################################### # 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 54023 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Tub2p C-terminal tail' _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 2 '3D CCCONH' . . . 54023 1 3 '3D HNCACB' . . . 54023 1 4 '3D HNCO' . . . 54023 1 5 '3D HNCACO' . . . 54023 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 . . 54023 1 2 $software_2 . . 54023 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 3 3 GLN H H 1 8.705 . . . . . . . . 426 Q HN . 54023 1 2 . 1 . 1 3 3 GLN C C 13 175.958 . . . . . . . . 426 Q C . 54023 1 3 . 1 . 1 3 3 GLN CA C 13 56.272 . . . . . . . . 426 Q CA . 54023 1 4 . 1 . 1 3 3 GLN CB C 13 29.160 . . . . . . . . 426 Q CB . 54023 1 5 . 1 . 1 3 3 GLN N N 15 122.274 . . . . . . . . 426 Q N . 54023 1 6 . 1 . 1 4 4 GLU H H 1 8.470 . . . . . . . . 427 E HN . 54023 1 7 . 1 . 1 4 4 GLU C C 13 176.044 . . . . . . . . 427 E C . 54023 1 8 . 1 . 1 4 4 GLU CA C 13 56.635 . . . . . . . . 427 E CA . 54023 1 9 . 1 . 1 4 4 GLU CB C 13 30.081 . . . . . . . . 427 E CB . 54023 1 10 . 1 . 1 4 4 GLU N N 15 121.803 . . . . . . . . 427 E N . 54023 1 11 . 1 . 1 5 5 ALA H H 1 8.413 . . . . . . . . 428 A HN . 54023 1 12 . 1 . 1 5 5 ALA C C 13 177.760 . . . . . . . . 428 A C . 54023 1 13 . 1 . 1 5 5 ALA CA C 13 52.604 . . . . . . . . 428 A CA . 54023 1 14 . 1 . 1 5 5 ALA CB C 13 18.932 . . . . . . . . 428 A CB . 54023 1 15 . 1 . 1 5 5 ALA N N 15 125.083 . . . . . . . . 428 A N . 54023 1 16 . 1 . 1 6 6 THR H H 1 8.300 . . . . . . . . 429 T HN . 54023 1 17 . 1 . 1 6 6 THR C C 13 174.517 . . . . . . . . 429 T C . 54023 1 18 . 1 . 1 6 6 THR CA C 13 62.007 . . . . . . . . 429 T CA . 54023 1 19 . 1 . 1 6 6 THR CB C 13 70.337 . . . . . . . . 429 T CB . 54023 1 20 . 1 . 1 6 6 THR N N 15 114.680 . . . . . . . . 429 T N . 54023 1 21 . 1 . 1 7 7 VAL H H 1 8.320 . . . . . . . . 430 V HN . 54023 1 22 . 1 . 1 7 7 VAL C C 13 176.087 . . . . . . . . 430 V C . 54023 1 23 . 1 . 1 7 7 VAL CA C 13 62.276 . . . . . . . . 430 V CA . 54023 1 24 . 1 . 1 7 7 VAL CB C 13 32.734 . . . . . . . . 430 V CB . 54023 1 25 . 1 . 1 7 7 VAL N N 15 122.974 . . . . . . . . 430 V N . 54023 1 26 . 1 . 1 8 8 GLU H H 1 8.612 . . . . . . . . 431 E HN . 54023 1 27 . 1 . 1 8 8 GLU C C 13 176.148 . . . . . . . . 431 E C . 54023 1 28 . 1 . 1 8 8 GLU CA C 13 56.439 . . . . . . . . 431 E CA . 54023 1 29 . 1 . 1 8 8 GLU CB C 13 30.174 . . . . . . . . 431 E CB . 54023 1 30 . 1 . 1 8 8 GLU N N 15 125.053 . . . . . . . . 431 E N . 54023 1 31 . 1 . 1 9 9 ASP H H 1 8.445 . . . . . . . . 432 D HN . 54023 1 32 . 1 . 1 9 9 ASP C C 13 175.993 . . . . . . . . 432 D C . 54023 1 33 . 1 . 1 9 9 ASP CA C 13 54.525 . . . . . . . . 432 D CA . 