################################### # 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 54017 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'TUBB 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 CBCA(CO)NH' . . . 54017 1 3 '3D HNCACB' . . . 54017 1 4 '3D HNN' . . . 54017 1 5 '3D HNCO' . . . 54017 1 6 '3D HNCACO' . . . 54017 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 . . 54017 1 2 $software_2 . . 54017 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 TYR H H 1 8.503 . . . . . . . . 425 Y HN . 54017 1 2 . 1 . 1 3 3 TYR C C 13 175.812 . . . . . . . . 425 Y C . 54017 1 3 . 1 . 1 3 3 TYR CA C 13 58.443 . . . . . . . . 425 Y CA . 54017 1 4 . 1 . 1 3 3 TYR CB C 13 38.517 . . . . . . . . 425 Y CB . 54017 1 5 . 1 . 1 3 3 TYR N N 15 122.451 . . . . . . . . 425 Y N . 54017 1 6 . 1 . 1 4 4 GLN H H 1 8.293 . . . . . . . . 426 Q HN . 54017 1 7 . 1 . 1 4 4 GLN C C 13 175.245 . . . . . . . . 426 Q C . 54017 1 8 . 1 . 1 4 4 GLN CA C 13 56.042 . . . . . . . . 426 Q CA . 54017 1 9 . 1 . 1 4 4 GLN CB C 13 29.363 . . . . . . . . 426 Q CB . 54017 1 10 . 1 . 1 4 4 GLN N N 15 121.991 . . . . . . . . 426 Q N . 54017 1 11 . 1 . 1 5 5 ASP H H 1 8.229 . . . . . . . . 427 D HN . 54017 1 12 . 1 . 1 5 5 ASP C C 13 176.012 . . . . . . . . 427 D C . 54017 1 13 . 1 . 1 5 5 ASP CA C 13 54.451 . . . . . . . . 427 D CA . 54017 1 14 . 1 . 1 5 5 ASP CB C 13 41.152 . . . . . . . . 427 D CB . 54017 1 15 . 1 . 1 5 5 ASP N N 15 121.407 . . . . . . . . 427 D N . 54017 1 16 . 1 . 1 6 6 ALA H H 1 8.330 . . . . . . . . 428 A HN . 54017 1 17 . 1 . 1 6 6 ALA C C 13 178.052 . . . . . . . . 428 A C . 54017 1 18 . 1 . 1 6 6 ALA CA C 13 52.893 . . . . . . . . 428 A CA . 54017 1 19 . 1 . 1 6 6 ALA CB C 13 19.067 . . . . . . . . 428 A CB . 54017 1 20 . 1 . 1 6 6 ALA N N 15 124.524 . . . . . . . . 428 A N . 54017 1 21 . 1 . 1 7 7 THR H H 1 8.270 . . . . . . . . 429 T HN . 54017 1 22 . 1 . 1 7 7 THR C C 13 178.042 . . . . . . . . 429 T C . 54017 1 23 . 1 . 1 7 7 THR CA C 13 62.107 . . . . . . . . 429 T CA . 54017 1 24 . 1 . 1 7 7 THR CB C 13 70.021 . . . . . . . . 429 T CB . 54017 1 25 . 1 . 1 7 7 THR N N 15 113.274 . . . . . . . . 429 T N . 54017 1 26 . 1 . 1 8 8 ALA H H 1 8.300 . . . . . . . . 430 A HN . 54017 1 27 . 1 . 1 8 8 ALA C C 13 177.756 . . . . . . . . 430 A C . 54017 1 28 . 1 . 1 8 8 ALA CA C 13 52.649 . . . . . . . . 430 A CA . 54017 1 29 . 1 . 1 8 8 ALA CB C 13 19.166 . . . . . . . . 430 A CB . 54017 1 30 . 1 . 