################################### # 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 18688 _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' . . . 18688 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.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 . 3 3 1 1 ALA H H 1 8.359 0.05 . 1 . . . C 327 ALA H1 . 18688 1 2 . 3 3 1 1 ALA N N 15 126.027 0.2 . 1 . . . C 327 ALA N . 18688 1 3 . 3 3 2 2 VAL H H 1 8.328 0.05 . 1 . . . C 328 VAL H . 18688 1 4 . 3 3 2 2 VAL N N 15 120.328 0.2 . 1 . . . C 328 VAL N . 18688 1 5 . 3 3 3 3 ALA H H 1 8.471 0.05 . 1 . . . C 329 ALA H . 18688 1 6 . 3 3 3 3 ALA N N 15 130.69 0.2 . 1 . . . C 329 ALA N . 18688 1 7 . 3 3 4 4 THR H H 1 9.272 0.05 . 1 . . . C 330 THR H . 18688 1 8 . 3 3 4 4 THR N N 15 116.661 0.2 . 1 . . . C 330 THR N . 18688 1 9 . 3 3 6 6 GLU H H 1 8.552 0.05 . 1 . . . C 332 GLU H . 18688 1 10 . 3 3 6 6 GLU N N 15 118.312 0.2 . 1 . . . C 332 GLU N . 18688 1 11 . 3 3 7 7 GLU H H 1 7.774 0.05 . 1 . . . C 333 GLU H . 18688 1 12 . 3 3 7 7 GLU N N 15 120.835 0.2 . 1 . . . C 333 GLU N . 18688 1 13 . 3 3 8 8 LEU H H 1 8.04 0.05 . 1 . . . C 334 LEU H . 18688 1 14 . 3 3 8 8 LEU N N 15 120.482 0.2 . 1 . . . C 334 LEU N . 18688 1 15 . 3 3 9 9 ALA H H 1 7.927 0.05 . 1 . . . C 335 ALA H . 18688 1 16 . 3 3 9 9 ALA N N 15 122.471 0.2 . 1 . . . C 335 ALA N . 18688 1 17 . 3 3 10 10 VAL H H 1 7.521 0.05 . 1 . . . C 336 VAL H . 18688 1 18 . 3 3 10 10 VAL N N 15 114.882 0.2 . 1 . . . C 336 VAL N . 18688 1 19 . 3 3 11 11 ASN H H 1 7.381 0.05 . 1 . . . C 337 ASN H . 18688 1 20 . 3 3 11 11 ASN N N 15 119.41 0.2 . 1 . . . C 337 ASN N . 18688 1 21 . 3 3 12 12 ASN H H 1 8.052 0.05 . 1 . . . C 338 ASN H . 18688 1 22 . 3 3 12 12 ASN N N 15 117.204 0.2 . 1 . . . C 338 ASN N . 18688 1 23 . 3 3 13 13 ASP H H 1 7.732 0.05 . 1 . . . C 339 ASP H . 18688 1 24 . 3 3 13 13 ASP N N 15 117.72 0.2 . 1 . . . C 339 ASP N . 18688 1 25 . 3 3 14 14 ASP H H 1 8.318 0.05 . 1 . . . C 340 ASP H . 18688 1 26 . 3 3 14 14 ASP N N 15 120.515 0.2 . 1 . . . C 340 ASP N . 18688 1 27 . 3 3 15 15 CYS H H 1 8.167 0.05 . 1 . . . C 341 CYS H . 18688 1 28 . 3 3 15 15 CYS N N 15 124.283 0.2 . 1 . . . C 341 CYS N . 18688 1 29 . 3 3 16 16 ALA H H 1 8.739 0.05 . 1 . . . C 342 ALA H . 18688 1 30 . 3 3 16 16 ALA N N 15 131.638 0.2 . 1 . . . C 342 ALA N . 18688 1 31 . 3 3 17 17 ILE H H 1 8.324 0.05 . 1 . . . C 343 ILE H . 18688 1 32 . 3 3 17 17 ILE N N 15 117.904 0.2 . 1 . . . C 343 ILE N . 18688 1 33 . 3 3 18 18 CYS H H 1 7.423 0.05 . 1 . . . C 344 CYS H . 18688 1 34 . 3 3 18 18 CYS N N 15 116.54 0.2 . 1 . . . C 344 CYS N . 18688 1 35 . 3 3 19 19 TRP H H 1 8.328 0.05 . 