 . 1 . . . . . 262 F CB . 53085 1 8 . 1 . 1 3 3 PHE N N 15 122.835 0.126 . 1 . . . . . 262 F N . 53085 1 9 . 1 . 1 4 4 THR H H 1 7.954 0.009 . 1 . . . . . 263 T H . 53085 1 10 . 1 . 1 4 4 THR C C 13 172.481 0.010 . 1 . . . . . 263 T C . 53085 1 11 . 1 . 1 4 4 THR CA C 13 60.974 0.481 . 1 . . . . . 263 T CA . 53085 1 12 . 1 . 1 4 4 THR CB C 13 69.947 0.160 . 1 . . . . . 263 T CB . 53085 1 13 . 1 . 1 4 4 THR N N 15 115.612 0.107 . 1 . . . . . 263 T N . 53085 1 14 . 1 . 1 5 5 TRP H H 1 8.082 0.009 . 1 . . . . . 264 W H . 53085 1 15 . 1 . 1 5 5 TRP C C 13 175.324 0.032 . 1 . . . . . 264 W C . 53085 1 16 . 1 . 1 5 5 TRP CA C 13 52.399 0.087 . 1 . . . . . 264 W CA . 53085 1 17 . 1 . 1 5 5 TRP CB C 13 40.291 0.161 . 1 . . . . . 264 W CB . 53085 1 18 . 1 . 1 5 5 TRP N N 15 122.936 0.058 . 1 . . . . . 264 W N . 53085 1 19 . 1 . 1 6 6 THR H H 1 8.190 0.007 . 1 . . . . . 265 T H . 53085 1 20 . 1 . 1 6 6 THR C C 13 174.514 0.018 . 1 . . . . . 265 T C . 53085 1 21 . 1 . 1 6 6 THR CA C 13 61.851 0.096 . 1 . . . . . 265 T CA . 53085 1 22 . 1 . 1 6 6 THR CB C 13 69.816 0.030 . 1 . . . . . 265 T CB . 53085 1 23 . 1 . 1 6 6 THR N N 15 115.432 0.052 . 1 . . . . . 265 T N . 53085 1 24 . 1 . 1 7 7 LEU H H 1 8.354 0.010 . 1 . . . . . 266 L H . 53085 1 25 . 1 . 1 7 7 LEU C C 13 177.553 0.015 . 1 . . . . . 266 L C . 53085 1 26 . 1 . 1 7 7 LEU CA C 13 55.412 0.105 . 1 . . . . . 266 L CA . 53085 1 27 . 1 . 1 7 7 LEU CB C 13 41.935 0.320 . 1 . . . . . 266 L CB . 53085 1 28 . 1 . 1 7 7 LEU N N 15 124.760 0.049 . 1 . . . . . 266 L N . 53085 1 29 . 1 . 1 8 8 SER H H 1 8.312 0.015 . 1 . . . . . 267 S H . 53085 1 30 . 1 . 1 8 8 SER C C 13 174.482 0.020 . 1 . . . . . 267 S C . 53085 1 31 . 1 . 1 8 8 SER CA C 13 58.431 0.090 . 1 . . . . . 267 S CA . 53085 1 32 . 1 . 1 8 8 SER CB C 13 63.929 0.058 . 1 . . . . . 267 S CB . 53085 1 33 . 1 . 1 8 8 SER N N 15 116.533 0.075 . 1 . . . . . 267 S N . 53085 1 34 . 1 . 1 9 9 ASP H H 1 8.378 0.014 . 1 . . . . . 268 D H . 53085 1 35 . 1 . 1 9 9 ASP C C 13 176.614 0.007 . 1 . . . . . 268 D C . 53085 1 36 . 1 . 1 9 9 ASP CA C 13 54.588 0.041 . 1 . . . . . 268 D CA . 53085 1 37 . 1 . 1 9 9 ASP CB C 13 41.090 0.011 . 1 . . . . . 268 D CB . 53085 1 38 . 1 . 1 9 9 ASP N N 15 122.581 0.050 . 1 . . . . . 268 D N . 53085 1 39 . 1 . 1 10 10 SER H H 1 8.242 0.016 . 1 . . . . . 269 S H . 53085 1 40 . 1 . 1 10 10 SER C C 13 174.830 0.024 . 1 . . . . . 269 S C . 53085 1 41 . 1 . 1 10 10 SER CA C 13 58.913 0.133 . 1 . . . . . 269 S CA . 53085 1 42 . 1 . 1 10 10 SER CB C 13 63.893 0.051 . 1 . . . . . 269 S CB . 53085 1 43 . 1 . 1 10 10 SER N N 15 115.572 0.061 . 1 . . . . . 269 S N . 53085 1 44 . 1 . 1 11 11 GLU H H 1 8.313 0.013 . 1 . . . . . 270 E H . 53085 1 45 . 1 . 1 11 11 GLU C C 13 177.043 0.001 . 1 . . . . . 270 E C . 53085 1 46 . 1 . 1 11 11 GLU CA C 13 56.916 0.066 . 1 . . . . . 270 E CA . 53085 1 47 . 1 . 1 11 11 GLU CB C 13 29.925 0.177 . 1 . . . . . 270 E CB . 53085 1 48 . 1 . 1 11 11 GLU N N 15 122.284 0.113 . 1 . . . . . 270 E N . 53085 1 49 . 1 . 1 12 12 GLY H H 1 8.393 0.011 . 1 . . . . . 271 G H . 53085 1 50 . 1 . 1 12 12 GLY C C 13 174.377 0.017 . 1 . . . . . 