################################### # 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 bmse010202 _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_1 _Assigned_chem_shift_list.Error_derivation_method ? _Assigned_chem_shift_list.Details ? loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1D 1H' 1 $sample_1 bmse010202 1 2 '1D 13C' 1 $sample_1 bmse010202 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 ? ? bmse010202 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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_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 1 1 1 C1 C 13 9.92 ? ? 1 ? ? ? ? ? G ? bmse010202 1 2 ? 1 1 1 1 1 C2 C 13 21.13 ? ? 1 ? ? ? ? ? AAcMe ? bmse010202 1 3 ? 1 1 1 1 1 C6 C 13 29.20 ? ? 1 ? ? ? ? ? B ? bmse010202 1 4 ? 1 1 1 1 1 C3 C 13 55.98 ? ? 1 ? ? ? ? ? 3OMe ? bmse010202 1 5 ? 1 1 1 1 1 C4 C 13 55.98 ? ? 1 ? ? ? ? ? 5OMe ? bmse010202 1 6 ? 1 1 1 1 1 C5 C 13 60.63 ? ? 1 ? ? ? ? ? 4OMe ? bmse010202 1 7 ? 1 1 1 1 1 C11 C 13 77.41 ? ? 1 ? ? ? ? ? A ? bmse010202 1 8 ? 1 1 1 1 1 C7 C 13 103.58 ? ? 1 ? ? ? ? ? 2 ? bmse010202 1 9 ? 1 1 1 1 1 C8 C 13 103.58 ? ? 1 ? ? ? ? ? 6 ? bmse010202 1 10 ? 1 1 1 1 1 C10 C 13 136.12 ? ? 1 ? ? ? ? ? 1 ? bmse010202 1 11 ? 1 1 1 1 1 C14 C 13 137.45 ? ? 1 ? ? ? ? ? 4 ? bmse010202 1 12 ? 1 1 1 1 1 C12 C 13 153.08 ? ? 1 ? ? ? ? ? 3 ? bmse010202 1 13 ? 1 1 1 1 1 C13 C 13 153.08 ? ? 1 ? ? ? ? ? 5 ? bmse010202 1 14 ? 1 1 1 1 1 C9 C 13 170.26 ? ? 1 ? ? ? ? ? AAcC=O ? bmse010202 1 15 ? 1 1 1 1 1 H21 H 1 0.90 ? ? 1 ? ? ? ? ? G ? bmse010202 1 16 ? 1 1 1 1 1 H22 H 1 0.90 ? ? 1 ? ? ? ? ? G ? bmse010202 1 17 ? 1 1 1 1 1 H20 H 1 0.90 ? ? 1 ? ? ? ? ? G ? bmse010202 1 18 ? 1 1 1 1 1 H35 H 1 1.85 ? ? 1 ? ? ? ? ? B ? bmse010202 1 19 ? 1 1 1 1 1 H36 H 1 1.85 ? ? 1 ? ? ? ? ? B ? bmse010202 1 20 ? 1 1 1 1 1 H23 H 1 2.09 ? ? 1 ? ? ? ? ? AAcMe ? bmse010202 1 21 ? 1 1 1 1 1 H24 H 1 2.09 ? ? 1 ? ? ? ? ? AAcMe ? bmse010202 1 22 ? 1 1 1 1 1 H25 H 1 2.09 ? ? 1 ? ? ? ? ? AAcMe ? bmse010202 1 23 ? 1 1 1 1 1 H32 H 1 3.83 ? ? 1 ? ? ? ? ? 4OMe ? bmse010202 1 24 ? 1 1 1 1 1 H34 H 1 3.83 ? ? 1 ? ? ? ? ? 4OMe ? bmse010202 1 25 ? 