################################### # 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_PKCalpha_C-term_CSList _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode PKCalpha_C-term_CSList _Assigned_chem_shift_list.Entry_ID 19467 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chemical_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-1H TOCSY' . . . 19467 1 2 '2D 1H-1H NOESY' . . . 19467 1 3 '2D 1H-13C HSQC aliphatic' . . . 19467 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 PHE H H 1 8.551 0.004 . 1 . . . . . 3 Phe H . 19467 1 2 . 1 1 3 3 PHE HA H 1 4.522 0.006 . 1 . . . . . 3 Phe HA . 19467 1 3 . 1 1 3 3 PHE HB2 H 1 2.930 0.012 . 2 . . . . . 3 Phe HB2 . 19467 1 4 . 1 1 3 3 PHE HB3 H 1 2.963 0.005 . 2 . . . . . 3 Phe HB3 . 19467 1 5 . 1 1 4 4 VAL H H 1 8.025 0.004 . 1 . . . . . 4 Val H . 19467 1 6 . 1 1 4 4 VAL HA H 1 3.961 0.006 . 1 . . . . . 4 Val HA . 19467 1 7 . 1 1 4 4 VAL HB H 1 1.812 0.009 . 1 . . . . . 4 Val HB . 19467 1 8 . 1 1 4 4 VAL HG11 H 1 0.789 0.008 . 2 . . . . . 4 Val HG11 . 19467 1 9 . 1 1 4 4 VAL HG12 H 1 0.789 0.008 . 2 . . . . . 4 Val HG12 . 19467 1 10 . 1 1 4 4 VAL HG13 H 1 0.789 0.008 . 2 . . . . . 4 Val HG13 . 19467 1 11 . 1 1 4 4 VAL HG21 H 1 0.803 0.008 . 2 . . . . . 4 Val HG21 . 19467 1 12 . 1 1 4 4 VAL HG22 H 1 0.803 0.008 . 2 . . . . . 4 Val HG22 . 19467 1 13 . 1 1 4 4 VAL HG23 H 1 0.803 0.008 . 2 . . . . . 4 Val HG23 . 19467 1 14 . 1 1 5 5 HIS H H 1 8.378 0.001 . 1 . . . . . 5 His H . 19467 1 15 . 1 1 5 5 HIS HA H 1 4.620 0.011 . 1 . . . . . 5 His HA . 19467 1 16 . 1 1 5 5 HIS HB2 H 1 3.057 0.008 . 2 . . . . . 5 His HB2 . 19467 1 17 . 1 1 5 5 HIS HB3 H 1 2.922 0.021 . 2 . . . . . 5 His HB3 . 19467 1 18 . 1 1 5 5 HIS HD1 H 1 7.125 0.047 . 1 . . . . . 5 His HD1 . 19467 1 19 . 1 1 5 5 HIS HD2 H 1 7.065 0.008 . 1 . . . . . 5 His HD2 . 19467 1 20 . 1 1 5 5 HIS HE1 H 1 7.725 0.008 . 1 . . . . . 5 His HE1 . 19467 1 21 . 1 1 6 6 PRO HA H 1 4.383 0.001 . 1 . . . . . 6 Pro HA . 19467 1 22 . 1 1 6 6 PRO HB3 H 1 2.258 0.009 . 1 . . . . . 6 Pro HB3 . 19467 1 23 . 1 1 6 6 PRO HG2 H 1 1.992 0.010 . 2 . . . . . 6 Pro HG2 . 19467 1 24 . 1 1 6 6 PRO HG3 H 1 1.838 0.008 . 2 . . . . . 6 Pro HG3 . 19467 1 25 . 1 1 6 6 PRO HD2 H 1 3.558 0.004 . 2 . . . . . 6 Pro HD2 . 19467 1 26 . 1 1 6 6 PRO HD3 H 1 3.812 0.004 . 2 . . . . . 6 Pro HD3 . 19467 1 27 . 1 1 7 7 ILE H H 1 8.508 0.007 . 1 . . . . . 7 Ile H . 19467 1 28 . 1 1 7 7 ILE HA H 1 4.094 0.006 . 1 . . . . . 7 Ile HA . 19467 1 29 . 1 1 7 7 ILE HB H 1 1.803 0.005 . 1 . . . . . 7 Ile HB . 19467 1 30 . 1 1 7 7 ILE HG12 H 1 1.494 0.010 . 2 . . . . . 7 Ile HG12 . 19467 1 31 . 1 1 7 7 ILE HG13 H 1 1.166 0.023 . 2 . . . . . 7 Ile HG13 . 19467 1 32 . 1 1 7 7 ILE HG21 H 1 0.850 0.012 . 1 . . . . . 7 Ile HG21 . 19467 1 33 . 1 1 7 7 ILE HG22 H 1 0.850 0.012 . 1 . . . . . 7 Ile HG22 . 19467 1 34 . 1 1 7 7 ILE HG23 H 1 0.850 0.012 . 1 . . . . . 7 Ile HG23 . 19467 1 35 . 