################################### # 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 36297 _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 NOESY 1 $RNF isotropic 36297 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 8 8 CYS HA H 1 4.51 0 . 1 . . . . A 8 CYS HA . 36297 1 2 . 1 . 1 9 9 LYS HA H 1 4.11 0 . 1 . . . . A 9 LYS HA . 36297 1 3 . 1 . 1 10 10 LEU HA H 1 4.32 0 . 1 . . . . A 10 LEU HA . 36297 1 4 . 1 . 1 11 11 CYS HA H 1 4.78 0 . 1 . . . . A 11 CYS HA . 36297 1 5 . 1 . 1 12 12 LEU HA H 1 4.01 0 . 1 . . . . A 12 LEU HA . 36297 1 6 . 1 . 1 13 13 GLY HA2 H 1 4.10 0 . 2 . . . . A 13 GLY HA2 . 36297 1 7 . 1 . 1 13 13 GLY HA3 H 1 4.10 0 . 2 . . . . A 13 GLY HA3 . 36297 1 8 . 1 . 1 14 14 GLU HA H 1 4.82 0 . 1 . . . . A 14 GLU HA . 36297 1 9 . 1 . 1 15 15 TYR HA H 1 4.90 0 . 1 . . . . A 15 TYR HA . 36297 1 10 . 1 . 1 16 16 PRO HA H 1 4.60 0 . 1 . . . . A 16 PRO HA . 36297 1 11 . 1 . 1 17 17 VAL HA H 1 3.57 0 . 1 . . . . A 17 VAL HA . 36297 1 12 . 1 . 1 18 18 GLU HA H 1 4.20 0 . 1 . . . . A 18 GLU HA . 36297 1 13 . 1 . 1 19 19 GLN HA H 1 4.55 0 . 1 . . . . A 19 GLN HA . 36297 1 14 . 1 . 1 20 20 MET HA H 1 5.01 0 . 1 . . . . A 20 MET HA . 36297 1 15 . 1 . 1 21 21 THR HA H 1 4.22 0 . 1 . . . . A 21 THR HA . 36297 1 16 . 1 . 1 22 22 THR HA H 1 4.74 0 . 1 . . . . A 22 THR HA . 36297 1 17 . 1 . 1 23 23 ILE HA H 1 4.00 0 . 1 . . . . A 23 ILE HA . 36297 1 18 . 1 . 1 24 24 ALA HA H 1 3.89 0 . 1 . . . . A 24 ALA HA . 36297 1 19 . 1 . 1 25 25 GLN HA H 1 4.47 0 . 1 . . . . A 25 GLN HA . 36297 1 20 . 1 . 1 26 26 CYS HA H 1 4.66 0 . 1 . . . . A 26 CYS HA . 36297 1 21 . 1 . 1 27 27 GLN HA H 1 3.89 0 . 1 . . . . A 27 GLN HA . 36297 1 22 . 1 . 1 28 28 CYS HA H 1 3.77 0 . 1 . . . . A 28 CYS HA . 36297 1 23 . 1 . 1 29 29 ILE HA H 1 4.82 0 . 1 . . . . A 29 ILE HA . 36297 1 24 . 1 . 1 30 30 PHE HA H 1 4.93 0 . 1 . . . . A 30 PHE HA . 36297 1 25 . 1 . 1 31 31 CYS HA H 1 4.47 0 . 1 . . . . A 31 CYS HA . 36297 1 26 . 1 . 1 32 32 THR HA H 1 3.55 0 . 1 . . . . A 32 THR HA . 36297 1 27 . 1 . 1 33 33 LEU HA H 1 3.97 0 . 1 . . . . A 33 LEU HA . 36297 1 28 . 1 . 1 34 34 CYS HA H 1 4.30 0 . 1 . . . . A 34 CYS HA . 36297 1 29 . 1 . 1 35 35 LEU HA H 1 4.11 0 . 1 . . . . A 35 LEU HA . 36297 1 30 . 1 . 1 36 36 LYS HA H 1 3.77 0 . 1 . . . . A 36 LYS HA . 36297 1 31 . 1 . 1 37 37 GLN HA H 1 4.00 0 . 1 . . . . A 37 GLN HA . 36297 1 32 . 1 . 1 38 38 TYR HA H 1 4.13 0 . 1 . . . . A 38 TYR HA . 36297 1 33 . 1 . 1 39 39 VAL HA H 1 3.01 0 . 1 . . . . A 39 VAL HA . 36297 1 34 . 1 . 1 40 40 GLU HA H 1 3.60 0 . 