################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27671 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 27671 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 4 4 GLY N N 15 108.919 0.000 . 1 . . . . . 243 GLY N . 27671 1 2 . 1 1 5 5 TRP H H 1 9.000 0.000 . 1 . . . . . 244 TRP H . 27671 1 3 . 1 1 5 5 TRP N N 15 122.545 0.000 . 1 . . . . . 244 TRP N . 27671 1 4 . 1 1 6 6 CYS H H 1 9.005 0.000 . 1 . . . . . 245 CYS H . 27671 1 5 . 1 1 6 6 CYS N N 15 124.212 0.000 . 1 . . . . . 245 CYS N . 27671 1 6 . 1 1 7 7 ILE H H 1 9.832 0.000 . 1 . . . . . 246 ILE H . 27671 1 7 . 1 1 7 7 ILE N N 15 132.406 0.000 . 1 . . . . . 246 ILE N . 27671 1 8 . 1 1 8 8 PHE H H 1 9.514 0.000 . 1 . . . . . 247 PHE H . 27671 1 9 . 1 1 8 8 PHE N N 15 127.774 0.000 . 1 . . . . . 247 PHE N . 27671 1 10 . 1 1 9 9 ILE H H 1 8.318 0.000 . 1 . . . . . 248 ILE H . 27671 1 11 . 1 1 9 9 ILE N N 15 125.490 0.000 . 1 . . . . . 248 ILE N . 27671 1 12 . 1 1 10 10 TYR H H 1 9.100 0.000 . 1 . . . . . 249 TYR H . 27671 1 13 . 1 1 10 10 TYR N N 15 124.503 0.000 . 1 . . . . . 249 TYR N . 27671 1 14 . 1 1 11 11 ASN H H 1 7.592 0.000 . 1 . . . . . 250 ASN H . 27671 1 15 . 1 1 11 11 ASN N N 15 117.242 0.000 . 1 . . . . . 250 ASN N . 27671 1 16 . 1 1 12 12 LEU H H 1 7.235 0.000 . 1 . . . . . 251 LEU H . 27671 1 17 . 1 1 12 12 LEU N N 15 113.640 0.000 . 1 . . . . . 251 LEU N . 27671 1 18 . 1 1 13 13 GLY H H 1 8.426 0.000 . 1 . . . . . 252 GLY H . 27671 1 19 . 1 1 13 13 GLY N N 15 107.825 0.000 . 1 . . . . . 252 GLY N . 27671 1 20 . 1 1 14 14 GLN H H 1 8.533 0.000 . 1 . . . . . 253 GLN H . 27671 1 21 . 1 1 14 14 GLN N N 15 116.426 0.000 . 1 . . . . . 253 GLN N . 27671 1 22 . 1 1 15 15 ASP H H 1 8.590 0.000 . 1 . . . . . 254 ASP H . 27671 1 23 . 1 1 15 15 ASP N N 15 116.745 0.000 . 1 . . . . . 254 ASP N . 27671 1 24 . 1 1 16 16 ALA H H 1 7.184 0.000 . 1 . . . . . 255 ALA H . 27671 1 25 . 1 1 16 16 ALA N N 15 123.391 0.000 . 1 . . . . . 255 ALA N . 27671 1 26 . 1 1 17 17 ASP H H 1 7.102 0.000 . 1 . . . . . 256 ASP H . 27671 1 27 . 1 1 17 17 ASP N N 15 116.522 0.000 . 1 . . . . . 256 ASP N . 27671 1 28 . 1 1 18 18 GLU H H 1 9.671 0.000 . 1 . . . . . 257 GLU H . 27671 1 29 . 1 1 18 18 GLU N N 15 119.042 0.000 . 1 . . . . . 257 GLU N . 27671 1 30 . 1 1 19 19 GLY H H 1 8.582 0.000 . 1 . . . . . 258 GLY H . 27671 1 31 . 1 1 19 19 GLY N N 15 106.499 0.000 . 1 . . . . . 258 GLY N . 27671 1 32 . 1 1 20 20 ILE H H 1 7.695 0.000 . 1 . . . . . 259 ILE H . 27671 1 33 . 1 1 20 20 ILE N N 15 120.638 0.000 . 1 . . . . . 259 ILE N . 27671 1 34 . 1 1 21 21 LEU H H 1 7.060 0.000 . 