################################### # 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 53303 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'DNAJB1 J-domain' _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 1 '2D 1H-15N HSQC' . . . 53303 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 . . 53303 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 2 2 GLY H H 1 7.97436 . . 1 . . . . . 2 GLY H . 53303 1 2 . 1 . 1 2 2 GLY N N 15 109.05788 . . 1 . . . . . 2 GLY N . 53303 1 3 . 1 . 1 3 3 LYS H H 1 8.35005 . . 1 . . . . . 3 LYS H . 53303 1 4 . 1 . 1 3 3 LYS N N 15 122.27003 . . 1 . . . . . 3 LYS N . 53303 1 5 . 1 . 1 4 4 ASP H H 1 8.28397 . . 1 . . . . . 4 ASP H . 53303 1 6 . 1 . 1 4 4 ASP N N 15 121.34604 . . 1 . . . . . 4 ASP N . 53303 1 7 . 1 . 1 6 6 TYR H H 1 7.72838 . . 1 . . . . . 6 TYR H . 53303 1 8 . 1 . 1 6 6 TYR N N 15 115.07128 . . 1 . . . . . 6 TYR N . 53303 1 9 . 1 . 1 7 7 GLN H H 1 7.70669 . . 1 . . . . . 7 GLN H . 53303 1 10 . 1 . 1 7 7 GLN N N 15 121.73131 . . 1 . . . . . 7 GLN N . 53303 1 11 . 1 . 1 8 8 THR H H 1 8.12043 . . 1 . . . . . 8 THR H . 53303 1 12 . 1 . 1 8 8 THR N N 15 118.56608 . . 1 . . . . . 8 THR N . 53303 1 13 . 1 . 1 9 9 LEU H H 1 6.89165 . . 1 . . . . . 9 LEU H . 53303 1 14 . 1 . 1 9 9 LEU N N 15 116.51464 . . 1 . . . . . 9 LEU N . 53303 1 15 . 1 . 1 10 10 GLY H H 1 7.91238 . . 1 . . . . . 10 GLY H . 53303 1 16 . 1 . 1 10 10 GLY N N 15 109.99829 . . 1 . . . . . 10 GLY N . 53303 1 17 . 1 . 1 11 11 LEU H H 1 7.9905 . . 1 . . . . . 11 LEU H . 53303 1 18 . 1 . 1 11 11 LEU N N 15 120.25463 . . 1 . . . . . 11 LEU N . 53303 1 19 . 1 . 1 13 13 ARG H H 1 7.85057 . . 1 . . . . . 13 ARG H . 53303 1 20 . 1 . 1 13 13 ARG N N 15 118.58831 . . 1 . . . . . 13 ARG N . 53303 1 21 . 1 . 1 14 14 GLY H H 1 7.61567 . . 1 . . . . . 14 GLY H . 53303 1 22 . 1 . 1 14 14 GLY N N 15 109.05611 . . 1 . . . . . 14 GLY N . 53303 1 23 . 1 . 1 15 15 ALA H H 1 7.08897 . . 1 . . . . . 15 ALA H . 53303 1 24 . 1 . 1 15 15 ALA N N 15 122.63999 . . 1 . . . . . 15 ALA N . 53303 1 25 . 1 . 1 16 16 SER H H 1 8.87156 . . 1 . . . . . 16 SER H . 53303 1 26 . 1 . 1 16 16 SER N N 15 118.88246 . . 1 . . . . . 16 SER N . 53303 1 27 . 1 . 1 17 17 ASP H H 1 8.73428 . . 1 . . . . . 17 ASP H . 