271 G C . 53085 1 51 . 1 . 1 12 12 GLY CA C 13 45.613 0.058 . 1 . . . . . 271 G CA . 53085 1 52 . 1 . 1 12 12 GLY N N 15 109.740 0.047 . 1 . . . . . 271 G N . 53085 1 53 . 1 . 1 13 13 LYS H H 1 8.111 0.010 . 1 . . . . . 272 K H . 53085 1 54 . 1 . 1 13 13 LYS C C 13 176.327 0.018 . 1 . . . . . 272 K C . 53085 1 55 . 1 . 1 13 13 LYS CA C 13 56.240 0.030 . 1 . . . . . 272 K CA . 53085 1 56 . 1 . 1 13 13 LYS CB C 13 32.825 0.221 . 1 . . . . . 272 K CB . 53085 1 57 . 1 . 1 13 13 LYS N N 15 120.460 0.027 . 1 . . . . . 272 K N . 53085 1 58 . 1 . 1 14 14 ASP H H 1 8.437 0.009 . 1 . . . . . 273 D H . 53085 1 59 . 1 . 1 14 14 ASP C C 13 175.892 0.023 . 1 . . . . . 273 D C . 53085 1 60 . 1 . 1 14 14 ASP CA C 13 54.339 0.060 . 1 . . . . . 273 D CA . 53085 1 61 . 1 . 1 14 14 ASP CB C 13 41.035 0.026 . 1 . . . . . 273 D CB . 53085 1 62 . 1 . 1 14 14 ASP N N 15 120.722 0.027 . 1 . . . . . 273 D N . 53085 1 63 . 1 . 1 15 15 THR H H 1 8.040 0.009 . 1 . . . . . 274 T H . 53085 1 64 . 1 . 1 15 15 THR C C 13 172.950 0.000 . 1 . . . . . 274 T C . 53085 1 65 . 1 . 1 15 15 THR CA C 13 59.777 0.053 . 1 . . . . . 274 T CA . 53085 1 66 . 1 . 1 15 15 THR CB C 13 69.787 0.028 . 1 . . . . . 274 T CB . 53085 1 67 . 1 . 1 15 15 THR CG2 C 13 21.906 0.000 . 1 . . . . . 274 T CG2 . 53085 1 68 . 1 . 1 15 15 THR N N 15 116.254 0.039 . 1 . . . . . 274 T N . 53085 1 69 . 1 . 1 16 16 PRO C C 13 177.575 0.003 . 1 . . . . . 275 P C . 53085 1 70 . 1 . 1 16 16 PRO CA C 13 63.678 0.095 . 1 . . . . . 275 P CA . 53085 1 71 . 1 . 1 16 16 PRO CB C 13 31.855 0.180 . 1 . . . . . 275 P CB . 53085 1 72 . 1 . 1 17 17 GLY H H 1 8.486 0.014 . 1 . . . . . 276 G H . 53085 1 73 . 1 . 1 17 17 GLY C C 13 174.589 0.037 . 1 . . . . . 276 G C . 53085 1 74 . 1 . 1 17 17 GLY CA C 13 45.338 0.032 . 1 . . . . . 276 G CA . 53085 1 75 . 1 . 1 17 17 GLY N N 15 109.342 0.079 . 1 . . . . . 276 G N . 53085 1 76 . 1 . 1 18 18 GLY H H 1 8.192 0.011 . 1 . . . . . 277 G H . 53085 1 77 . 1 . 1 18 18 GLY C C 13 174.063 0.050 . 1 . . . . . 277 G C . 53085 1 78 . 1 . 1 18 18 GLY CA C 13 45.326 0.035 . 1 . . . . . 277 G CA . 53085 1 79 . 1 . 1 18 18 GLY N N 15 108.658 0.048 . 1 . . . . . 277 G N . 53085 1 80 . 1 . 1 19 19 TYR H H 1 8.088 0.008 . 1 . . . . . 278 Y H . 53085 1 81 . 1 . 1 19 19 TYR C C 13 175.885 0.069 . 1 . . . . . 278 Y C . 53085 1 82 . 1 . 1 19 19 TYR CA C 13 58.293 0.103 . 1 . . . . . 278 Y CA . 53085 1 83 . 1 . 1 19 19 TYR CB C 13 38.825 0.107 . 1 . . . . . 278 Y CB . 53085 1 84 . 1 . 1 19 19 TYR N N 15 119.968 0.078 . 1 . . . . . 278 Y N . 53085 1 85 . 1 . 1 20 20 CYS H H 1 8.477 0.009 . 1 . . . . . 279 C H . 53085 1 86 . 1 . 1 20 20 CYS C C 13 174.486 0.008 . 1 . . . . . 279 C C . 53085 1 87 . 1 . 1 20 20 CYS CA C 13 56.086 0.076 . 1 . . . . . 279 C CA . 53085 1 88 . 1 . 1 20 20 CYS CB C 13 41.134 0.140 . 1 . . . . . 279 C CB . 53085 1 89 . 1 . 1 20 20 CYS N N 15 119.500 0.069 . 1 . . . . . 279 C N . 53085 1 90 . 1 . 1 21 21 LEU H H 1 8.254 0.023 . 1 . . . . . 280 L H . 53085 1 91 . 1 . 1 21 21 LEU C C 13 177.621 0.110 . 1 . . . . . 280 L C . 53085 1 92 . 1 . 1 21 21 LEU CA C 13 55.811 0.188 . 1 . . . . . 280 L CA . 