################################### # 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 54022 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Tub1p 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' . . . 54022 1 3 '3D HNCACB' . . . 54022 1 4 '3D HNN' . . . 54022 1 5 '3D HNCO' . . . 54022 1 6 '3D HNCACO' . . . 54022 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 . . 54022 1 2 $software_2 . . 54022 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 4 4 ASP H H 1 8.271 . . . . . . . . 432 D HN . 54022 1 2 . 1 . 1 4 4 ASP C C 13 175.646 . . . . . . . . 432 D C . 54022 1 3 . 1 . 1 4 4 ASP CA C 13 54.816 . . . . . . . . 432 D CA . 54022 1 4 . 1 . 1 4 4 ASP CB C 13 41.046 . . . . . . . . 432 D CB . 54022 1 5 . 1 . 1 4 4 ASP N N 15 121.111 . . . . . . . . 432 D N . 54022 1 6 . 1 . 1 5 5 TYR H H 1 8.051 . . . . . . . . 433 Y HN . 54022 1 7 . 1 . 1 5 5 TYR C C 13 175.599 . . . . . . . . 433 Y C . 54022 1 8 . 1 . 1 5 5 TYR CA C 13 57.891 . . . . . . . . 433 Y CA . 54022 1 9 . 1 . 1 5 5 TYR CB C 13 38.681 . . . . . . . . 433 Y CB . 54022 1 10 . 1 . 1 5 5 TYR N N 15 119.843 . . . . . . . . 433 Y N . 54022 1 11 . 1 . 1 6 6 ILE H H 1 7.927 . . . . . . . . 434 I HN . 54022 1 12 . 1 . 1 6 6 ILE C C 13 175.130 . . . . . . . . 434 I C . 54022 1 13 . 1 . 1 6 6 ILE CA C 13 60.679 . . . . . . . . 434 I CA . 54022 1 14 . 1 . 1 6 6 ILE CB C 13 38.810 . . . . . . . . 434 I CB . 54022 1 15 . 1 . 1 6 6 ILE N N 15 123.844 . . . . . . . . 434 I N . 54022 1 16 . 1 . 1 7 7 GLU H H 1 8.425 . . . . . . . . 435 E HN . 54022 1 17 . 1 . 1 7 7 GLU C C 13 175.455 . . . . . . . . 435 E C . 54022 1 18 . 1 . 1 7 7 GLU CA C 13 56.327 . . . . . . . . 435 E CA . 54022 1 19 . 1 . 1 7 7 GLU CB C 13 30.244 . . . . . . . . 435 E CB . 54022 1 20 . 1 . 1 7 7 GLU N N 15 125.752 . . . . . . . . 435 E N . 54022 1 21 . 1 . 1 8 8 VAL H H 1 8.325 . . . . . . . . 436 V HN . 54022 1 22 . 1 . 1 8 8 VAL C C 13 176.329 . . . . . . . . 436 V C . 54022 1 23 . 1 . 1 8 8 VAL CA C 13 62.753 . . . . . . . . 436 V CA . 54022 1 24 . 1 . 1 8 8 VAL CB C 13 32.570 . . . . . . . . 436 V CB . 54022 1 25 . 1 . 1 8 8 VAL N N 15 122.521 . . . . . . . . 436 V N . 54022 1 26 . 1 . 1 9 9 GLY H H 1 8.609 . . . . . . . . 437 G HN . 54022 1 27 . 1 . 1 9 9 GLY C C 13 176.821 . . . . . . . . 437 G C . 54022 1 28 . 1 . 1 9 9 GLY CA C 13 45.155 . . . . . . . . 437 G CA . 54022 1 29 . 1 . 1 9 9 GLY N N 15 113.171 . . . . . . . . 437 G N . 54022 1 30 . 1 . 1 10 10 ALA H H 1 8.251 . . . . . . . . 438 A HN . 54022 1 31 . 1 . 1 10 10 ALA C C 13 174.009 . . . . . . . . 438 A C . 54022 1 32 . 1 . 1 10 10 ALA CA C 13 52.689 . . . . . . . . 438 A CA . 54022 1 33 . 1 . 1 10 10 ALA CB C 13 19.359 . . . . . . . . 438 A CB . 54022 1 34 . 1 . 1 10 10 ALA N N 15 123.914 . . . . . . . . 438 A N . 54022 1 35 . 1 . 1 11 11 ASP H H 1 8.455 . . . . . . . . 439 D HN . 54022 1 36 . 1 . 1 11 11 ASP C C 13 177.702 . . . . . . . . 439 D C . 54022 1 37 . 1 . 1 11 11 ASP CA C 13 54.387 . . . . . . . . 