################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID bmse000876 _Assigned_chem_shift_list.ID 1 _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 _Assigned_chem_shift_list.Details 'The chemical shift assignments have been taken from BMRB entry bmse000125' loop_ _Atom_chem_shift.ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_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.Ambiguity_code _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 1 1 1 C11 C 13 95.960 1 C1 bmse000876 1 2 1 1 1 C11 C 13 95.900 1 C1 bmse000876 1 3 1 1 1 C9 C 13 75.215 4 C2 bmse000876 1 4 1 1 1 C9 C 13 74.875 4 C2 bmse000876 1 5 1 1 1 C9 C 13 73.765 4 C2 bmse000876 1 6 1 1 1 C9 C 13 72.400 4 C2 bmse000876 1 7 1 1 1 C7 C 13 75.215 4 C3 bmse000876 1 8 1 1 1 C7 C 13 74.875 4 C3 bmse000876 1 9 1 1 1 C7 C 13 73.765 4 C3 bmse000876 1 10 1 1 1 C7 C 13 72.400 4 C3 bmse000876 1 11 1 1 1 C5 C 13 75.215 4 C4 bmse000876 1 12 1 1 1 C5 C 13 74.875 4 C4 bmse000876 1 13 1 1 1 C5 C 13 73.765 4 C4 bmse000876 1 14 1 1 1 C5 C 13 72.400 4 C4 bmse000876 1 15 1 1 1 C3 C 13 75.215 4 C5 bmse000876 1 16 1 1 1 C3 C 13 74.875 4 C5 bmse000876 1 17 1 1 1 C3 C 13 73.765 4 C5 bmse000876 1 18 1 1 1 C3 C 13 72.400 4 C5 bmse000876 1 19 1 1 1 C1 C 13 63.225 1 C6 bmse000876 1 20 1 1 1 C12 C 13 95.960 1 C13 bmse000876 1 21 1 1 1 C12 C 13 95.900 1 C13 bmse000876 1 22 1 1 1 C10 C 13 75.215 4 C14 bmse000876 1 23 1 1 1 C10 C 13 74.875 4 C14 bmse000876 1 24 1 1 1 C10 C 13 73.765 4 C14 bmse000876 1 25 1 1 1 C10 C 13 72.400 4 C14 bmse000876 1 26 1 1 1 C8 C 13 75.215 4 C15 bmse000876 1 27 1 1 1 C8 C 13 74.875 4 C15 bmse000876 1 28 1 1 1 C8 C 13 73.765 4 C15 bmse000876 1 29 1 1 1 C8 C 13 72.400 4 C15 bmse000876 1 30 1 1 1 C6 C 13 75.215 4 C16 bmse000876 1 31 1 1 1 C6 C 13 74.875 4 C16 bmse000876 1 32 1 1 1 C6 C 13 73.765 4 C16 bmse000876 1 33 1 1 1 C6 C 13 72.400 4 C16 bmse000876 1 34 1 1 1 C4 C 13 75.215 4 C17 bmse000876 1 35 1 1 1 C4 C 13 74.875 4 C17 bmse000876 1 36 1 1 1 C4 C 13 73.765 4 C17 bmse000876 1 37 1 1 1 C4 C 13 72.400 4 C17 bmse000876 1 38 1 1 1 C2 C 13 63.225 1 C18 bmse000876 1 39 1 1 1 H36 H 1 5.187 1 H24 bmse000876 1 40 1 1 1 H34 H 1 3.864 4 H25 bmse000876 1 41 1 1 1 H34 H 1 3.824 4 H25 bmse000876 1 42 1 1 1 H34 H 1 3.753 4 H25 bmse000876 1 43 1 1 1 H34 H 1 3.639 4 H25 bmse000876 1 44 1 1 1 H34 H 1 3.440 4 H25 bmse000876 1 45 1 1 1 H32 H 1 3.864 4 H26 bmse000876 1 46 1 1 1 H32 H 1 3.824 4 H26 bmse000876 1 47 1 1 1 H32 H 1 3.753 4 H26 bmse000876 1 48 1 1 1 H32 H 1 3.639 4 H26 bmse000876 1 49 1 1 1 H32 H 1 3.440 4 H26 bmse000876 1 50 1 1 1 H30 H 1 3.864 4 H27 bmse000876 1 51 1 1 1 H30 H 1 3.824 4 H27 bmse000876 1 52 1 1 1 H30 H 1 3.753 4 H27 bmse000876 1 53 1 1 1 H30 H 1 3.639 4 H27 bmse000876 1 