53303 1 28 . 1 . 1 17 17 ASP N N 15 120.96134 . . 1 . . . . . 17 ASP N . 53303 1 29 . 1 . 1 18 18 GLU H H 1 8.49873 . . 1 . . . . . 18 GLU H . 53303 1 30 . 1 . 1 18 18 GLU N N 15 119.87188 . . 1 . . . . . 18 GLU N . 53303 1 31 . 1 . 1 20 20 ILE H H 1 8.30988 . . 1 . . . . . 20 ILE H . 53303 1 32 . 1 . 1 20 20 ILE N N 15 122.6312 . . 1 . . . . . 20 ILE N . 53303 1 33 . 1 . 1 21 21 LYS H H 1 7.84794 . . 1 . . . . . 21 LYS H . 53303 1 34 . 1 . 1 21 21 LYS N N 15 119.93115 . . 1 . . . . . 21 LYS N . 53303 1 35 . 1 . 1 23 23 ALA H H 1 8.31174 . . 1 . . . . . 23 ALA H . 53303 1 36 . 1 . 1 23 23 ALA N N 15 123.31899 . . 1 . . . . . 23 ALA N . 53303 1 37 . 1 . 1 24 24 TYR H H 1 8.33605 . . 1 . . . . . 24 TYR H . 53303 1 38 . 1 . 1 24 24 TYR N N 15 118.40678 . . 1 . . . . . 24 TYR N . 53303 1 39 . 1 . 1 25 25 ARG H H 1 7.80056 . . 1 . . . . . 25 ARG H . 53303 1 40 . 1 . 1 25 25 ARG N N 15 117.9191 . . 1 . . . . . 25 ARG N . 53303 1 41 . 1 . 1 27 27 GLN H H 1 8.31895 . . 1 . . . . . 27 GLN H . 53303 1 42 . 1 . 1 27 27 GLN N N 15 118.87702 . . 1 . . . . . 27 GLN N . 53303 1 43 . 1 . 1 28 28 ALA H H 1 8.93086 . . 1 . . . . . 28 ALA H . 53303 1 44 . 1 . 1 28 28 ALA N N 15 122.79724 . . 1 . . . . . 28 ALA N . 53303 1 45 . 1 . 1 29 29 LEU H H 1 7.17106 . . 1 . . . . . 29 LEU H . 53303 1 46 . 1 . 1 29 29 LEU N N 15 116.01572 . . 1 . . . . . 29 LEU N . 53303 1 47 . 1 . 1 30 30 ARG H H 1 7.10556 . . 1 . . . . . 30 ARG H . 53303 1 48 . 1 . 1 30 30 ARG N N 15 117.26266 . . 1 . . . . . 30 ARG N . 53303 1 49 . 1 . 1 31 31 TYR H H 1 7.5283 . . 1 . . . . . 31 TYR H . 53303 1 50 . 1 . 1 31 31 TYR N N 15 114.62693 . . 1 . . . . . 31 TYR N . 53303 1 51 . 1 . 1 32 32 HIS H H 1 7.40655 . . 1 . . . . . 32 HIS H . 53303 1 52 . 1 . 1 32 32 HIS N N 15 122.80534 . . 1 . . . . . 32 HIS N . 53303 1 53 . 1 . 1 34 34 ASP H H 1 10.37958 . . 1 . . . . . 34 ASP H . 53303 1 54 . 1 . 1 34 34 ASP N N 15 121.01407 . . 1 . . . . . 34 ASP N . 53303 1 55 . 1 . 1 35 35 LYS H H 1 7.91262 . . 1 . . . . . 35 LYS H . 53303 1 56 . 1 . 1 35 35 LYS N N 15 117.67695 . . 1 . . . . . 35 LYS N . 53303 1 57 . 1 . 1 36 36 ASN H H 1 8.134 . . 1 . . . . . 36 ASN H . 53303 1 58 . 1 . 1 36 36 ASN N N 15 120.2988 . . 1 . . . . . 36 ASN N . 53303 1 59 . 