1 . . . . . 260 LEU H . 27671 1 35 . 1 1 21 21 LEU N N 15 119.707 0.000 . 1 . . . . . 260 LEU N . 27671 1 36 . 1 1 22 22 TRP H H 1 8.450 0.000 . 1 . . . . . 261 TRP H . 27671 1 37 . 1 1 22 22 TRP N N 15 120.514 0.000 . 1 . . . . . 261 TRP N . 27671 1 38 . 1 1 32 32 THR H H 1 8.200 0.000 . 1 . . . . . 271 THR H . 27671 1 39 . 1 1 32 32 THR N N 15 114.002 0.000 . 1 . . . . . 271 THR N . 27671 1 40 . 1 1 33 33 ASN H H 1 7.316 0.000 . 1 . . . . . 272 ASN H . 27671 1 41 . 1 1 33 33 ASN N N 15 118.275 0.000 . 1 . . . . . 272 ASN N . 27671 1 42 . 1 1 34 34 VAL H H 1 7.909 0.000 . 1 . . . . . 273 VAL H . 27671 1 43 . 1 1 34 34 VAL N N 15 119.750 0.000 . 1 . . . . . 273 VAL N . 27671 1 44 . 1 1 35 35 LYS H H 1 8.744 0.000 . 1 . . . . . 274 LYS H . 27671 1 45 . 1 1 35 35 LYS N N 15 124.400 0.000 . 1 . . . . . 274 LYS N . 27671 1 46 . 1 1 36 36 VAL H H 1 8.631 0.000 . 1 . . . . . 275 VAL H . 27671 1 47 . 1 1 36 36 VAL N N 15 123.247 0.000 . 1 . . . . . 275 VAL N . 27671 1 48 . 1 1 37 37 ILE H H 1 7.896 0.000 . 1 . . . . . 276 ILE H . 27671 1 49 . 1 1 37 37 ILE N N 15 126.541 0.000 . 1 . . . . . 276 ILE N . 27671 1 50 . 1 1 38 38 ARG H H 1 8.655 0.000 . 1 . . . . . 277 ARG H . 27671 1 51 . 1 1 38 38 ARG N N 15 127.194 0.000 . 1 . . . . . 277 ARG N . 27671 1 52 . 1 1 39 39 ASP H H 1 8.481 0.000 . 1 . . . . . 278 ASP H . 27671 1 53 . 1 1 39 39 ASP N N 15 121.802 0.000 . 1 . . . . . 278 ASP N . 27671 1 54 . 1 1 41 41 ASN H H 1 8.700 0.000 . 1 . . . . . 280 ASN H . 27671 1 55 . 1 1 41 41 ASN N N 15 116.012 0.000 . 1 . . . . . 280 ASN N . 27671 1 56 . 1 1 42 42 THR H H 1 8.188 0.000 . 1 . . . . . 281 THR H . 27671 1 57 . 1 1 42 42 THR N N 15 108.014 0.000 . 1 . . . . . 281 THR N . 27671 1 58 . 1 1 43 43 ASN H H 1 8.389 0.000 . 1 . . . . . 282 ASN H . 27671 1 59 . 1 1 43 43 ASN N N 15 117.205 0.000 . 1 . . . . . 282 ASN N . 27671 1 60 . 1 1 44 44 LYS H H 1 7.745 0.000 . 1 . . . . . 283 LYS H . 27671 1 61 . 1 1 44 44 LYS N N 15 117.039 0.000 . 1 . . . . . 283 LYS N . 27671 1 62 . 1 1 45 45 CYS H H 1 8.900 0.000 . 1 . . . . . 284 CYS H . 27671 1 63 . 1 1 45 45 CYS N N 15 121.725 0.000 . 1 . . . . . 284 CYS N . 27671 1 64 . 1 1 46 46 LYS H H 1 9.094 0.000 . 1 . . . . . 285 LYS H . 27671 1 65 . 1 1 46 46 LYS N N 15 128.629 0.000 . 1 . . . . . 285 LYS N . 27671 1 66 . 1 1 47 47 GLY H H 1 8.502 0.000 . 1 . . . . . 286 GLY H . 27671 1 67 . 1 1 47 47 GLY N N 15 107.292 0.000 . 1 . . . . . 286 GLY N . 27671 1 68 . 1 1 48 48 PHE H H 1 6.826 0.000 . 1 . . . . . 287 PHE H . 27671 1 69 . 1 1 48 48 PHE N N 15 115.595 0.000 . 1 . . . . . 