1 8 8 ALA N N 15 126.488 . . . . . . . . 430 A N . 54017 1 31 . 1 . 1 9 9 GLU H H 1 8.435 . . . . . . . . 431 E HN . 54017 1 32 . 1 . 1 9 9 GLU C C 13 176.599 . . . . . . . . 431 E C . 54017 1 33 . 1 . 1 9 9 GLU CA C 13 56.725 . . . . . . . . 431 E CA . 54017 1 34 . 1 . 1 9 9 GLU CB C 13 30.171 . . . . . . . . 431 E CB . 54017 1 35 . 1 . 1 9 9 GLU N N 15 120.326 . . . . . . . . 431 E N . 54017 1 36 . 1 . 1 10 10 GLU H H 1 8.433 . . . . . . . . 432 E HN . 54017 1 37 . 1 . 1 10 10 GLU C C 13 176.450 . . . . . . . . 432 E C . 54017 1 38 . 1 . 1 10 10 GLU CA C 13 56.566 . . . . . . . . 432 E CA . 54017 1 39 . 1 . 1 10 10 GLU CB C 13 30.306 . . . . . . . . 432 E CB . 54017 1 40 . 1 . 1 10 10 GLU N N 15 121.677 . . . . . . . . 432 E N . 54017 1 41 . 1 . 1 11 11 GLU H H 1 8.476 . . . . . . . . 433 E HN . 54017 1 42 . 1 . 1 11 11 GLU C C 13 176.398 . . . . . . . . 433 E C . 54017 1 43 . 1 . 1 11 11 GLU CA C 13 56.455 . . . . . . . . 433 E CA . 54017 1 44 . 1 . 1 11 11 GLU CB C 13 30.397 . . . . . . . . 433 E CB . 54017 1 45 . 1 . 1 11 11 GLU N N 15 122.398 . . . . . . . . 433 E N . 54017 1 46 . 1 . 1 12 12 GLU H H 1 8.487 . . . . . . . . 434 E HN . 54017 1 47 . 1 . 1 12 12 GLU C C 13 175.545 . . . . . . . . 434 E C . 54017 1 48 . 1 . 1 12 12 GLU CA C 13 56.534 . . . . . . . . 434 E CA . 54017 1 49 . 1 . 1 12 12 GLU CB C 13 30.436 . . . . . . . . 434 E CB . 54017 1 50 . 1 . 1 12 12 GLU N N 15 122.832 . . . . . . . . 434 E N . 54017 1 51 . 1 . 1 13 13 ASP H H 1 8.387 . . . . . . . . 435 D HN . 54017 1 52 . 1 . 1 13 13 ASP C C 13 175.922 . . . . . . . . 435 D C . 54017 1 53 . 1 . 1 13 13 ASP CA C 13 53.784 . . . . . . . . 435 D CA . 54017 1 54 . 1 . 1 13 13 ASP CB C 13 41.306 . . . . . . . . 435 D CB . 54017 1 55 . 1 . 1 13 13 ASP N N 15 122.024 . . . . . . . . 435 D N . 54017 1 56 . 1 . 1 14 14 PHE H H 1 8.434 . . . . . . . . 436 F HN . 54017 1 57 . 1 . 1 14 14 PHE C C 13 176.506 . . . . . . . . 436 F C . 54017 1 58 . 1 . 1 14 14 PHE CA C 13 57.996 . . . . . . . . 436 F CA . 54017 1 59 . 1 . 1 14 14 PHE CB C 13 39.336 . . . . . . . . 436 F CB . 54017 1 60 . 1 . 1 14 14 PHE N N 15 122.292 . . . . . . . . 436 F N . 54017 1 61 . 1 . 1 15 15 GLY H H 1 8.485 . . . . . . . . 437 G HN . 54017 1 62 . 1 . 1 15 15 GLY C C 13 173.967 . . . . . . . . 437 G C . 54017 1 63 . 1 . 1 15 15 GLY CA C 13 45.345 . . . . . . . . 437 G CA . 54017 1 64 . 1 . 1 15 15 GLY N N 15 110.471 . . . . . . . . 437 G N . 54017 1 65 . 1 . 