################################### # 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 54024 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'TUBA1A 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' . . . 54024 1 3 '3D HNCACB' . . . 54024 1 4 '3D HNCO' . . . 54024 1 5 '3D HNCACO' . . . 54024 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 . . 54024 1 2 $software_2 . . 54024 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 GLU H H 1 8.896 . . . . . . . . 429 E HN . 54024 1 2 . 1 . 1 3 3 GLU C C 13 176.630 . . . . . . . . 429 E C . 54024 1 3 . 1 . 1 3 3 GLU CA C 13 57.330 . . . . . . . . 429 E CA . 54024 1 4 . 1 . 1 3 3 GLU CB C 13 29.534 . . . . . . . . 429 E CB . 54024 1 5 . 1 . 1 3 3 GLU N N 15 122.957 . . . . . . . . 429 E N . 54024 1 6 . 1 . 1 4 4 LYS H H 1 8.328 . . . . . . . . 430 K HN . 54024 1 7 . 1 . 1 4 4 LYS C C 13 176.239 . . . . . . . . 430 K C . 54024 1 8 . 1 . 1 4 4 LYS CA C 13 56.257 . . . . . . . . 430 K CA . 54024 1 9 . 1 . 1 4 4 LYS CB C 13 32.981 . . . . . . . . 430 K CB . 54024 1 10 . 1 . 1 4 4 LYS N N 15 121.260 . . . . . . . . 430 K N . 54024 1 11 . 1 . 1 5 5 ASP H H 1 8.285 . . . . . . . . 431 D HN . 54024 1 12 . 1 . 1 5 5 ASP C C 13 175.882 . . . . . . . . 431 D C . 54024 1 13 . 1 . 1 5 5 ASP CA C 13 54.700 . . . . . . . . 431 D CA . 54024 1 14 . 1 . 1 5 5 ASP CB C 13 40.858 . . . . . . . . 431 D CB . 54024 1 15 . 1 . 1 5 5 ASP N N 15 121.393 . . . . . . . . 431 D N . 54024 1 16 . 1 . 1 6 6 TYR H H 1 7.990 . . . . . . . . 432 Y HN . 54024 1 17 . 1 . 1 6 6 TYR C C 13 175.424 . . . . . . . . 432 Y C . 54024 1 18 . 1 . 1 6 6 TYR CA C 13 57.882 . . . . . . . . 432 Y CA . 54024 1 19 . 1 . 1 6 6 TYR CB C 13 38.753 . . . . . . . . 432 Y CB . 54024 1 20 . 1 . 1 6 6 TYR N N 15 119.523 . . . . . . . . 432 Y N . 54024 1 21 . 1 . 1 7 7 GLU H H 1 8.186 . . . . . . . . 433 E HN . 54024 1 22 . 1 . 1 7 7 GLU C C 13 175.809 . . . . . . . . 433 E C . 54024 1 23 . 1 . 1 7 7 GLU CA C 13 56.189 . . . . . . . . 433 E CA . 54024 1 24 . 1 . 1 7 7 GLU CB C 13 30.682 . . . . . . . . 433 E CB . 54024 1 25 . 1 . 1 7 7 GLU N N 15 122.603 . . . . . . . . 433 E N . 54024 1 26 . 1 . 1 8 8 GLU H H 1 8.420 . . . . . . . . 434 E HN . 54024 1 27 . 1 . 1 8 8 GLU C C 13 176.357 . . . . . . . . 434 E C . 54024 1 28 . 1 . 1 8 8 GLU CA C 13 56.325 . . . . . . . . 434 E CA . 54024 1 29 . 1 . 1 8 8 GLU CB C 13 30.403 . . . . . . . . 434 E CB . 54024 1 30 . 1 . 1 8 8 GLU N N 15 122.786 . . . . . . . . 434 E N . 54024 1 31 . 1 . 1 9 9 VAL H H 1 8.342 . . . . . . . . 435 V HN . 54024 1 32 . 1 . 1 9 9 VAL C C 13 176.716 . . . . . . . . 435 V C . 54024 1 33 . 1 . 1 9 9 VAL CA C 13 62.520 . . . . . . . . 435 V CA . 54024 1 34 . 1 . 1 9 9 VAL CB C 13 32.697 . . . . . . . . 