1 1 1 1 1 H33 H 1 3.83 ? ? 1 ? ? ? ? ? 4OMe ? bmse010202 1 26 ? 1 1 1 1 1 H26 H 1 3.87 ? ? 1 ? ? ? ? ? 3OMe ? bmse010202 1 27 ? 1 1 1 1 1 H28 H 1 3.87 ? ? 1 ? ? ? ? ? 3OMe ? bmse010202 1 28 ? 1 1 1 1 1 H27 H 1 3.87 ? ? 1 ? ? ? ? ? 3OMe ? bmse010202 1 29 ? 1 1 1 1 1 H29 H 1 3.87 ? ? 1 ? ? ? ? ? 5OMe ? bmse010202 1 30 ? 1 1 1 1 1 H31 H 1 3.87 ? ? 1 ? ? ? ? ? 5OMe ? bmse010202 1 31 ? 1 1 1 1 1 H30 H 1 3.87 ? ? 1 ? ? ? ? ? 5OMe ? bmse010202 1 32 ? 1 1 1 1 1 H39 H 1 5.59 ? ? 1 ? ? ? ? ? A ? bmse010202 1 33 ? 1 1 1 1 1 H37 H 1 6.55 ? ? 1 ? ? ? ? ? 2 ? bmse010202 1 34 ? 1 1 1 1 1 H38 H 1 6.55 ? ? 1 ? ? ? ? ? 6 ? bmse010202 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID bmse010202 _Assigned_chem_shift_list.ID 2 _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 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2 _Assigned_chem_shift_list.Error_derivation_method ? _Assigned_chem_shift_list.Details ? loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '1D 1H' 2 $sample_2 bmse010202 2 4 '1D 13C' 2 $sample_2 bmse010202 2 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 ? ? bmse010202 2 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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_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 1 1 1 C1 C 13 10.30 ? ? 1 ? ? ? ? ? G ? bmse010202 2 2 ? 1 1 1 1 1 C2 C 13 21.05 ? ? 1 ? ? ? ? ? AAcMe ? bmse010202 2 3 ? 1 1 1 1 1 C6 C 13 30.13 ? ? 1 ? ? ? ? ? B ? bmse010202 2 4 ? 1 1 1 1 1 C3 C 13 56.43 ? ? 1 ? ? ? ? ? 3OMe ? bmse010202 2 5 ? 1 1 1 1 1 C4 C 13 56.43 ? ? 1 ? ? ? ? ? 5OMe ? bmse010202 2 6 ? 1 1 1 1 1 C5 C 13 60.45 ? ? 1 ? ? ? ? ? 4OMe ? bmse010202 2 7 ? 1 1 1 1 1 C11 C 13 77.75 ? ? 1 ? ? ? ? ? A ? bmse010202 2 8 ? 1 1 1 1 1 C7 C 13 104.71 ? ? 1 ? ? ? ? ? 2 ? bmse010202 2 9 ? 1 1 1 1 1 C8 C 13 104.71 ? ? 1 ? ? ? ? ? 6 ? bmse010202 2 10 ? 1 1 1 1 1 C10 C 13 137.56 ? ? 1 ? ? ? ? ? 1 ? bmse010202 2 11 ? 1 1 1 1 1 C14 C 13 138.71 ? ? 1 ? ? ? ? ? 4 ? bmse010202 2 12 ? 1 1 1 1 1 C12 C 13 154.32 ? ? 1 ? ? ? ? ? 3 ? bmse010202 2 13 ? 1 1 1 1 1 C13 C 13 154.32 ? ? 1 ? ? ? ? ? 5 ? bmse010202 2 14 ? 