54 1 1 1 H30 H 1 3.440 4 H27 bmse000876 1 55 1 1 1 H28 H 1 3.864 4 H28 bmse000876 1 56 1 1 1 H28 H 1 3.824 4 H28 bmse000876 1 57 1 1 1 H28 H 1 3.753 4 H28 bmse000876 1 58 1 1 1 H28 H 1 3.639 4 H28 bmse000876 1 59 1 1 1 H28 H 1 3.440 4 H28 bmse000876 1 60 1 1 1 H24 H 1 3.753 4 H29 bmse000876 1 61 1 1 1 H25 H 1 3.753 4 H30 bmse000876 1 62 1 1 1 H37 H 1 5.187 1 H35 bmse000876 1 63 1 1 1 H35 H 1 3.864 4 H36 bmse000876 1 64 1 1 1 H35 H 1 3.824 4 H36 bmse000876 1 65 1 1 1 H35 H 1 3.753 4 H36 bmse000876 1 66 1 1 1 H35 H 1 3.639 4 H36 bmse000876 1 67 1 1 1 H35 H 1 3.440 4 H36 bmse000876 1 68 1 1 1 H33 H 1 3.864 4 H37 bmse000876 1 69 1 1 1 H33 H 1 3.824 4 H37 bmse000876 1 70 1 1 1 H33 H 1 3.753 4 H37 bmse000876 1 71 1 1 1 H33 H 1 3.639 4 H37 bmse000876 1 72 1 1 1 H33 H 1 3.440 4 H37 bmse000876 1 73 1 1 1 H31 H 1 3.864 4 H38 bmse000876 1 74 1 1 1 H31 H 1 3.824 4 H38 bmse000876 1 75 1 1 1 H31 H 1 3.753 4 H38 bmse000876 1 76 1 1 1 H31 H 1 3.639 4 H38 bmse000876 1 77 1 1 1 H31 H 1 3.440 4 H38 bmse000876 1 78 1 1 1 H29 H 1 3.864 4 H39 bmse000876 1 79 1 1 1 H29 H 1 3.824 4 H39 bmse000876 1 80 1 1 1 H29 H 1 3.753 4 H39 bmse000876 1 81 1 1 1 H29 H 1 3.639 4 H39 bmse000876 1 82 1 1 1 H29 H 1 3.440 4 H39 bmse000876 1 83 1 1 1 H26 H 1 3.753 4 H40 bmse000876 1 84 1 1 1 H27 H 1 3.753 4 H41 bmse000876 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 3 bmse000876 1 1 7 bmse000876 1 1 11 bmse000876 1 1 15 bmse000876 1 1 22 bmse000876 1 1 26 bmse000876 1 1 30 bmse000876 1 1 34 bmse000876 1 2 4 bmse000876 1 2 8 bmse000876 1 2 12 bmse000876 1 2 16 bmse000876 1 2 23 bmse000876 1 2 27 bmse000876 1 2 31 bmse000876 1 2 35 bmse000876 1 3 5 bmse000876 1 3 9 bmse000876 1 3 13 bmse000876 1 3 17 bmse000876 1 3 24 bmse000876 1 3 28 bmse000876 1 3 32 bmse000876 1 3 36 bmse000876 1 4 6 bmse000876 1 4 10 bmse000876 1 4 14 bmse000876 1 4 18 bmse000876 1 4 25 bmse000876 1 4 29 bmse000876 1 4 33 bmse000876 1 4 37 bmse000876 1 5 40 bmse000876 1 5 45 bmse000876 1 5 50 bmse000876 1 5 55 bmse000876 1 5 63 bmse000876 1 5 68 bmse000876 1 5 73 bmse000876 1 5 78 bmse000876 1 6 41 bmse000876 1 6 46 bmse000876 1 6 51 bmse000876 1 6 56 bmse000876 1 6 64 bmse000876 1 6 69 bmse000876 1 6 74 bmse000876 1 6 79 bmse000876 1 7 42 bmse000876 1 7 47 bmse000876 1 7 52 bmse000876 1 7 57 bmse000876 1 7 60 bmse000876 1 7 61 bmse000876 1 7 65 bmse000876 1 7 70 bmse000876 1 7 75 bmse000876 1 7 80 bmse000876 1 7 83 bmse000876 1 7 84 bmse000876 1 8 43 bmse000876 1 8 48 bmse000876 1 8 53 bmse000876 1 8 58 bmse000876 1 8 66 bmse000876 1 8 71 bmse000876 1 8 76 bmse000876 1 8 81 bmse000876 1 9 44 bmse000876 1 9 49 bmse000876 1 9 54 bmse000876 1 9 59 bmse000876 1 9 67 bmse000876 1 9 72 bmse000876 1 9 77 bmse000876 1 9 82 bmse000876 1 stop_ save_