1 . 1 37 37 LYS H H 1 8.47328 . . 1 . . . . . 37 LYS H . 53303 1 60 . 1 . 1 37 37 LYS N N 15 122.98996 . . 1 . . . . . 37 LYS N . 53303 1 61 . 1 . 1 38 38 GLU H H 1 8.35272 . . 1 . . . . . 38 GLU H . 53303 1 62 . 1 . 1 38 38 GLU N N 15 123.50107 . . 1 . . . . . 38 GLU N . 53303 1 63 . 1 . 1 40 40 GLY H H 1 8.85889 . . 1 . . . . . 40 GLY H . 53303 1 64 . 1 . 1 40 40 GLY N N 15 112.87213 . . 1 . . . . . 40 GLY N . 53303 1 65 . 1 . 1 41 41 ALA H H 1 7.84827 . . 1 . . . . . 41 ALA H . 53303 1 66 . 1 . 1 41 41 ALA N N 15 125.36317 . . 1 . . . . . 41 ALA N . 53303 1 67 . 1 . 1 42 42 GLU H H 1 8.60635 . . 1 . . . . . 42 GLU H . 53303 1 68 . 1 . 1 42 42 GLU N N 15 118.11328 . . 1 . . . . . 42 GLU N . 53303 1 69 . 1 . 1 44 44 LYS H H 1 7.60452 . . 1 . . . . . 44 LYS H . 53303 1 70 . 1 . 1 44 44 LYS N N 15 120.92954 . . 1 . . . . . 44 LYS N . 53303 1 71 . 1 . 1 45 45 PHE H H 1 8.75381 . . 1 . . . . . 45 PHE H . 53303 1 72 . 1 . 1 45 45 PHE N N 15 120.57898 . . 1 . . . . . 45 PHE N . 53303 1 73 . 1 . 1 46 46 LYS H H 1 7.87076 . . 1 . . . . . 46 LYS H . 53303 1 74 . 1 . 1 46 46 LYS N N 15 119.50308 . . 1 . . . . . 46 LYS N . 53303 1 75 . 1 . 1 48 48 ILE H H 1 7.93383 . . 1 . . . . . 48 ILE H . 53303 1 76 . 1 . 1 48 48 ILE N N 15 122.52626 . . 1 . . . . . 48 ILE N . 53303 1 77 . 1 . 1 49 49 ALA H H 1 7.89734 . . 1 . . . . . 49 ALA H . 53303 1 78 . 1 . 1 49 49 ALA N N 15 123.11036 . . 1 . . . . . 49 ALA N . 53303 1 79 . 1 . 1 50 50 GLU H H 1 7.80965 . . 1 . . . . . 50 GLU H . 53303 1 80 . 1 . 1 50 50 GLU N N 15 120.32119 . . 1 . . . . . 50 GLU N . 53303 1 81 . 1 . 1 52 52 TYR H H 1 8.01648 . . 1 . . . . . 52 TYR H . 53303 1 82 . 1 . 1 52 52 TYR N N 15 116.93934 . . 1 . . . . . 52 TYR N . 53303 1 83 . 1 . 1 54 54 VAL H H 1 6.96039 . . 1 . . . . . 54 VAL H . 53303 1 84 . 1 . 1 54 54 VAL N N 15 115.88471 . . 1 . . . . . 54 VAL N . 53303 1 85 . 1 . 1 55 55 LEU H H 1 7.47947 . . 1 . . . . . 55 LEU H . 53303 1 86 . 1 . 1 55 55 LEU N N 15 111.44378 . . 1 . . . . . 55 LEU N . 53303 1 87 . 1 . 1 56 56 SER H H 1 7.74791 . . 1 . . . . . 56 SER H . 53303 1 88 . 1 . 1 56 56 SER N N 15 110.51655 . . 1 . . . . . 56 SER N . 53303 1 89 . 1 . 1 57 57 ASP H H 1 6.86862 . . 1 . . . . . 57 ASP H . 53303 1 90 . 1 . 