54023 1 34 . 1 . 1 9 9 ASP CB C 13 41.169 . . . . . . . . 432 D CB . 54023 1 35 . 1 . 1 9 9 ASP N N 15 121.869 . . . . . . . . 432 D N . 54023 1 36 . 1 . 1 10 10 ASP H H 1 8.397 . . . . . . . . 433 D HN . 54023 1 37 . 1 . 1 10 10 ASP C C 13 176.275 . . . . . . . . 433 D C . 54023 1 38 . 1 . 1 10 10 ASP CA C 13 54.371 . . . . . . . . 433 D CA . 54023 1 39 . 1 . 1 10 10 ASP CB C 13 41.141 . . . . . . . . 433 D CB . 54023 1 40 . 1 . 1 10 10 ASP N N 15 121.255 . . . . . . . . 433 D N . 54023 1 41 . 1 . 1 11 11 GLU H H 1 8.379 . . . . . . . . 434 E HN . 54023 1 42 . 1 . 1 11 11 GLU C C 13 176.438 . . . . . . . . 434 E C . 54023 1 43 . 1 . 1 11 11 GLU CA C 13 56.634 . . . . . . . . 434 E CA . 54023 1 44 . 1 . 1 11 11 GLU CB C 13 30.235 . . . . . . . . 434 E CB . 54023 1 45 . 1 . 1 11 11 GLU N N 15 121.275 . . . . . . . . 434 E N . 54023 1 46 . 1 . 1 12 12 GLU H H 1 8.513 . . . . . . . . 435 E HN . 54023 1 47 . 1 . 1 12 12 GLU C C 13 176.375 . . . . . . . . 435 E C . 54023 1 48 . 1 . 1 12 12 GLU CA C 13 56.533 . . . . . . . . 435 E CA . 54023 1 49 . 1 . 1 12 12 GLU CB C 13 30.055 . . . . . . . . 435 E CB . 54023 1 50 . 1 . 1 12 12 GLU N N 15 122.853 . . . . . . . . 435 E N . 54023 1 51 . 1 . 1 13 13 VAL H H 1 8.322 . . . . . . . . 436 V HN . 54023 1 52 . 1 . 1 13 13 VAL C C 13 175.768 . . . . . . . . 436 V C . 54023 1 53 . 1 . 1 13 13 VAL CA C 13 62.214 . . . . . . . . 436 V CA . 54023 1 54 . 1 . 1 13 13 VAL CB C 13 32.960 . . . . . . . . 436 V CB . 54023 1 55 . 1 . 1 13 13 VAL N N 15 122.210 . . . . . . . . 436 V N . 54023 1 56 . 1 . 1 14 14 ASP H H 1 8.568 . . . . . . . . 437 D HN . 54023 1 57 . 1 . 1 14 14 ASP C C 13 176.605 . . . . . . . . 437 D C . 54023 1 58 . 1 . 1 14 14 ASP CA C 13 54.065 . . . . . . . . 437 D CA . 54023 1 59 . 1 . 1 14 14 ASP CB C 13 41.258 . . . . . . . . 437 D CB . 54023 1 60 . 1 . 1 14 14 ASP N N 15 125.089 . . . . . . . . 437 D N . 54023 1 61 . 1 . 1 15 15 GLU H H 1 8.699 . . . . . . . . 438 E HN . 54023 1 62 . 1 . 1 15 15 GLU C C 13 176.553 . . . . . . . . 438 E C . 54023 1 63 . 1 . 1 15 15 GLU CA C 13 57.117 . . . . . . . . 438 E CA . 54023 1 64 . 1 . 1 15 15 GLU CB C 13 29.734 . . . . . . . . 438 E CB . 54023 1 65 . 1 . 1 15 15 GLU N N 15 123.038 . . . . . . . . 438 E N . 54023 1 66 . 1 . 1 16 16 ASN H H 1 8.597 . . . . . . . . 439 N HN . 54023 1 67 . 1 . 1 16 16 ASN C C 13 175.845 . . . . . . . . 439 N C . 54023 1 68 . 1 . 1 16 16 ASN CA C 13 53.580 . . . . . . . . 439 N CA . 54023 1 69 . 1 . 1 16 16 ASN CB C 13 39.112 . . . . . . . . 439 N CB . 54023 1 70 . 1 . 1 16 16 ASN N N 15 119.106 . . . . . . . . 439 N N . 54023 1 71 . 1 . 1 17 17 GLY H H 1 8.284 . . . . . . . . 440 G HN . 54023 1 72 . 1 . 1 17 17 GLY C C 13 173.674 . . . . . . . . 