53085 1 93 . 1 . 1 21 21 LEU CB C 13 42.005 0.312 . 1 . . . . . 280 L CB . 53085 1 94 . 1 . 1 21 21 LEU N N 15 122.480 0.186 . 1 . . . . . 280 L N . 53085 1 95 . 1 . 1 22 22 THR H H 1 7.903 0.011 . 1 . . . . . 281 T H . 53085 1 96 . 1 . 1 22 22 THR C C 13 173.560 0.000 . 1 . . . . . 281 T C . 53085 1 97 . 1 . 1 22 22 THR CA C 13 61.688 0.088 . 1 . . . . . 281 T CA . 53085 1 98 . 1 . 1 22 22 THR CB C 13 69.667 0.040 . 1 . . . . . 281 T CB . 53085 1 99 . 1 . 1 22 22 THR N N 15 112.061 0.078 . 1 . . . . . 281 T N . 53085 1 100 . 1 . 1 23 23 ARG H H 1 8.104 0.022 . 1 . . . . . 282 R H . 53085 1 101 . 1 . 1 23 23 ARG C C 13 177.274 0.005 . 1 . . . . . 282 R C . 53085 1 102 . 1 . 1 23 23 ARG CA C 13 57.585 0.219 . 1 . . . . . 282 R CA . 53085 1 103 . 1 . 1 23 23 ARG CB C 13 30.601 0.285 . 1 . . . . . 282 R CB . 53085 1 104 . 1 . 1 23 23 ARG N N 15 123.785 0.081 . 1 . . . . . 282 R N . 53085 1 105 . 1 . 1 24 24 TRP H H 1 8.252 0.011 . 1 . . . . . 283 W H . 53085 1 106 . 1 . 1 24 24 TRP C C 13 173.760 0.123 . 1 . . . . . 283 W C . 53085 1 107 . 1 . 1 24 24 TRP CA C 13 58.418 0.134 . 1 . . . . . 283 W CA . 53085 1 108 . 1 . 1 24 24 TRP CB C 13 28.590 0.197 . 1 . . . . . 283 W CB . 53085 1 109 . 1 . 1 24 24 TRP N N 15 121.621 0.104 . 1 . . . . . 283 W N . 53085 1 110 . 1 . 1 25 25 MET H H 1 8.380 0.011 . 1 . . . . . 284 M H . 53085 1 111 . 1 . 1 25 25 MET C C 13 176.221 0.038 . 1 . . . . . 284 M C . 53085 1 112 . 1 . 1 25 25 MET CA C 13 56.964 0.204 . 1 . . . . . 284 M CA . 53085 1 113 . 1 . 1 25 25 MET CB C 13 29.835 0.194 . 1 . . . . . 284 M CB . 53085 1 114 . 1 . 1 25 25 MET N N 15 123.574 0.136 . 1 . . . . . 284 M N . 53085 1 115 . 1 . 1 26 26 LEU H H 1 8.045 0.010 . 1 . . . . . 285 L H . 53085 1 116 . 1 . 1 26 26 LEU C C 13 176.960 0.119 . 1 . . . . . 285 L C . 53085 1 117 . 1 . 1 26 26 LEU CA C 13 55.289 0.138 . 1 . . . . . 285 L CA . 53085 1 118 . 1 . 1 26 26 LEU CB C 13 42.016 0.264 . 1 . . . . . 285 L CB . 53085 1 119 . 1 . 1 26 26 LEU N N 15 122.054 0.087 . 1 . . . . . 285 L N . 53085 1 120 . 1 . 1 27 27 ILE H H 1 8.144 0.019 . 1 . . . . . 286 I H . 53085 1 121 . 1 . 1 27 27 ILE C C 13 176.119 0.086 . 1 . . . . . 286 I C . 53085 1 122 . 1 . 1 27 27 ILE CA C 13 61.061 0.151 . 1 . . . . . 286 I CA . 53085 1 123 . 1 . 1 27 27 ILE CB C 13 38.676 0.359 . 1 . . . . . 286 I CB . 53085 1 124 . 1 . 1 27 27 ILE N N 15 122.320 0.071 . 1 . . . . . 286 I N . 53085 1 125 . 1 . 1 28 28 GLU H H 1 8.508 0.013 . 1 . . . . . 287 E H . 53085 1 126 . 1 . 1 28 28 GLU C C 13 176.246 0.056 . 1 . . . . . 287 E C . 53085 1 127 . 1 . 1 28 28 GLU CA C 13 57.381 0.131 . 1 . . . . . 287 E CA . 53085 1 128 . 1 . 1 28 28 GLU CB C 13 29.494 0.221 . 1 . . . . . 287 E CB . 53085 1 129 . 1 . 1 28 28 GLU N N 15 124.026 0.074 . 1 . . . . . 287 E N . 53085 1 130 . 1 . 1 29 29 ALA H H 1 8.200 0.013 . 1 . . . . . 288 A H . 53085 1 131 . 1 . 1 29 29 ALA C C 13 177.398 0.018 . 1 . . . . . 288 A C . 53085 1 132 . 1 . 1 29 29 ALA CA C 13 52.987 0.014 . 1 . . . . . 288 A CA . 53085 1 133 . 1 . 1 29 29 ALA CB C 13 19.093 0.166 . 1 . . . . . 288 A CB . 53085 1 134 . 1 . 1 29 29 ALA N N 15 122.695 0.080 . 