1 . . . C 345 TRP H . 18688 1 36 . 3 3 19 19 TRP N N 15 120.328 0.2 . 1 . . . C 345 TRP N . 18688 1 37 . 3 3 20 20 ASP H H 1 8.636 0.05 . 1 . . . C 346 ASP H . 18688 1 38 . 3 3 20 20 ASP N N 15 121.122 0.2 . 1 . . . C 346 ASP N . 18688 1 39 . 3 3 21 21 SER H H 1 8.57 0.05 . 1 . . . C 347 SER H . 18688 1 40 . 3 3 21 21 SER N N 15 117.041 0.2 . 1 . . . C 347 SER N . 18688 1 41 . 3 3 22 22 MET H H 1 9.047 0.05 . 1 . . . C 348 MET H . 18688 1 42 . 3 3 22 22 MET N N 15 121.175 0.2 . 1 . . . C 348 MET N . 18688 1 43 . 3 3 23 23 GLN H H 1 9.407 0.05 . 1 . . . C 349 GLN H . 18688 1 44 . 3 3 23 23 GLN N N 15 123.624 0.2 . 1 . . . C 349 GLN N . 18688 1 45 . 3 3 24 24 ALA H H 1 7.715 0.05 . 1 . . . C 350 ALA H . 18688 1 46 . 3 3 24 24 ALA N N 15 121.904 0.2 . 1 . . . C 350 ALA N . 18688 1 47 . 3 3 25 25 ALA H H 1 9.024 0.05 . 1 . . . C 351 ALA H . 18688 1 48 . 3 3 25 25 ALA N N 15 122.33 0.2 . 1 . . . C 351 ALA N . 18688 1 49 . 3 3 26 26 ARG H H 1 8.929 0.05 . 1 . . . C 352 ARG H . 18688 1 50 . 3 3 26 26 ARG N N 15 119.48 0.2 . 1 . . . C 352 ARG N . 18688 1 51 . 3 3 27 27 LYS H H 1 8.798 0.05 . 1 . . . C 353 LYS H . 18688 1 52 . 3 3 27 27 LYS N N 15 122.807 0.2 . 1 . . . C 353 LYS N . 18688 1 53 . 3 3 28 28 LEU H H 1 8.575 0.05 . 1 . . . C 354 LEU H . 18688 1 54 . 3 3 28 28 LEU N N 15 126.556 0.2 . 1 . . . C 354 LEU N . 18688 1 55 . 3 3 30 30 CYS H H 1 7.563 0.05 . 1 . . . C 356 CYS H . 18688 1 56 . 3 3 30 30 CYS N N 15 113.852 0.2 . 1 . . . C 356 CYS N . 18688 1 57 . 3 3 31 31 GLY H H 1 8.28 0.05 . 1 . . . C 357 GLY H . 18688 1 58 . 3 3 31 31 GLY N N 15 111.852 0.2 . 1 . . . C 357 GLY N . 18688 1 59 . 3 3 32 32 HIS H H 1 7.819 0.05 . 1 . . . C 358 HIS H . 18688 1 60 . 3 3 32 32 HIS N N 15 122.877 0.2 . 1 . . . C 358 HIS N . 18688 1 61 . 3 3 33 33 LEU H H 1 8.023 0.05 . 1 . . . C 359 LEU H . 18688 1 62 . 3 3 33 33 LEU N N 15 122.001 0.2 . 1 . . . C 359 LEU N . 18688 1 63 . 3 3 34 34 PHE H H 1 8.007 0.05 . 1 . . . C 360 PHE H . 18688 1 64 . 3 3 34 34 PHE N N 15 113.998 0.2 . 1 . . . C 360 PHE N . 18688 1 65 . 3 3 35 35 HIS H H 1 7.861 0.05 . 1 . . . C 361 HIS H . 18688 1 66 . 3 3 35 35 HIS N N 15 118.074 0.2 . 1 . . . C 361 HIS N . 18688 1 67 . 3 3 36 36 ASN H H 1 9.44 0.05 . 1 . . . C 362 ASN H . 18688 1 68 . 3 3 36 36 ASN N N 15 121.428 0.2 . 1 . . . C 362 ASN N . 18688 1 69 . 3 3 37 37 SER H H 1 8.994 0.05 . 1 . . . C 363 SER H . 18688 1 70 . 3 3 37 37 SER N N 15 113.65 0.2 . 1 . . . C 363 SER N . 18688 1 71 . 3 3 38 38 CYS H H 1 6.757 0.05 . 1 . . . C 364 CYS H . 18688 1 72 . 3 3 38 38 CYS N N 15 122.902 0.2 . 1 . . . C 364 CYS N . 18688 1 73 . 3 3 39 39 LEU H H 1 8.441 0.05 . 