440 G C . 54023 1 73 . 1 . 1 17 17 GLY CA C 13 45.501 . . . . . . . . 440 G CA . 54023 1 74 . 1 . 1 17 17 GLY N N 15 109.279 . . . . . . . . 440 G N . 54023 1 75 . 1 . 1 18 18 ASP H H 1 8.258 . . . . . . . . 441 D HN . 54023 1 76 . 1 . 1 18 18 ASP C C 13 176.233 . . . . . . . . 441 D C . 54023 1 77 . 1 . 1 18 18 ASP CA C 13 54.295 . . . . . . . . 441 D CA . 54023 1 78 . 1 . 1 18 18 ASP CB C 13 41.075 . . . . . . . . 441 D CB . 54023 1 79 . 1 . 1 18 18 ASP N N 15 120.413 . . . . . . . . 441 D N . 54023 1 80 . 1 . 1 19 19 PHE H H 1 8.339 . . . . . . . . 442 F HN . 54023 1 81 . 1 . 1 19 19 PHE C C 13 176.494 . . . . . . . . 442 F C . 54023 1 82 . 1 . 1 19 19 PHE CA C 13 58.146 . . . . . . . . 442 F CA . 54023 1 83 . 1 . 1 19 19 PHE CB C 13 39.185 . . . . . . . . 442 F CB . 54023 1 84 . 1 . 1 19 19 PHE N N 15 121.025 . . . . . . . . 442 F N . 54023 1 85 . 1 . 1 20 20 GLY H H 1 8.375 . . . . . . . . 443 G HN . 54023 1 86 . 1 . 1 20 20 GLY C C 13 173.372 . . . . . . . . 443 G C . 54023 1 87 . 1 . 1 20 20 GLY CA C 13 45.030 . . . . . . . . 443 G CA . 54023 1 88 . 1 . 1 20 20 GLY N N 15 110.242 . . . . . . . . 443 G N . 54023 1 89 . 1 . 1 21 21 ALA H H 1 8.153 . . . . . . . . 444 A HN . 54023 1 90 . 1 . 1 21 21 ALA C C 13 175.634 . . . . . . . . 444 A C . 54023 1 91 . 1 . 1 21 21 ALA CA C 13 50.638 . . . . . . . . 444 A CA . 54023 1 92 . 1 . 1 21 21 ALA CB C 13 17.793 . . . . . . . . 444 A CB . 54023 1 93 . 1 . 1 21 21 ALA N N 15 124.979 . . . . . . . . 444 A N . 54023 1 94 . 1 . 1 23 23 GLN H H 1 8.676 . . . . . . . . 446 Q HN . 54023 1 95 . 1 . 1 23 23 GLN C C 13 175.861 . . . . . . . . 446 Q C . 54023 1 96 . 1 . 1 23 23 GLN CA C 13 55.714 . . . . . . . . 446 Q CA . 54023 1 97 . 1 . 1 23 23 GLN CB C 13 29.429 . . . . . . . . 446 Q CB . 54023 1 98 . 1 . 1 23 23 GLN N N 15 120.969 . . . . . . . . 446 Q N . 54023 1 99 . 1 . 1 24 24 ASN H H 1 8.626 . . . . . . . . 447 N HN . 54023 1 100 . 1 . 1 24 24 ASN C C 13 175.212 . . . . . . . . 447 N C . 54023 1 101 . 1 . 1 24 24 ASN CA C 13 53.427 . . . . . . . . 447 N CA . 54023 1 102 . 1 . 1 24 24 ASN CB C 13 38.911 . . . . . . . . 447 N CB . 54023 1 103 . 1 . 1 24 24 ASN N N 15 120.300 . . . . . . . . 447 N N . 54023 1 104 . 1 . 1 25 25 GLN H H 1 8.593 . . . . . . . . 448 Q HN . 54023 1 105 . 1 . 1 25 25 GLN C C 13 175.563 . . . . . . . . 448 Q C . 54023 1 106 . 1 . 1 25 25 GLN CA C 13 55.868 . . . . . . . . 448 Q CA . 54023 1 107 . 1 . 1 25 25 GLN CB C 13 29.353 . . . . . . . . 448 Q CB . 54023 1 108 . 1 . 1 25 25 GLN N N 15 121.182 . . . . . . . . 448 Q N . 54023 1 109 . 1 . 1 26 26 ASP H H 1 8.472 . . . . . . . . 449 D HN . 54023 1 110 . 1 . 1 26 26 ASP C C 13 175.949 . . . . . . . . 449 D C . 54023 1 111 . 1 . 