1 . . . . . 288 A N . 53085 1 135 . 1 . 1 30 30 GLU H H 1 8.187 0.010 . 1 . . . . . 289 E H . 53085 1 136 . 1 . 1 30 30 GLU C C 13 176.225 0.004 . 1 . . . . . 289 E C . 53085 1 137 . 1 . 1 30 30 GLU CA C 13 56.673 0.114 . 1 . . . . . 289 E CA . 53085 1 138 . 1 . 1 30 30 GLU CB C 13 30.124 0.116 . 1 . . . . . 289 E CB . 53085 1 139 . 1 . 1 30 30 GLU N N 15 118.805 0.055 . 1 . . . . . 289 E N . 53085 1 140 . 1 . 1 31 31 LEU H H 1 8.119 0.009 . 1 . . . . . 290 L H . 53085 1 141 . 1 . 1 31 31 LEU C C 13 177.170 0.027 . 1 . . . . . 290 L C . 53085 1 142 . 1 . 1 31 31 LEU CA C 13 55.426 0.046 . 1 . . . . . 290 L CA . 53085 1 143 . 1 . 1 31 31 LEU CB C 13 41.951 0.293 . 1 . . . . . 290 L CB . 53085 1 144 . 1 . 1 31 31 LEU N N 15 122.967 0.077 . 1 . . . . . 290 L N . 53085 1 145 . 1 . 1 32 32 LYS H H 1 8.350 0.013 . 1 . . . . . 291 K H . 53085 1 146 . 1 . 1 32 32 LYS C C 13 176.119 0.047 . 1 . . . . . 291 K C . 53085 1 147 . 1 . 1 32 32 LYS CA C 13 56.096 0.100 . 1 . . . . . 291 K CA . 53085 1 148 . 1 . 1 32 32 LYS CB C 13 33.038 0.250 . 1 . . . . . 291 K CB . 53085 1 149 . 1 . 1 32 32 LYS N N 15 121.576 0.081 . 1 . . . . . 291 K N . 53085 1 150 . 1 . 1 33 33 CYS H H 1 8.299 0.009 . 1 . . . . . 292 C H . 53085 1 151 . 1 . 1 33 33 CYS C C 13 174.151 0.020 . 1 . . . . . 292 C C . 53085 1 152 . 1 . 1 33 33 CYS CA C 13 55.328 0.139 . 1 . . . . . 292 C CA . 53085 1 153 . 1 . 1 33 33 CYS CB C 13 41.281 0.144 . 1 . . . . . 292 C CB . 53085 1 154 . 1 . 1 33 33 CYS N N 15 119.591 0.077 . 1 . . . . . 292 C N . 53085 1 155 . 1 . 1 34 34 PHE H H 1 8.378 0.028 . 1 . . . . . 293 F H . 53085 1 156 . 1 . 1 34 34 PHE C C 13 175.785 0.030 . 1 . . . . . 293 F C . 53085 1 157 . 1 . 1 34 34 PHE CA C 13 57.909 0.043 . 1 . . . . . 293 F CA . 53085 1 158 . 1 . 1 34 34 PHE CB C 13 39.790 0.086 . 1 . . . . . 293 F CB . 53085 1 159 . 1 . 1 34 34 PHE N N 15 121.824 0.102 . 1 . . . . . 293 F N . 53085 1 160 . 1 . 1 35 35 GLY H H 1 8.317 0.010 . 1 . . . . . 294 G H . 53085 1 161 . 1 . 1 35 35 GLY C C 13 172.919 0.015 . 1 . . . . . 294 G C . 53085 1 162 . 1 . 1 35 35 GLY CA C 13 45.265 0.004 . 1 . . . . . 294 G CA . 53085 1 163 . 1 . 1 35 35 GLY N N 15 110.859 0.052 . 1 . . . . . 294 G N . 53085 1 164 . 1 . 1 36 36 ASN H H 1 7.904 0.009 . 1 . . . . . 295 N H . 53085 1 165 . 1 . 1 36 36 ASN C C 13 179.531 0.000 . 1 . . . . . 295 N C . 53085 1 166 . 1 . 1 36 36 ASN CA C 13 54.650 0.035 . 1 . . . . . 295 N CA . 53085 1 167 . 1 . 1 36 36 ASN CB C 13 40.334 0.081 . 1 . . . . . 295 N CB . 53085 1 168 . 1 . 1 36 36 ASN N N 15 123.915 0.022 . 1 . . . . . 295 N N . 53085 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 53085 _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' . . . 53085 2 2 '3D HNCA' . . . 53085 2 3 '3D HNCO' . . . 53085 2 4 '3D HNCACB' . . . 53085 2 5 '3D HN(CA)CO' . . . 53085 2 6 '3D HN(CO)CA' . . . 53085 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 . . 53085 2 2 $software_2 . . 53085 2 3 $software_3 . . 53085 2 4 $software_4 . . 53085 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 3 3 PHE H H 1 8.533 0.012 . 1 . . . . . 262 F H . 53085 2 2 . 1 . 1 3 3 PHE C C 13 175.142 0.122 . 