1 . . . . A 40 GLU HA . 36297 1 35 . 1 . 1 41 41 LEU HA H 1 3.95 0 . 1 . . . . A 41 LEU HA . 36297 1 36 . 1 . 1 42 42 LEU HA H 1 3.85 0 . 1 . . . . A 42 LEU HA . 36297 1 37 . 1 . 1 43 43 ILE HA H 1 3.88 0 . 1 . . . . A 43 ILE HA . 36297 1 38 . 1 . 1 44 44 LYS HA H 1 3.91 0 . 1 . . . . A 44 LYS HA . 36297 1 39 . 1 . 1 45 45 GLU HA H 1 4.11 0 . 1 . . . . A 45 GLU HA . 36297 1 40 . 1 . 1 46 46 GLY HA2 H 1 3.88 0 . 2 . . . . A 46 GLY HA2 . 36297 1 41 . 1 . 1 46 46 GLY HA3 H 1 3.88 0 . 2 . . . . A 46 GLY HA3 . 36297 1 42 . 1 . 1 47 47 LEU HA H 1 4.48 0 . 1 . . . . A 47 LEU HA . 36297 1 43 . 1 . 1 48 48 GLU HA H 1 4.31 0 . 1 . . . . A 48 GLU HA . 36297 1 44 . 1 . 1 49 49 THR HA H 1 4.66 0 . 1 . . . . A 49 THR HA . 36297 1 45 . 1 . 1 50 50 ALA HA H 1 4.44 0 . 1 . . . . A 50 ALA HA . 36297 1 46 . 1 . 1 51 51 ILE HA H 1 4.03 0 . 1 . . . . A 51 ILE HA . 36297 1 47 . 1 . 1 52 52 SER HA H 1 4.23 0 . 1 . . . . A 52 SER HA . 36297 1 48 . 1 . 1 53 53 CYS HA H 1 3.95 0 . 1 . . . . A 53 CYS HA . 36297 1 49 . 1 . 1 54 54 PRO HA H 1 3.87 0 . 1 . . . . A 54 PRO HA . 36297 1 50 . 1 . 1 55 55 ASP HA H 1 4.66 0 . 1 . . . . A 55 ASP HA . 36297 1 51 . 1 . 1 56 56 ALA HA H 1 4.11 0 . 1 . . . . A 56 ALA HA . 36297 1 52 . 1 . 1 57 57 ALA HA H 1 4.59 0 . 1 . . . . A 57 ALA HA . 36297 1 53 . 1 . 1 58 58 CYS HA H 1 3.97 0 . 1 . . . . A 58 CYS HA . 36297 1 54 . 1 . 1 59 59 PRO HA H 1 4.31 0 . 1 . . . . A 59 PRO HA . 36297 1 55 . 1 . 1 60 60 LYS HA H 1 4.68 0 . 1 . . . . A 60 LYS HA . 36297 1 56 . 1 . 1 61 61 GLN HA H 1 3.99 0 . 1 . . . . A 61 GLN HA . 36297 1 57 . 1 . 1 62 62 GLY HA2 H 1 4.83 0 . 2 . . . . A 62 GLY HA2 . 36297 1 58 . 1 . 1 62 62 GLY HA3 H 1 4.83 0 . 2 . . . . A 62 GLY HA3 . 36297 1 59 . 1 . 1 63 63 HIS HA H 1 5.03 0 . 1 . . . . A 63 HIS HA . 36297 1 60 . 1 . 1 64 64 LEU HA H 1 4.38 0 . 1 . . . . A 64 LEU HA . 36297 1 61 . 1 . 1 65 65 GLN HA H 1 4.44 0 . 1 . . . . A 65 GLN HA . 36297 1 62 . 1 . 1 66 66 GLU HA H 1 3.95 0 . 1 . . . . A 66 GLU HA . 36297 1 63 . 1 . 1 67 67 ASN HA H 1 4.47 0 . 1 . . . . A 67 ASN HA . 36297 1 64 . 1 . 1 68 68 GLU HA H 1 4.00 0 . 1 . . . . A 68 GLU HA . 36297 1 65 . 1 . 1 69 69 ILE HA H 1 3.33 0 . 1 . . . . A 69 ILE HA . 36297 1 66 . 1 . 1 70 70 GLU HA H 1 4.01 0 . 1 . . . . A 70 GLU HA . 36297 1 67 . 1 . 1 71 71 CYS HA H 1 4.36 0 . 1 . . . . A 71 CYS HA . 36297 1 68 . 1 . 1 73 73 VAL HA H 1 4.77 0 . 1 . . . . A 73 VAL HA . 36297 1 69 . 1 . 1 74 74 ALA HA H 1 4.11 0 . 1 . . . . A 74 ALA HA . 36297 1 70 . 1 . 1 75 75 ALA HA H 1 4.09 0 . 1 . . . . A 75 ALA HA . 36297 1 stop_ save_