1 57 57 ASP N N 15 125.86639 . . 1 . . . . . 57 ASP N . 53303 1 91 . 1 . 1 59 59 ARG H H 1 7.76979 . . 1 . . . . . 59 ARG H . 53303 1 92 . 1 . 1 59 59 ARG N N 15 117.36301 . . 1 . . . . . 59 ARG N . 53303 1 93 . 1 . 1 63 63 ILE H H 1 7.3437 . . 1 . . . . . 63 ILE H . 53303 1 94 . 1 . 1 63 63 ILE N N 15 119.3937 . . 1 . . . . . 63 ILE N . 53303 1 95 . 1 . 1 64 64 PHE H H 1 8.83594 . . 1 . . . . . 64 PHE H . 53303 1 96 . 1 . 1 64 64 PHE N N 15 122.3462 . . 1 . . . . . 64 PHE N . 53303 1 97 . 1 . 1 65 65 ASP H H 1 9.36325 . . 1 . . . . . 65 ASP H . 53303 1 98 . 1 . 1 65 65 ASP N N 15 122.35446 . . 1 . . . . . 65 ASP N . 53303 1 99 . 1 . 1 66 66 ARG H H 1 7.3569 . . 1 . . . . . 66 ARG H . 53303 1 100 . 1 . 1 66 66 ARG N N 15 117.44136 . . 1 . . . . . 66 ARG N . 53303 1 101 . 1 . 1 67 67 TYR H H 1 8.56911 . . 1 . . . . . 67 TYR H . 53303 1 102 . 1 . 1 67 67 TYR N N 15 116.33213 . . 1 . . . . . 67 TYR N . 53303 1 103 . 1 . 1 68 68 GLY H H 1 8.23523 . . 1 . . . . . 68 GLY H . 53303 1 104 . 1 . 1 68 68 GLY N N 15 111.0764 . . 1 . . . . . 68 GLY N . 53303 1 105 . 1 . 1 69 69 GLU H H 1 8.97904 . . 1 . . . . . 69 GLU H . 53303 1 106 . 1 . 1 69 69 GLU N N 15 122.37407 . . 1 . . . . . 69 GLU N . 53303 1 107 . 1 . 1 70 70 GLU H H 1 8.96359 . . 1 . . . . . 70 GLU H . 53303 1 108 . 1 . 1 70 70 GLU N N 15 118.97907 . . 1 . . . . . 70 GLU N . 53303 1 109 . 1 . 1 71 71 GLY H H 1 7.58177 . . 1 . . . . . 71 GLY H . 53303 1 110 . 1 . 1 71 71 GLY N N 15 105.94113 . . 1 . . . . . 71 GLY N . 53303 1 111 . 1 . 1 72 72 LEU H H 1 7.58157 . . 1 . . . . . 72 LEU H . 53303 1 112 . 1 . 1 72 72 LEU N N 15 121.07713 . . 1 . . . . . 72 LEU N . 53303 1 113 . 1 . 1 74 74 GLY H H 1 7.98433 . . 1 . . . . . 74 GLY H . 53303 1 114 . 1 . 1 74 74 GLY N N 15 108.89133 . . 1 . . . . . 74 GLY N . 53303 1 115 . 1 . 1 75 75 SER H H 1 7.99963 . . 1 . . . . . 75 SER H . 53303 1 116 . 1 . 1 75 75 SER N N 15 115.95753 . . 1 . . . . . 75 SER N . 53303 1 117 . 1 . 1 76 76 GLY H H 1 8.31237 . . 1 . . . . . 76 GLY H . 53303 1 118 . 1 . 1 76 76 GLY N N 15 111.68736 . . 1 . . . . . 76 GLY N . 53303 1 119 . 1 . 1 77 77 CYS H H 1 7.692 . . 1 . . . . . 77 CYS H . 53303 1 120 . 1 . 1 77 77 CYS N N 15 123.42511 . . 1 . . . . . 77 CYS N . 53303 1 stop_ save_