287 PHE N . 27671 1 70 . 1 1 49 49 GLY H H 1 8.636 0.000 . 1 . . . . . 288 GLY H . 27671 1 71 . 1 1 49 49 GLY N N 15 105.727 0.000 . 1 . . . . . 288 GLY N . 27671 1 72 . 1 1 50 50 PHE H H 1 8.981 0.000 . 1 . . . . . 289 PHE H . 27671 1 73 . 1 1 50 50 PHE N N 15 114.665 0.000 . 1 . . . . . 289 PHE N . 27671 1 74 . 1 1 51 51 VAL H H 1 8.934 0.000 . 1 . . . . . 290 VAL H . 27671 1 75 . 1 1 51 51 VAL N N 15 120.976 0.000 . 1 . . . . . 290 VAL N . 27671 1 76 . 1 1 52 52 THR H H 1 8.631 0.000 . 1 . . . . . 291 THR H . 27671 1 77 . 1 1 52 52 THR N N 15 121.355 0.000 . 1 . . . . . 291 THR N . 27671 1 78 . 1 1 53 53 MET H H 1 8.863 0.000 . 1 . . . . . 292 MET H . 27671 1 79 . 1 1 53 53 MET N N 15 124.544 0.000 . 1 . . . . . 292 MET N . 27671 1 80 . 1 1 54 54 THR H H 1 7.317 0.000 . 1 . . . . . 293 THR H . 27671 1 81 . 1 1 54 54 THR N N 15 117.159 0.000 . 1 . . . . . 293 THR N . 27671 1 82 . 1 1 55 55 ASN H H 1 9.921 0.000 . 1 . . . . . 294 ASN H . 27671 1 83 . 1 1 55 55 ASN N N 15 120.045 0.000 . 1 . . . . . 294 ASN N . 27671 1 84 . 1 1 56 56 TYR H H 1 9.131 0.000 . 1 . . . . . 295 TYR H . 27671 1 85 . 1 1 56 56 TYR N N 15 128.488 0.000 . 1 . . . . . 295 TYR N . 27671 1 86 . 1 1 57 57 GLU H H 1 9.079 0.000 . 1 . . . . . 296 GLU H . 27671 1 87 . 1 1 57 57 GLU N N 15 115.583 0.000 . 1 . . . . . 296 GLU N . 27671 1 88 . 1 1 58 58 GLU H H 1 7.103 0.000 . 1 . . . . . 297 GLU H . 27671 1 89 . 1 1 58 58 GLU N N 15 119.618 0.000 . 1 . . . . . 297 GLU N . 27671 1 90 . 1 1 59 59 ALA H H 1 7.992 0.000 . 1 . . . . . 298 ALA H . 27671 1 91 . 1 1 59 59 ALA N N 15 122.795 0.000 . 1 . . . . . 298 ALA N . 27671 1 92 . 1 1 60 60 ALA H H 1 8.751 0.000 . 1 . . . . . 299 ALA H . 27671 1 93 . 1 1 60 60 ALA N N 15 118.370 0.000 . 1 . . . . . 299 ALA N . 27671 1 94 . 1 1 61 61 MET H H 1 7.568 0.000 . 1 . . . . . 300 MET H . 27671 1 95 . 1 1 61 61 MET N N 15 119.247 0.000 . 1 . . . . . 300 MET N . 27671 1 96 . 1 1 62 62 ALA H H 1 8.016 0.000 . 1 . . . . . 301 ALA H . 27671 1 97 . 1 1 62 62 ALA N N 15 125.537 0.000 . 1 . . . . . 301 ALA N . 27671 1 98 . 1 1 63 63 ILE H H 1 8.071 0.000 . 1 . . . . . 302 ILE H . 27671 1 99 . 1 1 63 63 ILE N N 15 117.373 0.000 . 1 . . . . . 302 ILE N . 27671 1 100 . 1 1 64 64 ALA H H 1 7.649 0.000 . 1 . . . . . 303 ALA H . 27671 1 101 . 1 1 64 64 ALA N N 15 118.880 0.000 . 1 . . . . . 303 ALA N . 27671 1 102 . 1 1 65 65 SER H H 1 7.513 0.000 . 1 . . . . . 304 SER H . 27671 1 103 . 1 1 65 65 SER N N 15 110.842 0.000 . 1 . . . . . 304 SER N . 27671 1 104 . 1 1 66 66 LEU H H 1 8.131 0.000 . 1 . . . . . 305 LEU H . 27671 1 105 . 