1 16 16 GLU H H 1 8.347 . . . . . . . . 438 E HN . 54017 1 66 . 1 . 1 16 16 GLU C C 13 176.590 . . . . . . . . 438 E C . 54017 1 67 . 1 . 1 16 16 GLU CA C 13 56.359 . . . . . . . . 438 E CA . 54017 1 68 . 1 . 1 16 16 GLU CB C 13 30.430 . . . . . . . . 438 E CB . 54017 1 69 . 1 . 1 16 16 GLU N N 15 120.711 . . . . . . . . 438 E N . 54017 1 70 . 1 . 1 17 17 GLU H H 1 8.617 . . . . . . . . 439 E HN . 54017 1 71 . 1 . 1 17 17 GLU C C 13 176.139 . . . . . . . . 439 E C . 54017 1 72 . 1 . 1 17 17 GLU CA C 13 56.442 . . . . . . . . 439 E CA . 54017 1 73 . 1 . 1 17 17 GLU CB C 13 30.270 . . . . . . . . 439 E CB . 54017 1 74 . 1 . 1 17 17 GLU N N 15 122.672 . . . . . . . . 439 E N . 54017 1 75 . 1 . 1 18 18 ALA H H 1 8.470 . . . . . . . . 440 A HN . 54017 1 76 . 1 . 1 18 18 ALA C C 13 177.671 . . . . . . . . 440 A C . 54017 1 77 . 1 . 1 18 18 ALA CA C 13 52.323 . . . . . . . . 440 A CA . 54017 1 78 . 1 . 1 18 18 ALA CB C 13 19.301 . . . . . . . . 440 A CB . 54017 1 79 . 1 . 1 18 18 ALA N N 15 126.046 . . . . . . . . 440 A N . 54017 1 80 . 1 . 1 19 19 GLU H H 1 8.515 . . . . . . . . 441 E HN . 54017 1 81 . 1 . 1 19 19 GLU C C 13 176.508 . . . . . . . . 441 E C . 54017 1 82 . 1 . 1 19 19 GLU CA C 13 56.379 . . . . . . . . 441 E CA . 54017 1 83 . 1 . 1 19 19 GLU CB C 13 30.387 . . . . . . . . 441 E CB . 54017 1 84 . 1 . 1 19 19 GLU N N 15 121.290 . . . . . . . . 441 E N . 54017 1 85 . 1 . 1 20 20 GLU H H 1 8.565 . . . . . . . . 442 E HN . 54017 1 86 . 1 . 1 20 20 GLU C C 13 176.363 . . . . . . . . 442 E C . 54017 1 87 . 1 . 1 20 20 GLU CA C 13 56.454 . . . . . . . . 442 E CA . 54017 1 88 . 1 . 1 20 20 GLU CB C 13 30.463 . . . . . . . . 442 E CB . 54017 1 89 . 1 . 1 20 20 GLU N N 15 122.865 . . . . . . . . 442 E N . 54017 1 90 . 1 . 1 21 21 GLU H H 1 8.582 . . . . . . . . 443 E HN . 54017 1 91 . 1 . 1 21 21 GLU C C 13 175.248 . . . . . . . . 443 E C . 54017 1 92 . 1 . 1 21 21 GLU CA C 13 56.526 . . . . . . . . 443 E CA . 54017 1 93 . 1 . 1 21 21 GLU CB C 13 30.376 . . . . . . . . 443 E CB . 54017 1 94 . 1 . 1 21 21 GLU N N 15 123.528 . . . . . . . . 443 E N . 54017 1 95 . 1 . 1 22 22 ALA H H 1 8.138 . . . . . . . . 444 A HN . 54017 1 96 . 1 . 1 22 22 ALA C C 13 175.258 . . . . . . . . 444 A C . 54017 1 97 . 1 . 1 22 22 ALA CA C 13 53.942 . . . . . . . . 444 A CA . 54017 1 98 . 1 . 1 22 22 ALA CB C 13 19.906 . . . . . . . . 444 A CB . 54017 1 99 . 1 . 1 22 22 ALA N N 15 111.674 . . . . . . . . 444 A N . 54017 1 stop_ save_