1 1 7 7 ILE HD11 H 1 0.660 0.016 . 1 . . . . . 7 Ile HD11 . 19467 1 36 . 1 1 7 7 ILE HD12 H 1 0.660 0.016 . 1 . . . . . 7 Ile HD12 . 19467 1 37 . 1 1 7 7 ILE HD13 H 1 0.660 0.016 . 1 . . . . . 7 Ile HD13 . 19467 1 38 . 1 1 8 8 LEU H H 1 8.481 0.006 . 1 . . . . . 8 Leu H . 19467 1 39 . 1 1 8 8 LEU HA H 1 4.353 0.031 . 1 . . . . . 8 Leu HA . 19467 1 40 . 1 1 8 8 LEU HB2 H 1 1.560 0.015 . 2 . . . . . 8 Leu HB2 . 19467 1 41 . 1 1 8 8 LEU HB3 H 1 1.596 0.010 . 2 . . . . . 8 Leu HB3 . 19467 1 42 . 1 1 8 8 LEU HG H 1 1.301 0.021 . 1 . . . . . 8 Leu HG . 19467 1 43 . 1 1 8 8 LEU HD11 H 1 0.887 0.010 . 2 . . . . . 8 Leu HD11 . 19467 1 44 . 1 1 8 8 LEU HD12 H 1 0.887 0.010 . 2 . . . . . 8 Leu HD12 . 19467 1 45 . 1 1 8 8 LEU HD13 H 1 0.887 0.010 . 2 . . . . . 8 Leu HD13 . 19467 1 46 . 1 1 8 8 LEU HD21 H 1 0.849 0.012 . 2 . . . . . 8 Leu HD21 . 19467 1 47 . 1 1 8 8 LEU HD22 H 1 0.849 0.012 . 2 . . . . . 8 Leu HD22 . 19467 1 48 . 1 1 8 8 LEU HD23 H 1 0.849 0.012 . 2 . . . . . 8 Leu HD23 . 19467 1 49 . 1 1 9 9 GLN H H 1 8.511 0.001 . 1 . . . . . 9 Gln H . 19467 1 50 . 1 1 9 9 GLN HA H 1 4.290 0.021 . 1 . . . . . 9 Gln HA . 19467 1 51 . 1 1 9 9 GLN HB2 H 1 2.077 0.004 . 2 . . . . . 9 Gln HB2 . 19467 1 52 . 1 1 9 9 GLN HB3 H 1 1.941 0.015 . 2 . . . . . 9 Gln HB3 . 19467 1 53 . 1 1 9 9 GLN HG2 H 1 2.333 0.004 . 2 . . . . . 9 Gln HG2 . 19467 1 54 . 1 1 9 9 GLN HG3 H 1 2.353 0.012 . 2 . . . . . 9 Gln HG3 . 19467 1 55 . 1 1 9 9 GLN HE21 H 1 6.950 0.016 . 1 . . . . . 9 Gln HE21 . 19467 1 56 . 1 1 9 9 GLN HE22 H 1 7.632 0.004 . 1 . . . . . 9 Gln HE22 . 19467 1 57 . 1 1 10 10 SER H H 1 8.403 0.006 . 1 . . . . . 10 Ser H . 19467 1 58 . 1 1 10 10 SER HA H 1 4.380 0.006 . 1 . . . . . 10 Ser HA . 19467 1 59 . 1 1 10 10 SER HB2 H 1 3.821 0.005 . 2 . . . . . 10 Ser HB2 . 19467 1 60 . 1 1 10 10 SER HB3 H 1 3.827 0.009 . 2 . . . . . 10 Ser HB3 . 19467 1 61 . 1 1 11 11 ALA H H 1 8.489 0.006 . 1 . . . . . 11 Ala H . 19467 1 62 . 1 1 11 11 ALA HA H 1 4.368 0.003 . 1 . . . . . 11 Ala HA . 19467 1 63 . 1 1 11 11 ALA HB1 H 1 1.382 0.004 . 1 . . . . . 11 Ala HB1 . 19467 1 64 . 1 1 11 11 ALA HB2 H 1 1.382 0.004 . 1 . . . . . 11 Ala HB2 . 19467 1 65 . 1 1 11 11 ALA HB3 H 1 1.382 0.004 . 1 . . . . . 11 Ala HB3 . 19467 1 66 . 1 1 12 12 VAL H H 1 7.778 0.008 . 1 . . . . . 12 Val H . 19467 1 67 . 1 1 12 12 VAL HA H 1 3.999 0.007 . 1 . . . . . 12 Val HA . 19467 1 68 . 1 1 12 12 VAL HB H 1 2.057 0.011 . 1 . . . . . 12 Val HB . 19467 1 69 . 1 1 12 12 VAL HG11 H 1 0.870 0.009 . 2 . . . . . 12 Val HG11 . 19467 1 70 . 1 1 12 12 VAL HG12 H 1 0.870 0.009 . 2 . . . . . 12 Val HG12 . 19467 1 71 . 1 1 12 12 VAL HG13 H 1 0.870 0.009 . 2 . . . . . 12 Val HG13 . 19467 1 72 . 1 1 12 12 VAL HG21 H 1 0.856 0.011 . 2 . . . . . 12 Val HG21 . 19467 1 73 . 1 1 12 12 VAL HG22 H 1 0.856 0.011 . 2 . . . . . 12 Val HG22 . 19467 1 74 . 1 1 12 12 VAL HG23 H 1 0.856 0.011 . 2 . . . . . 12 Val HG23 . 19467 1 stop_ save_