1 1 66 66 LEU N N 15 118.878 0.000 . 1 . . . . . 305 LEU N . 27671 1 106 . 1 1 67 67 ASN H H 1 8.097 0.000 . 1 . . . . . 306 ASN H . 27671 1 107 . 1 1 67 67 ASN N N 15 117.505 0.000 . 1 . . . . . 306 ASN N . 27671 1 108 . 1 1 68 68 GLY H H 1 8.604 0.000 . 1 . . . . . 307 GLY H . 27671 1 109 . 1 1 68 68 GLY N N 15 117.470 0.000 . 1 . . . . . 307 GLY N . 27671 1 110 . 1 1 69 69 TYR H H 1 7.984 0.000 . 1 . . . . . 308 TYR H . 27671 1 111 . 1 1 69 69 TYR N N 15 123.492 0.000 . 1 . . . . . 308 TYR N . 27671 1 112 . 1 1 70 70 ARG H H 1 7.591 0.000 . 1 . . . . . 309 ARG H . 27671 1 113 . 1 1 70 70 ARG N N 15 127.355 0.000 . 1 . . . . . 309 ARG N . 27671 1 114 . 1 1 71 71 LEU H H 1 8.560 0.000 . 1 . . . . . 310 LEU H . 27671 1 115 . 1 1 71 71 LEU N N 15 130.260 0.000 . 1 . . . . . 310 LEU N . 27671 1 116 . 1 1 72 72 GLY H H 1 8.986 0.000 . 1 . . . . . 311 GLY H . 27671 1 117 . 1 1 72 72 GLY N N 15 118.292 0.000 . 1 . . . . . 311 GLY N . 27671 1 118 . 1 1 73 73 ASP H H 1 8.747 0.000 . 1 . . . . . 312 ASP H . 27671 1 119 . 1 1 73 73 ASP N N 15 125.413 0.000 . 1 . . . . . 312 ASP N . 27671 1 120 . 1 1 74 74 LYS H H 1 7.731 0.000 . 1 . . . . . 313 LYS H . 27671 1 121 . 1 1 74 74 LYS N N 15 119.818 0.000 . 1 . . . . . 313 LYS N . 27671 1 122 . 1 1 75 75 ILE H H 1 8.142 0.000 . 1 . . . . . 314 ILE H . 27671 1 123 . 1 1 75 75 ILE N N 15 120.900 0.000 . 1 . . . . . 314 ILE N . 27671 1 124 . 1 1 76 76 LEU H H 1 9.252 0.000 . 1 . . . . . 315 LEU H . 27671 1 125 . 1 1 76 76 LEU N N 15 128.614 0.000 . 1 . . . . . 315 LEU N . 27671 1 126 . 1 1 77 77 GLN H H 1 8.198 0.000 . 1 . . . . . 316 GLN H . 27671 1 127 . 1 1 77 77 GLN N N 15 121.758 0.000 . 1 . . . . . 316 GLN N . 27671 1 128 . 1 1 78 78 VAL H H 1 8.850 0.000 . 1 . . . . . 317 VAL H . 27671 1 129 . 1 1 78 78 VAL N N 15 125.980 0.000 . 1 . . . . . 317 VAL N . 27671 1 130 . 1 1 79 79 SER H H 1 8.899 0.000 . 1 . . . . . 318 SER H . 27671 1 131 . 1 1 79 79 SER N N 15 118.190 0.000 . 1 . . . . . 318 SER N . 27671 1 132 . 1 1 80 80 PHE H H 1 8.849 0.000 . 1 . . . . . 319 PHE H . 27671 1 133 . 1 1 80 80 PHE N N 15 120.253 0.000 . 1 . . . . . 319 PHE N . 27671 1 134 . 1 1 81 81 LYS H H 1 9.035 0.000 . 1 . . . . . 320 LYS H . 27671 1 135 . 1 1 81 81 LYS N N 15 123.531 0.000 . 1 . . . . . 320 LYS N . 27671 1 136 . 1 1 82 82 THR H H 1 8.426 0.000 . 1 . . . . . 321 THR H . 27671 1 137 . 1 1 82 82 THR N N 15 117.571 0.000 . 1 . . . . . 321 THR N . 27671 1 138 . 1 1 87 87 LYS H H 1 7.873 0.000 . 1 . . . . . 326 LYS H . 27671 1 139 . 1 1 87 87 LYS N N 15 127.348 0.000 . 1 . . . . . 326 LYS N . 27671 1 stop_ save_