1 26 26 ASP CA C 13 56.635 . . . . . . . . 449 D CA . 54023 1 112 . 1 . 1 26 26 ASP CB C 13 41.157 . . . . . . . . 449 D CB . 54023 1 113 . 1 . 1 26 26 ASP N N 15 121.849 . . . . . . . . 449 D N . 54023 1 114 . 1 . 1 27 27 GLU H H 1 8.334 . . . . . . . . 450 E HN . 54023 1 115 . 1 . 1 27 27 GLU C C 13 174.451 . . . . . . . . 450 E C . 54023 1 116 . 1 . 1 27 27 GLU CA C 13 54.462 . . . . . . . . 450 E CA . 54023 1 117 . 1 . 1 27 27 GLU CB C 13 29.626 . . . . . . . . 450 E CB . 54023 1 118 . 1 . 1 27 27 GLU N N 15 122.469 . . . . . . . . 450 E N . 54023 1 119 . 1 . 1 29 29 ILE H H 1 8.452 . . . . . . . . 452 I HN . 54023 1 120 . 1 . 1 29 29 ILE C C 13 176.744 . . . . . . . . 452 I C . 54023 1 121 . 1 . 1 29 29 ILE CA C 13 61.238 . . . . . . . . 452 I CA . 54023 1 122 . 1 . 1 29 29 ILE CB C 13 38.635 . . . . . . . . 452 I CB . 54023 1 123 . 1 . 1 29 29 ILE N N 15 122.107 . . . . . . . . 452 I N . 54023 1 124 . 1 . 1 30 30 THR H H 1 8.394 . . . . . . . . 453 T HN . 54023 1 125 . 1 . 1 30 30 THR C C 13 174.157 . . . . . . . . 453 T C . 54023 1 126 . 1 . 1 30 30 THR CA C 13 61.871 . . . . . . . . 453 T CA . 54023 1 127 . 1 . 1 30 30 THR CB C 13 69.872 . . . . . . . . 453 T CB . 54023 1 128 . 1 . 1 30 30 THR N N 15 119.845 . . . . . . . . 453 T N . 54023 1 129 . 1 . 1 31 31 GLU H H 1 8.479 . . . . . . . . 454 E HN . 54023 1 130 . 1 . 1 31 31 GLU C C 13 175.381 . . . . . . . . 454 E C . 54023 1 131 . 1 . 1 31 31 GLU CA C 13 56.395 . . . . . . . . 454 E CA . 54023 1 132 . 1 . 1 31 31 GLU CB C 13 30.470 . . . . . . . . 454 E CB . 54023 1 133 . 1 . 1 31 31 GLU N N 15 123.976 . . . . . . . . 454 E N . 54023 1 134 . 1 . 1 32 32 ASN H H 1 8.448 . . . . . . . . 455 N HN . 54023 1 135 . 1 . 1 32 32 ASN C C 13 174.543 . . . . . . . . 455 N C . 54023 1 136 . 1 . 1 32 32 ASN CA C 13 52.986 . . . . . . . . 455 N CA . 54023 1 137 . 1 . 1 32 32 ASN CB C 13 39.335 . . . . . . . . 455 N CB . 54023 1 138 . 1 . 1 32 32 ASN N N 15 120.146 . . . . . . . . 455 N N . 54023 1 139 . 1 . 1 33 33 PHE H H 1 8.388 . . . . . . . . 456 F HN . 54023 1 140 . 1 . 1 33 33 PHE C C 13 174.878 . . . . . . . . 456 F C . 54023 1 141 . 1 . 1 33 33 PHE CA C 13 57.818 . . . . . . . . 456 F CA . 54023 1 142 . 1 . 1 33 33 PHE CB C 13 39.511 . . . . . . . . 456 F CB . 54023 1 143 . 1 . 1 33 33 PHE N N 15 121.645 . . . . . . . . 456 F N . 54023 1 144 . 1 . 1 34 34 GLU H H 1 7.970 . . . . . . . . 457 E HN . 54023 1 145 . 1 . 1 34 34 GLU C C 13 180.933 . . . . . . . . 457 E C . 54023 1 146 . 1 . 1 34 34 GLU CA C 13 58.078 . . . . . . . . 457 E CA . 54023 1 147 . 1 . 1 34 34 GLU CB C 13 31.020 . . . . . . . . 457 E CB . 54023 1 148 . 1 . 1 34 34 GLU N N 15 126.840 . . . . . . . . 457 E N . 54023 1 stop_ save_