435 V CB . 54024 1 35 . 1 . 1 9 9 VAL N N 15 122.252 . . . . . . . . 435 V N . 54024 1 36 . 1 . 1 10 10 GLY H H 1 8.623 . . . . . . . . 436 G HN . 54024 1 37 . 1 . 1 10 10 GLY C C 13 174.092 . . . . . . . . 436 G C . 54024 1 38 . 1 . 1 10 10 GLY CA C 13 45.249 . . . . . . . . 436 G CA . 54024 1 39 . 1 . 1 10 10 GLY N N 15 113.099 . . . . . . . . 436 G N . 54024 1 40 . 1 . 1 11 11 VAL H H 1 8.130 . . . . . . . . 437 V HN . 54024 1 41 . 1 . 1 11 11 VAL C C 13 176.016 . . . . . . . . 437 V C . 54024 1 42 . 1 . 1 11 11 VAL CA C 13 62.125 . . . . . . . . 437 V CA . 54024 1 43 . 1 . 1 11 11 VAL CB C 13 32.926 . . . . . . . . 437 V CB . 54024 1 44 . 1 . 1 11 11 VAL N N 15 119.208 . . . . . . . . 437 V N . 54024 1 45 . 1 . 1 12 12 ASP H H 1 8.544 . . . . . . . . 438 D HN . 54024 1 46 . 1 . 1 12 12 ASP C C 13 176.128 . . . . . . . . 438 D C . 54024 1 47 . 1 . 1 12 12 ASP CA C 13 54.408 . . . . . . . . 438 D CA . 54024 1 48 . 1 . 1 12 12 ASP CB C 13 41.181 . . . . . . . . 438 D CB . 54024 1 49 . 1 . 1 12 12 ASP N N 15 124.047 . . . . . . . . 438 D N . 54024 1 50 . 1 . 1 13 13 SER H H 1 8.307 . . . . . . . . 439 S HN . 54024 1 51 . 1 . 1 13 13 SER C C 13 174.408 . . . . . . . . 439 S C . 54024 1 52 . 1 . 1 13 13 SER CA C 13 58.238 . . . . . . . . 439 S CA . 54024 1 53 . 1 . 1 13 13 SER CB C 13 63.957 . . . . . . . . 439 S CB . 54024 1 54 . 1 . 1 13 13 SER N N 15 116.543 . . . . . . . . 439 S N . 54024 1 55 . 1 . 1 14 14 VAL H H 1 8.357 . . . . . . . . 440 V HN . 54024 1 56 . 1 . 1 14 14 VAL C C 13 176.287 . . . . . . . . 440 V C . 54024 1 57 . 1 . 1 14 14 VAL CA C 13 62.134 . . . . . . . . 440 V CA . 54024 1 58 . 1 . 1 14 14 VAL CB C 13 33.065 . . . . . . . . 440 V CB . 54024 1 59 . 1 . 1 14 14 VAL N N 15 122.409 . . . . . . . . 440 V N . 54024 1 60 . 1 . 1 15 15 GLU H H 1 8.610 . . . . . . . . 441 E HN . 54024 1 61 . 1 . 1 15 15 GLU C C 13 177.007 . . . . . . . . 441 E C . 54024 1 62 . 1 . 1 15 15 GLU CA C 13 56.776 . . . . . . . . 441 E CA . 54024 1 63 . 1 . 1 15 15 GLU CB C 13 30.403 . . . . . . . . 441 E CB . 54024 1 64 . 1 . 1 15 15 GLU N N 15 125.435 . . . . . . . . 441 E N . 54024 1 65 . 1 . 1 16 16 GLY H H 1 8.575 . . . . . . . . 442 G HN . 54024 1 66 . 1 . 1 16 16 GLY C C 13 174.106 . . . . . . . . 442 G C . 54024 1 67 . 1 . 1 16 16 GLY CA C 13 45.202 . . . . . . . . 442 G CA . 54024 1 68 . 1 . 1 16 16 GLY N N 15 110.914 . . . . . . . . 442 G N . 54024 1 69 . 1 . 1 17 17 GLU H H 1 8.382 . . . . . . . . 443 E HN . 54024 1 70 . 1 . 1 17 17 GLU C C 13 177.103 . . . . . . . . 443 E C . 54024 1 71 . 1 . 1 17 17 GLU CA C 13 56.506 . . . . . . . . 443 E CA . 54024 1 72 . 1 . 1 17 17 GLU CB C 13 30.489 . . . . . . . . 443 E CB . 54024 1 73 . 1 . 1 17 17 GLU N N 15 120.620 . . . . . . . . 