439 D CA . 54022 1 38 . 1 . 1 11 11 ASP CB C 13 40.978 . . . . . . . . 439 D CB . 54022 1 39 . 1 . 1 11 11 ASP N N 15 119.155 . . . . . . . . 439 D N . 54022 1 40 . 1 . 1 12 12 SER H H 1 8.112 . . . . . . . . 440 S HN . 54022 1 41 . 1 . 1 12 12 SER C C 13 176.216 . . . . . . . . 440 S C . 54022 1 42 . 1 . 1 12 12 SER CA C 13 58.372 . . . . . . . . 440 S CA . 54022 1 43 . 1 . 1 12 12 SER CB C 13 63.946 . . . . . . . . 440 S CB . 54022 1 44 . 1 . 1 12 12 SER N N 15 115.589 . . . . . . . . 440 S N . 54022 1 45 . 1 . 1 13 13 TYR H H 1 8.235 . . . . . . . . 441 Y HN . 54022 1 46 . 1 . 1 13 13 TYR C C 13 173.950 . . . . . . . . 441 Y C . 54022 1 47 . 1 . 1 13 13 TYR CA C 13 57.985 . . . . . . . . 441 Y CA . 54022 1 48 . 1 . 1 13 13 TYR CB C 13 38.796 . . . . . . . . 441 Y CB . 54022 1 49 . 1 . 1 13 13 TYR N N 15 122.392 . . . . . . . . 441 Y N . 54022 1 50 . 1 . 1 14 14 ALA H H 1 8.154 . . . . . . . . 442 A HN . 54022 1 51 . 1 . 1 14 14 ALA C C 13 175.267 . . . . . . . . 442 A C . 54022 1 52 . 1 . 1 14 14 ALA CA C 13 52.162 . . . . . . . . 442 A CA . 54022 1 53 . 1 . 1 14 14 ALA CB C 13 19.490 . . . . . . . . 442 A CB . 54022 1 54 . 1 . 1 14 14 ALA N N 15 126.471 . . . . . . . . 442 A N . 54022 1 55 . 1 . 1 15 15 GLU H H 1 8.369 . . . . . . . . 443 E HN . 54022 1 56 . 1 . 1 15 15 GLU C C 13 177.143 . . . . . . . . 443 E C . 54022 1 57 . 1 . 1 15 15 GLU CA C 13 56.509 . . . . . . . . 443 E CA . 54022 1 58 . 1 . 1 15 15 GLU CB C 13 30.270 . . . . . . . . 443 E CB . 54022 1 59 . 1 . 1 15 15 GLU N N 15 120.768 . . . . . . . . 443 E N . 54022 1 60 . 1 . 1 16 16 GLU H H 1 8.495 . . . . . . . . 444 E HN . 54022 1 61 . 1 . 1 16 16 GLU C C 13 176.523 . . . . . . . . 444 E C . 54022 1 62 . 1 . 1 16 16 GLU CA C 13 56.463 . . . . . . . . 444 E CA . 54022 1 63 . 1 . 1 16 16 GLU CB C 13 30.360 . . . . . . . . 444 E CB . 54022 1 64 . 1 . 1 16 16 GLU N N 15 122.075 . . . . . . . . 444 E N . 54022 1 65 . 1 . 1 17 17 GLU H H 1 8.469 . . . . . . . . 445 E HN . 54022 1 66 . 1 . 1 17 17 GLU C C 13 176.342 . . . . . . . . 445 E C . 54022 1 67 . 1 . 1 17 17 GLU CA C 13 56.415 . . . . . . . . 445 E CA . 54022 1 68 . 1 . 1 17 17 GLU CB C 13 30.525 . . . . . . . . 445 E CB . 54022 1 69 . 1 . 1 17 17 GLU N N 15 122.621 . . . . . . . . 445 E N . 54022 1 70 . 1 . 1 18 18 GLU H H 1 8.412 . . . . . . . . 446 E HN . 54022 1 71 . 1 . 1 18 18 GLU C C 13 175.983 . . . . . . . . 446 E C . 54022 1 72 . 1 . 1 18 18 GLU CA C 13 56.413 . . . . . . . . 446 E CA . 54022 1 73 . 1 . 1 18 18 GLU CB C 13 30.639 . . . . . . . . 446 E CB . 54022 1 74 . 1 . 1 18 18 GLU N N 15 122.893 . . . . . . . . 446 E N . 54022 1 75 . 1 . 1 19 19 PHE H H 1 7.874 . . . . . . . . 447 F HN . 54022 1 76 . 1 . 1 19 19 PHE C C 13 175.121 . . . . . . . . 447 F C . 54022 1 77 . 1 . 1 19 19 PHE CA C 13 59.072 . . . . . . . . 447 F CA . 54022 1 78 . 1 . 1 19 19 PHE CB C 13 40.364 . . . . . . . . 447 F CB . 54022 1 79 . 1 . 1 19 19 PHE N N 15 126.343 . . . . . . . . 447 F N . 54022 1 stop_ save_