1 . . . . . 262 F C . 53085 2 3 . 1 . 1 3 3 PHE CA C 13 57.831 0.120 . 1 . . . . . 262 F CA . 53085 2 4 . 1 . 1 3 3 PHE CB C 13 39.739 0.149 . 1 . . . . . 262 F CB . 53085 2 5 . 1 . 1 3 3 PHE N N 15 123.961 0.105 . 1 . . . . . 262 F N . 53085 2 6 . 1 . 1 4 4 THR H H 1 7.741 0.009 . 1 . . . . . 263 T H . 53085 2 7 . 1 . 1 4 4 THR C C 13 172.501 0.000 . 1 . . . . . 263 T C . 53085 2 8 . 1 . 1 4 4 THR CA C 13 61.121 0.556 . 1 . . . . . 263 T CA . 53085 2 9 . 1 . 1 4 4 THR CB C 13 69.987 0.116 . 1 . . . . . 263 T CB . 53085 2 10 . 1 . 1 4 4 THR N N 15 115.153 0.049 . 1 . . . . . 263 T N . 53085 2 11 . 1 . 1 5 5 TRP H H 1 8.376 0.015 . 1 . . . . . 264 W H . 53085 2 12 . 1 . 1 5 5 TRP C C 13 175.476 0.190 . 1 . . . . . 264 W C . 53085 2 13 . 1 . 1 5 5 TRP CA C 13 52.693 0.111 . 1 . . . . . 264 W CA . 53085 2 14 . 1 . 1 5 5 TRP CB C 13 40.120 0.000 . 1 . . . . . 264 W CB . 53085 2 15 . 1 . 1 5 5 TRP N N 15 122.382 0.108 . 1 . . . . . 264 W N . 53085 2 16 . 1 . 1 6 6 THR H H 1 8.256 0.010 . 1 . . . . . 265 T H . 53085 2 17 . 1 . 1 6 6 THR C C 13 174.173 0.299 . 1 . . . . . 265 T C . 53085 2 18 . 1 . 1 6 6 THR CA C 13 61.696 0.299 . 1 . . . . . 265 T CA . 53085 2 19 . 1 . 1 6 6 THR CB C 13 69.762 0.023 . 1 . . . . . 265 T CB . 53085 2 20 . 1 . 1 6 6 THR N N 15 114.963 0.060 . 1 . . . . . 265 T N . 53085 2 21 . 1 . 1 7 7 LEU H H 1 8.123 0.012 . 1 . . . . . 266 L H . 53085 2 22 . 1 . 1 7 7 LEU C C 13 177.429 0.087 . 1 . . . . . 266 L C . 53085 2 23 . 1 . 1 7 7 LEU CA C 13 55.323 0.151 . 1 . . . . . 266 L CA . 53085 2 24 . 1 . 1 7 7 LEU CB C 13 41.986 0.314 . 1 . . . . . 266 L CB . 53085 2 25 . 1 . 1 7 7 LEU N N 15 124.485 0.045 . 1 . . . . . 266 L N . 53085 2 26 . 1 . 1 8 8 SER H H 1 8.239 0.012 . 1 . . . . . 267 S H . 53085 2 27 . 1 . 1 8 8 SER C C 13 174.570 0.060 . 1 . . . . . 267 S C . 53085 2 28 . 1 . 1 8 8 SER CA C 13 58.703 0.152 . 1 . . . . . 267 S CA . 53085 2 29 . 1 . 1 8 8 SER CB C 13 63.826 0.066 . 1 . . . . . 267 S CB . 53085 2 30 . 1 . 1 8 8 SER N N 15 116.281 0.147 . 1 . . . . . 267 S N . 53085 2 31 . 1 . 1 9 9 ASP H H 1 8.248 0.014 . 1 . . . . . 268 D H . 53085 2 32 . 1 . 1 9 9 ASP C C 13 176.635 0.000 . 1 . . . . . 268 D C . 53085 2 33 . 1 . 1 9 9 ASP CA C 13 54.705 0.048 . 1 . . . . . 268 D CA . 53085 2 34 . 1 . 1 9 9 ASP CB C 13 41.035 0.011 . 1 . . . . . 268 D CB . 53085 2 35 . 1 . 1 9 9 ASP N N 15 122.301 0.067 . 1 . . . . . 268 D N . 53085 2 36 . 1 . 1 12 12 GLY C C 13 174.223 0.054 . 1 . . . . . 271 G C . 53085 2 37 . 1 . 1 12 12 GLY CA C 13 45.680 0.060 . 1 . . . . . 271 G CA . 53085 2 38 . 1 . 1 13 13 LYS H H 1 8.220 0.016 . 1 . . . . . 272 K H . 53085 2 39 . 1 . 1 13 13 LYS C C 13 176.246 0.000 . 1 . . . . . 272 K C . 53085 2 40 . 1 . 1 13 13 LYS CA C 13 56.164 0.104 . 1 . . . . . 272 K CA . 53085 2 41 . 1 . 1 13 13 LYS CB C 13 33.147 0.000 . 1 . . . . . 272 K CB . 53085 2 42 . 1 . 1 13 13 LYS N N 15 120.756 0.155 . 1 . . . . . 272 K N . 53085 2 43 . 1 . 1 14 14 ASP C C 13 175.190 0.003 . 1 . . . . . 273 D C . 53085 2 44 . 1 . 1 14 14 ASP CA C 13 54.425 0.040 . 1 . . . . . 273 D CA . 53085 2 45 . 1 . 1 14 14 ASP CB C 13 41.061 0.009 . 