443 E N . 54024 1 74 . 1 . 1 18 18 GLY H H 1 8.617 . . . . . . . . 444 G HN . 54024 1 75 . 1 . 1 18 18 GLY C C 13 174.073 . . . . . . . . 444 G C . 54024 1 76 . 1 . 1 18 18 GLY CA C 13 45.224 . . . . . . . . 444 G CA . 54024 1 77 . 1 . 1 18 18 GLY N N 15 110.483 . . . . . . . . 444 G N . 54024 1 78 . 1 . 1 19 19 GLU H H 1 8.391 . . . . . . . . 445 E HN . 54024 1 79 . 1 . 1 19 19 GLU C C 13 176.617 . . . . . . . . 445 E C . 54024 1 80 . 1 . 1 19 19 GLU CA C 13 56.277 . . . . . . . . 445 E CA . 54024 1 81 . 1 . 1 19 19 GLU CB C 13 30.478 . . . . . . . . 445 E CB . 54024 1 82 . 1 . 1 19 19 GLU N N 15 120.644 . . . . . . . . 445 E N . 54024 1 83 . 1 . 1 20 20 GLU H H 1 8.657 . . . . . . . . 446 E HN . 54024 1 84 . 1 . 1 20 20 GLU C C 13 176.568 . . . . . . . . 446 E C . 54024 1 85 . 1 . 1 20 20 GLU CA C 13 56.437 . . . . . . . . 446 E CA . 54024 1 86 . 1 . 1 20 20 GLU CB C 13 30.295 . . . . . . . . 446 E CB . 54024 1 87 . 1 . 1 20 20 GLU N N 15 122.411 . . . . . . . . 446 E N . 54024 1 88 . 1 . 1 21 21 GLU H H 1 8.631 . . . . . . . . 447 E HN . 54024 1 89 . 1 . 1 21 21 GLU C C 13 176.965 . . . . . . . . 447 E C . 54024 1 90 . 1 . 1 21 21 GLU CA C 13 56.633 . . . . . . . . 447 E CA . 54024 1 91 . 1 . 1 21 21 GLU CB C 13 30.352 . . . . . . . . 447 E CB . 54024 1 92 . 1 . 1 21 21 GLU N N 15 122.985 . . . . . . . . 447 E N . 54024 1 93 . 1 . 1 22 22 GLY H H 1 8.545 . . . . . . . . 448 G HN . 54024 1 94 . 1 . 1 22 22 GLY C C 13 173.859 . . . . . . . . 448 G C . 54024 1 95 . 1 . 1 22 22 GLY CA C 13 45.099 . . . . . . . . 448 G CA . 54024 1 96 . 1 . 1 22 22 GLY N N 15 110.484 . . . . . . . . 448 G N . 54024 1 97 . 1 . 1 23 23 GLU H H 1 8.343 . . . . . . . . 449 E HN . 54024 1 98 . 1 . 1 23 23 GLU C C 13 176.211 . . . . . . . . 449 E C . 54024 1 99 . 1 . 1 23 23 GLU CA C 13 56.258 . . . . . . . . 449 E CA . 54024 1 100 . 1 . 1 23 23 GLU CB C 13 30.589 . . . . . . . . 449 E CB . 54024 1 101 . 1 . 1 23 23 GLU N N 15 120.555 . . . . . . . . 449 E N . 54024 1 102 . 1 . 1 24 24 GLU H H 1 8.502 . . . . . . . . 450 E HN . 54024 1 103 . 1 . 1 24 24 GLU C C 13 175.156 . . . . . . . . 450 E C . 54024 1 104 . 1 . 1 24 24 GLU CA C 13 56.377 . . . . . . . . 450 E CA . 54024 1 105 . 1 . 1 24 24 GLU CB C 13 30.544 . . . . . . . . 450 E CB . 54024 1 106 . 1 . 1 24 24 GLU N N 15 122.361 . . . . . . . . 450 E N . 54024 1 107 . 1 . 1 25 25 TYR H H 1 7.833 . . . . . . . . 451 Y HN . 54024 1 108 . 1 . 1 25 25 TYR C C 13 170.659 . . . . . . . . 451 Y C . 54024 1 109 . 1 . 1 25 25 TYR CA C 13 59.179 . . . . . . . . 451 Y CA . 54024 1 110 . 1 . 1 25 25 TYR CB C 13 39.488 . . . . . . . . 451 Y CB . 54024 1 111 . 1 . 1 25 25 TYR N N 15 126.422 . . . . . . . . 451 Y N . 54024 1 stop_ save_