1 1 1 1 1 C9 C 13 170.37 ? ? 1 ? ? ? ? ? AAcC=O ? bmse010202 2 15 ? 1 1 1 1 1 H21 H 1 0.86 ? ? 1 ? ? ? ? ? G ? bmse010202 2 16 ? 1 1 1 1 1 H22 H 1 0.86 ? ? 1 ? ? ? ? ? G ? bmse010202 2 17 ? 1 1 1 1 1 H20 H 1 0.86 ? ? 1 ? ? ? ? ? G ? bmse010202 2 18 ? 1 1 1 1 1 H35 H 1 1.82 ? ? 1 ? ? ? ? ? B ? bmse010202 2 19 ? 1 1 1 1 1 H36 H 1 1.82 ? ? 1 ? ? ? ? ? B ? bmse010202 2 20 ? 1 1 1 1 1 H23 H 1 2.03 ? ? 1 ? ? ? ? ? AAcMe ? bmse010202 2 21 ? 1 1 1 1 1 H24 H 1 2.03 ? ? 1 ? ? ? ? ? AAcMe ? bmse010202 2 22 ? 1 1 1 1 1 H25 H 1 2.03 ? ? 1 ? ? ? ? ? AAcMe ? bmse010202 2 23 ? 1 1 1 1 1 H32 H 1 3.69 ? ? 1 ? ? ? ? ? 4OMe ? bmse010202 2 24 ? 1 1 1 1 1 H34 H 1 3.69 ? ? 1 ? ? ? ? ? 4OMe ? bmse010202 2 25 ? 1 1 1 1 1 H33 H 1 3.69 ? ? 1 ? ? ? ? ? 4OMe ? bmse010202 2 26 ? 1 1 1 1 1 H26 H 1 3.81 ? ? 1 ? ? ? ? ? 3OMe ? bmse010202 2 27 ? 1 1 1 1 1 H28 H 1 3.81 ? ? 1 ? ? ? ? ? 3OMe ? bmse010202 2 28 ? 1 1 1 1 1 H27 H 1 3.81 ? ? 1 ? ? ? ? ? 3OMe ? bmse010202 2 29 ? 1 1 1 1 1 H29 H 1 5.56 ? ? 1 ? ? ? ? ? 5OMe ? bmse010202 2 30 ? 1 1 1 1 1 H31 H 1 5.56 ? ? 1 ? ? ? ? ? 5OMe ? bmse010202 2 31 ? 1 1 1 1 1 H30 H 1 5.56 ? ? 1 ? ? ? ? ? 5OMe ? bmse010202 2 32 ? 1 1 1 1 1 H39 H 1 5.56 ? ? 1 ? ? ? ? ? A ? bmse010202 2 33 ? 1 1 1 1 1 H37 H 1 6.64 ? ? 1 ? ? ? ? ? 2 ? bmse010202 2 34 ? 1 1 1 1 1 H38 H 1 6.64 ? ? 1 ? ? ? ? ? 6 ? bmse010202 2 stop_ save_ ################################### # 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_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID bmse010202 _Assigned_chem_shift_list.ID 3 _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 3 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_3 _Assigned_chem_shift_list.Error_derivation_method ? _Assigned_chem_shift_list.Details ? loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 5 '1D 1H' 3 $sample_3 bmse010202 3 6 '1D 13C' 3 $sample_3 bmse010202 3 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 ? ? bmse010202 3 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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_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 1 1 1 C1 C 13 9.90 ? ? 1 ? ? ? ? ? G ? bmse010202 3 2 ? 