1 . . . . . 273 D CB . 53085 2 46 . 1 . 1 15 15 THR H H 1 7.873 0.009 . 1 . . . . . 274 T H . 53085 2 47 . 1 . 1 15 15 THR C C 13 172.709 0.000 . 1 . . . . . 274 T C . 53085 2 48 . 1 . 1 15 15 THR CA C 13 58.720 0.074 . 1 . . . . . 274 T CA . 53085 2 49 . 1 . 1 15 15 THR CB C 13 70.501 0.034 . 1 . . . . . 274 T CB . 53085 2 50 . 1 . 1 15 15 THR N N 15 114.629 0.060 . 1 . . . . . 274 T N . 53085 2 51 . 1 . 1 18 18 GLY C C 13 174.327 0.002 . 1 . . . . . 277 G C . 53085 2 52 . 1 . 1 18 18 GLY CA C 13 45.459 0.048 . 1 . . . . . 277 G CA . 53085 2 53 . 1 . 1 19 19 TYR H H 1 8.158 0.015 . 1 . . . . . 278 Y H . 53085 2 54 . 1 . 1 19 19 TYR C C 13 175.819 0.062 . 1 . . . . . 278 Y C . 53085 2 55 . 1 . 1 19 19 TYR CA C 13 58.448 0.189 . 1 . . . . . 278 Y CA . 53085 2 56 . 1 . 1 19 19 TYR CB C 13 38.778 0.091 . 1 . . . . . 278 Y CB . 53085 2 57 . 1 . 1 19 19 TYR N N 15 120.387 0.087 . 1 . . . . . 278 Y N . 53085 2 58 . 1 . 1 20 20 CYS H H 1 8.428 0.012 . 1 . . . . . 279 C H . 53085 2 59 . 1 . 1 20 20 CYS C C 13 174.500 0.000 . 1 . . . . . 279 C C . 53085 2 60 . 1 . 1 20 20 CYS CA C 13 55.829 0.084 . 1 . . . . . 279 C CA . 53085 2 61 . 1 . 1 20 20 CYS CB C 13 41.199 0.000 . 1 . . . . . 279 C CB . 53085 2 62 . 1 . 1 20 20 CYS N N 15 119.591 0.155 . 1 . . . . . 279 C N . 53085 2 63 . 1 . 1 25 25 MET C C 13 176.360 0.062 . 1 . . . . . 284 M C . 53085 2 64 . 1 . 1 25 25 MET CA C 13 56.785 0.125 . 1 . . . . . 284 M CA . 53085 2 65 . 1 . 1 25 25 MET CB C 13 30.099 0.000 . 1 . . . . . 284 M CB . 53085 2 66 . 1 . 1 26 26 LEU H H 1 8.075 0.010 . 1 . . . . . 285 L H . 53085 2 67 . 1 . 1 26 26 LEU CA C 13 55.526 0.141 . 1 . . . . . 285 L CA . 53085 2 68 . 1 . 1 26 26 LEU CB C 13 42.041 0.327 . 1 . . . . . 285 L CB . 53085 2 69 . 1 . 1 26 26 LEU N N 15 122.292 0.120 . 1 . . . . . 285 L N . 53085 2 70 . 1 . 1 27 27 ILE H H 1 8.031 0.013 . 1 . . . . . 286 I H . 53085 2 71 . 1 . 1 27 27 ILE C C 13 176.200 0.027 . 1 . . . . . 286 I C . 53085 2 72 . 1 . 1 27 27 ILE CA C 13 60.996 0.122 . 1 . . . . . 286 I CA . 53085 2 73 . 1 . 1 27 27 ILE CB C 13 38.196 0.697 . 1 . . . . . 286 I CB . 53085 2 74 . 1 . 1 27 27 ILE N N 15 121.597 0.143 . 1 . . . . . 286 I N . 53085 2 75 . 1 . 1 28 28 GLU H H 1 8.532 0.016 . 1 . . . . . 287 E H . 53085 2 76 . 1 . 1 28 28 GLU C C 13 176.387 0.082 . 1 . . . . . 287 E C . 53085 2 77 . 1 . 1 28 28 GLU CA C 13 56.960 0.043 . 1 . . . . . 287 E CA . 53085 2 78 . 1 . 1 28 28 GLU CB C 13 29.960 0.203 . 1 . . . . . 287 E CB . 53085 2 79 . 1 . 1 28 28 GLU N N 15 125.485 0.099 . 1 . . . . . 287 E N . 53085 2 80 . 1 . 1 29 29 ALA H H 1 8.293 0.013 . 1 . . . . . 288 A H . 53085 2 81 . 1 . 1 29 29 ALA C C 13 177.537 0.062 . 1 . . . . . 288 A C . 53085 2 82 . 1 . 1 29 29 ALA CA C 13 52.930 0.098 . 1 . . . . . 288 A CA . 53085 2 83 . 1 . 1 29 29 ALA CB C 13 19.229 0.183 . 1 . . . . . 288 A CB . 53085 2 84 . 1 . 1 29 29 ALA N N 15 124.416 0.126 . 1 . . . . . 288 A N . 53085 2 85 . 1 . 1 30 30 GLU H H 1 8.234 0.009 . 1 . . . . . 289 E H . 53085 2 86 . 1 . 1 30 30 GLU C C 13 176.335 0.132 . 1 . . . . . 289 E C . 53085 2 87 . 1 . 1 30 30 GLU CA C 13 56.712 0.126 . 1 . . . . . 