1 . . . C 365 LEU H . 18688 1 74 . 3 3 39 39 LEU N N 15 120.437 0.2 . 1 . . . C 365 LEU N . 18688 1 75 . 3 3 40 40 ARG H H 1 8.278 0.05 . 1 . . . C 366 ARG H . 18688 1 76 . 3 3 40 40 ARG N N 15 119.135 0.2 . 1 . . . C 366 ARG N . 18688 1 77 . 3 3 41 41 SER H H 1 7.613 0.05 . 1 . . . C 367 SER H . 18688 1 78 . 3 3 41 41 SER N N 15 112.336 0.2 . 1 . . . C 367 SER N . 18688 1 79 . 3 3 42 42 TRP H H 1 8.375 0.05 . 1 . . . C 368 TRP H . 18688 1 80 . 3 3 42 42 TRP N N 15 125.008 0.2 . 1 . . . C 368 TRP N . 18688 1 81 . 3 3 43 43 LEU H H 1 8.447 0.05 . 1 . . . C 369 LEU H . 18688 1 82 . 3 3 43 43 LEU N N 15 117.157 0.2 . 1 . . . C 369 LEU N . 18688 1 83 . 3 3 44 44 GLU H H 1 7.184 0.05 . 1 . . . C 370 GLU H . 18688 1 84 . 3 3 44 44 GLU N N 15 116.296 0.2 . 1 . . . C 370 GLU N . 18688 1 85 . 3 3 45 45 GLN H H 1 7.487 0.05 . 1 . . . C 371 GLN H . 18688 1 86 . 3 3 45 45 GLN N N 15 113.164 0.2 . 1 . . . C 371 GLN N . 18688 1 87 . 3 3 46 46 ASP H H 1 7.836 0.05 . 1 . . . C 372 ASP H . 18688 1 88 . 3 3 46 46 ASP N N 15 122.188 0.2 . 1 . . . C 372 ASP N . 18688 1 89 . 3 3 47 47 THR H H 1 7.805 0.05 . 1 . . . C 373 THR H . 18688 1 90 . 3 3 47 47 THR N N 15 111.687 0.2 . 1 . . . C 373 THR N . 18688 1 91 . 3 3 48 48 SER H H 1 8.205 0.05 . 1 . . . C 374 SER H . 18688 1 92 . 3 3 48 48 SER N N 15 117.61 0.2 . 1 . . . C 374 SER N . 18688 1 93 . 3 3 49 49 CYS H H 1 8.404 0.05 . 1 . . . C 375 CYS H . 18688 1 94 . 3 3 49 49 CYS N N 15 122.885 0.2 . 1 . . . C 375 CYS N . 18688 1 95 . 3 3 51 51 THR H H 1 8.992 0.05 . 1 . . . C 377 THR H . 18688 1 96 . 3 3 51 51 THR N N 15 116.35 0.2 . 1 . . . C 377 THR N . 18688 1 97 . 3 3 52 52 CYS H H 1 8.549 0.05 . 1 . . . C 378 CYS H . 18688 1 98 . 3 3 52 52 CYS N N 15 121.356 0.2 . 1 . . . C 378 CYS N . 18688 1 99 . 3 3 53 53 ARG H H 1 7.806 0.05 . 1 . . . C 379 ARG H . 18688 1 100 . 3 3 53 53 ARG N N 15 116.035 0.2 . 1 . . . C 379 ARG N . 18688 1 101 . 3 3 54 54 MET H H 1 8.025 0.05 . 1 . . . C 380 MET H . 18688 1 102 . 3 3 54 54 MET N N 15 122.001 0.2 . 1 . . . C 380 MET N . 18688 1 103 . 3 3 55 55 SER H H 1 8.784 0.05 . 1 . . . C 381 SER H . 18688 1 104 . 3 3 55 55 SER N N 15 121.461 0.2 . 1 . . . C 381 SER N . 18688 1 105 . 3 3 56 56 LEU H H 1 8.459 0.05 . 1 . . . C 382 LEU H . 18688 1 106 . 3 3 56 56 LEU N N 15 125.216 0.2 . 1 . . . C 382 LEU N . 18688 1 107 . 3 3 57 57 ASN H H 1 8.416 0.05 . 1 . . . C 383 ASN H . 18688 1 108 . 3 3 57 57 ASN N N 15 119.776 0.2 . 1 . . . C 383 ASN N . 18688 1 109 . 3 3 58 58 ILE H H 1 8.107 0.05 . 1 . . . C 384 ILE H . 18688 1 110 . 3 3 58 58 ILE N N 15 121.407 0.2 . 1 . . . C 384 ILE N . 18688 1 stop_ save_