1 1 1 1 1 C2 C 13 20.89 ? ? 1 ? ? ? ? ? AAcMe ? bmse010202 3 3 ? 1 1 1 1 1 C6 C 13 28.90 ? ? 1 ? ? ? ? ? B ? bmse010202 3 4 ? 1 1 1 1 1 C3 C 13 55.86 ? ? 1 ? ? ? ? ? 3OMe ? bmse010202 3 5 ? 1 1 1 1 1 C4 C 13 55.86 ? ? 1 ? ? ? ? ? 5OMe ? bmse010202 3 6 ? 1 1 1 1 1 C5 C 13 59.91 ? ? 1 ? ? ? ? ? 4OMe ? bmse010202 3 7 ? 1 1 1 1 1 C11 C 13 76.60 ? ? 1 ? ? ? ? ? A ? bmse010202 3 8 ? 1 1 1 1 1 C7 C 13 103.49 ? ? 1 ? ? ? ? ? 2 ? bmse010202 3 9 ? 1 1 1 1 1 C8 C 13 103.49 ? ? 1 ? ? ? ? ? 6 ? bmse010202 3 10 ? 1 1 1 1 1 C10 C 13 136.39 ? ? 1 ? ? ? ? ? 1 ? bmse010202 3 11 ? 1 1 1 1 1 C14 C 13 136.85 ? ? 1 ? ? ? ? ? 4 ? bmse010202 3 12 ? 1 1 1 1 1 C12 C 13 152.80 ? ? 1 ? ? ? ? ? 3 ? bmse010202 3 13 ? 1 1 1 1 1 C13 C 13 152.80 ? ? 1 ? ? ? ? ? 5 ? bmse010202 3 14 ? 1 1 1 1 1 C9 C 13 169.83 ? ? 1 ? ? ? ? ? AAcC=O ? bmse010202 3 15 ? 1 1 1 1 1 H21 H 1 0.82 ? ? 1 ? ? ? ? ? G ? bmse010202 3 16 ? 1 1 1 1 1 H22 H 1 0.82 ? ? 1 ? ? ? ? ? G ? bmse010202 3 17 ? 1 1 1 1 1 H20 H 1 0.82 ? ? 1 ? ? ? ? ? G ? bmse010202 3 18 ? 1 1 1 1 1 H35 H 1 1.77 ? ? 1 ? ? ? ? ? B ? bmse010202 3 19 ? 1 1 1 1 1 H36 H 1 1.77 ? ? 1 ? ? ? ? ? B ? bmse010202 3 20 ? 1 1 1 1 1 H23 H 1 2.05 ? ? 1 ? ? ? ? ? AAcMe ? bmse010202 3 21 ? 1 1 1 1 1 H24 H 1 2.05 ? ? 1 ? ? ? ? ? AAcMe ? bmse010202 3 22 ? 1 1 1 1 1 H25 H 1 2.05 ? ? 1 ? ? ? ? ? AAcMe ? bmse010202 3 23 ? 1 1 1 1 1 H32 H 1 3.63 ? ? 1 ? ? ? ? ? 4OMe ? bmse010202 3 24 ? 1 1 1 1 1 H34 H 1 3.63 ? ? 1 ? ? ? ? ? 4OMe ? bmse010202 3 25 ? 1 1 1 1 1 H33 H 1 3.63 ? ? 1 ? ? ? ? ? 4OMe ? bmse010202 3 26 ? 1 1 1 1 1 H26 H 1 3.76 ? ? 1 ? ? ? ? ? 3OMe ? bmse010202 3 27 ? 1 1 1 1 1 H28 H 1 3.76 ? ? 1 ? ? ? ? ? 3OMe ? bmse010202 3 28 ? 1 1 1 1 1 H27 H 1 3.76 ? ? 1 ? ? ? ? ? 3OMe ? bmse010202 3 29 ? 1 1 1 1 1 H29 H 1 3.76 ? ? 1 ? ? ? ? ? 5OMe ? bmse010202 3 30 ? 1 1 1 1 1 H31 H 1 3.76 ? ? 1 ? ? ? ? ? 5OMe ? bmse010202 3 31 ? 1 1 1 1 1 H30 H 1 3.76 ? ? 1 ? ? ? ? ? 5OMe ? bmse010202 3 32 ? 1 1 1 1 1 H39 H 1 5.52 ? ? 1 ? ? ? ? ? A ? bmse010202 3 33 ? 1 1 1 1 1 H37 H 1 6.60 ? ? 1 ? ? ? ? ? 2 ? bmse010202 3 34 ? 1 1 1 1 1 H38 H 1 6.60 ? ? 1 ? ? ? ? ? 6 ? bmse010202 3 stop_ save_