289 E CA . 53085 2 88 . 1 . 1 30 30 GLU CB C 13 30.071 0.271 . 1 . . . . . 289 E CB . 53085 2 89 . 1 . 1 30 30 GLU N N 15 118.568 0.084 . 1 . . . . . 289 E N . 53085 2 90 . 1 . 1 31 31 LEU H H 1 8.168 0.018 . 1 . . . . . 290 L H . 53085 2 91 . 1 . 1 31 31 LEU C C 13 177.178 0.000 . 1 . . . . . 290 L C . 53085 2 92 . 1 . 1 31 31 LEU CA C 13 55.439 0.048 . 1 . . . . . 290 L CA . 53085 2 93 . 1 . 1 31 31 LEU CB C 13 41.979 0.306 . 1 . . . . . 290 L CB . 53085 2 94 . 1 . 1 31 31 LEU N N 15 123.222 0.099 . 1 . . . . . 290 L N . 53085 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 53085 _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' . . . 53085 3 2 '3D HNCA' . . . 53085 3 3 '3D HNCO' . . . 53085 3 4 '3D HNCACB' . . . 53085 3 5 '3D HN(CA)CO' . . . 53085 3 6 '3D HN(CO)CA' . . . 53085 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 . . 53085 3 2 $software_2 . . 53085 3 3 $software_3 . . 53085 3 4 $software_4 . . 53085 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 13 174.238 0.035 . 1 . . . . . 261 T C . 53085 3 2 . 1 . 1 2 2 THR CA C 13 62.157 0.106 . 1 . . . . . 261 T CA . 53085 3 3 . 1 . 1 2 2 THR CB C 13 69.775 0.002 . 1 . . . . . 261 T CB . 53085 3 4 . 1 . 1 3 3 PHE H H 1 8.507 0.013 . 1 . . . . . 262 F H . 53085 3 5 . 1 . 1 3 3 PHE C C 13 175.599 0.000 . 1 . . . . . 262 F C . 53085 3 6 . 1 . 1 3 3 PHE CA C 13 57.804 0.051 . 1 . . . . . 262 F CA . 53085 3 7 . 1 . 1 3 3 PHE CB C 13 39.576 0.096 . 1 . . . . . 262 F CB . 53085 3 8 . 1 . 1 3 3 PHE N N 15 122.713 0.130 . 1 . . . . . 262 F N . 53085 3 9 . 1 . 1 4 4 THR H H 1 8.120 0.025 . 1 . . . . . 263 T H . 53085 3 10 . 1 . 1 4 4 THR C C 13 174.425 0.053 . 1 . . . . . 263 T C . 53085 3 11 . 1 . 1 4 4 THR CA C 13 61.671 0.059 . 1 . . . . . 263 T CA . 53085 3 12 . 1 . 1 4 4 THR CB C 13 69.748 0.042 . 1 . . . . . 263 T CB . 53085 3 13 . 1 . 1 4 4 THR N N 15 116.557 0.105 . 1 . . . . . 263 T N . 53085 3 14 . 1 . 1 5 5 TRP H H 1 8.130 0.009 . 1 . . . . . 264 W H . 53085 3 15 . 1 . 1 5 5 TRP C C 13 175.683 0.000 . 1 . . . . . 264 W C . 53085 3 16 . 1 . 1 5 5 TRP CA C 13 53.755 0.039 . 1 . . . . . 264 W CA . 53085 3 17 . 1 . 1 5 5 TRP N N 15 123.748 0.103 . 1 . . . . . 264 W N . 53085 3 18 . 1 . 1 6 6 THR C C 13 174.493 0.060 . 1 . . . . . 265 T C . 53085 3 19 . 1 . 1 6 6 THR CA C 13 61.662 0.052 . 1 . . . . . 265 T CA . 53085 3 20 . 1 . 1 6 6 THR CB C 13 69.909 0.073 . 1 . . . . . 265 T CB . 53085 3 21 . 1 . 1 7 7 LEU H H 1 8.260 0.011 . 1 . . . . . 266 L H . 53085 3 22 . 1 . 1 7 7 LEU C C 13 177.553 0.000 . 1 . . . . . 266 L C . 53085 3 23 . 1 . 1 7 7 LEU CA C 13 55.449 0.060 . 1 . . . . . 266 L CA . 53085 3 24 . 1 . 1 7 7 LEU CB C 13 41.921 0.278 . 1 . . . . . 266 L CB . 53085 3 25 . 1 . 1 7 7 LEU N N 15 124.445 0.062 . 1 . . . . . 266 L N . 53085 3 26 . 1 . 1 18 18 GLY C C 13 173.860 0.007 . 1 . . . . . 277 G C . 53085 3 27 . 1 . 1 18 18 GLY CA C 13 45.345 0.041 . 1 . . . . . 277 G CA . 53085 3 28 . 1 . 1 19 19 TYR H H 1 8.205 0.013 . 1 . . . . . 278 Y H . 53085 3 29 . 1 . 1 19 19 TYR C C 13 175.420 0.000 . 1 . . . . . 278 Y C . 53085 3 30 . 1 . 1 19 19 TYR CA C 13 58.288 0.059 . 1 . . . . . 278 Y CA . 53085 3 31 . 1 . 1 19 19 TYR CB C 13 39.135 0.131 . 1 . . . . . 278 Y CB . 53085 3 32 . 1 . 1 19 19 TYR N N 15 120.660 0.042 . 1 . . . . . 278 Y N . 53085 3 33 . 1 . 1 26 26 LEU CA C 13 55.983 0.000 . 1 . . . . . 285 L CA . 53085 3 34 . 1 . 1 26 26 LEU CB C 13 41.811 0.293 . 1 . . . . . 285 L CB . 53085 3 35 . 1 . 1 27 27 ILE H H 1 8.005 0.018 . 1 . . . . . 286 I H . 53085 3 36 . 1 . 1 27 27 ILE CA C 13 61.540 0.000 . 1 . . . . . 286 I CA . 53085 3 37 . 1 . 1 27 27 ILE CB C 13 38.317 0.086 . 1 . . . . . 286 I CB . 53085 3 38 . 1 . 1 27 27 ILE N N 15 120.570 0.077 . 1 . . . . . 286 I N . 53085 3 39 . 1 . 1 29 29 ALA C C 13 177.834 0.041 . 1 . . . . . 288 A C . 53085 3 40 . 1 . 1 29 29 ALA CA C 13 52.867 0.077 . 1 . . . . . 288 A CA . 53085 3 41 . 1 . 1 29 29 ALA CB C 13 19.431 0.000 . 1 . . . . . 288 A CB . 53085 3 42 . 1 . 1 30 30 GLU H H 1 8.267 0.007 . 1 . . . . . 289 E H . 53085 3 43 . 1 . 1 30 30 GLU C C 13 176.506 0.016 . 1 . . . . . 289 E C . 53085 3 44 . 1 . 1 30 30 GLU CA C 13 56.582 0.103 . 1 . . . . . 289 E CA . 53085 3 45 . 1 . 1 30 30 GLU CB C 13 30.174 0.148 . 1 . . . . . 289 E CB . 53085 3 46 . 1 . 1 30 30 GLU N N 15 119.551 0.081 . 1 . . . . . 289 E N . 53085 3 47 . 1 . 1 31 31 LEU H H 1 8.198 0.020 . 1 . . . . . 290 L H . 53085 3 48 . 1 . 1 31 31 LEU C C 13 177.026 0.000 . 1 . . . . . 290 L C . 53085 3 49 . 1 . 1 31 31 LEU CA C 13 55.240 0.110 . 1 . . . . . 290 L CA . 53085 3 50 . 1 . 1 31 31 LEU CB C 13 41.821 0.410 . 1 . . . . . 290 L CB . 53085 3 51 . 1 . 1 31 31 LEU N N 15 123.395 0.119 . 1 . . . . . 290 L N . 53085 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 53085 _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' . . . 53085 4 2 '3D HNCA' . . . 53085 4 3 '3D HNCO' . . . 53085 4 4 '3D HNCACB' . . . 53085 4 5 '3D HN(CA)CO' . . . 53085 4 6 '3D HN(CO)CA' . . . 53085 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 . . 53085 4 2 $software_2 . . 53085 4 3 $software_3 . . 53085 4 4 $software_4 . . 53085 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 6 6 THR C C 13 174.614 0.024 . 1 . . . . . 265 T C . 53085 4 2 . 1 . 1 6 6 THR CA C 13 61.752 0.184 . 1 . . . . . 265 T CA . 53085 4 3 . 1 . 1 6 6 THR CB C 13 70.135 0.242 . 1 . . . . . 265 T CB . 53085 4 4 . 1 . 1 7 7 LEU H H 1 8.180 0.009 . 1 . . . . . 266 L H . 53085 4 5 . 1 . 1 7 7 LEU C C 13 177.452 0.000 . 1 . . . . . 266 L C . 53085 4 6 . 1 . 1 7 7 LEU CA C 13 55.460 0.021 . 1 . . . . . 266 L CA . 53085 4 7 . 1 . 1 7 7 LEU CB C 13 41.969 0.265 . 1 . . . . . 266 L CB . 53085 4 8 . 1 . 1 7 7 LEU N N 15 124.090 0.176 . 1 . . . . . 266 L N . 53085 4 9 . 1 . 1 18 18 GLY C C 13 173.707 0.016 . 1 . . . . . 277 G C . 53085 4 10 . 1 . 1 18 18 GLY CA C 13 45.234 0.006 . 1 . . . . . 277 G CA . 53085 4 11 . 1 . 1 19 19 TYR H H 1 8.017 0.012 . 1 . . . . . 278 Y H . 53085 4 12 . 1 . 1 19 19 TYR C C 13 175.343 0.000 . 1 . . . . . 278 Y C . 53085 4 13 . 1 . 1 19 19 TYR CA C 13 57.912 0.007 . 1 . . . . . 278 Y CA . 53085 4 14 . 1 . 1 19 19 TYR CB C 13 38.930 0.002 . 1 . . . . . 278 Y CB . 53085 4 15 . 1 . 1 19 19 TYR N N 15 119.670 0.115 . 1 . . . . . 278 Y N . 53085 4 stop_ save_