################################### # 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_shift_Cond1_haem _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_Cond1_haem _Assigned_chem_shift_list.Entry_ID 4800 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4800 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_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 . 2 2 1 1 HEC 1HMB H 1 3.52 0.01 . 1 . . . . . . . . 4800 1 2 . 2 2 1 1 HEC 2HMB H 1 3.52 0.01 . 1 . . . . . . . . 4800 1 3 . 2 2 1 1 HEC 3HMB H 1 3.52 0.01 . 1 . . . . . . . . 4800 1 4 . 2 2 1 1 HEC 1HMC H 1 4.34 0.01 . 1 . . . . . . . . 4800 1 5 . 2 2 1 1 HEC 2HMC H 1 4.34 0.01 . 1 . . . . . . . . 4800 1 6 . 2 2 1 1 HEC 3HMC H 1 4.34 0.01 . 1 . . . . . . . . 4800 1 7 . 2 2 1 1 HEC 1HMD H 1 3.39 0.01 . 1 . . . . . . . . 4800 1 8 . 2 2 1 1 HEC 2HMD H 1 3.39 0.01 . 1 . . . . . . . . 4800 1 9 . 2 2 1 1 HEC 3HMD H 1 3.39 0.01 . 1 . . . . . . . . 4800 1 10 . 2 2 1 1 HEC 1HMA H 1 3.36 0.01 . 1 . . . . . . . . 4800 1 11 . 2 2 1 1 HEC 2HMA H 1 3.36 0.01 . 1 . . . . . . . . 4800 1 12 . 2 2 1 1 HEC 3HMA H 1 3.36 0.01 . 1 . . . . . . . . 4800 1 13 . 2 2 1 1 HEC HHC H 1 10.27 0.01 . 1 . . . . . . . . 4800 1 14 . 2 2 1 1 HEC HHD H 1 9.52 0.01 . 1 . . . . . . . . 4800 1 15 . 2 2 1 1 HEC HHA H 1 9.36 0.01 . 1 . . . . . . . . 4800 1 16 . 2 2 1 1 HEC HHB H 1 9.31 0.01 . 1 . . . . . . . . 4800 1 17 . 2 2 1 1 HEC 1HBB H 1 5.36 0.01 . 1 . . . . . . . . 4800 1 18 . 2 2 1 1 HEC 2HBB H 1 5.36 0.01 . 1 . . . . . . . . 4800 1 19 . 2 2 1 1 HEC HAB H 1 0.63 0.01 . 1 . . . . . . . . 4800 1 20 . 2 2 1 1 HEC 1HBC H 1 6.40 0.01 . 1 . . . . . . . . 4800 1 21 . 2 2 1 1 HEC 2HBC H 1 6.40 0.01 . 1 . . . . . . . . 4800 1 22 . 2 2 1 1 HEC 3HBC H 1 6.40 0.01 . 1 . . . . . . . . 4800 1 23 . 2 2 1 1 HEC HAC H 1 2.50 0.01 . 1 . . . . . . . . 4800 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_shift_Cond1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_Cond1 _Assigned_chem_shift_list.Entry_ID 4800 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4800 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_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 69 69 HIS HD1 H 1 10.47 0.01 . 1 . . . . . . . . 4800 2 2 . 1 1 69 69 HIS HD2 H 1 0.50 0.01 . 1 . . . . . . . . 4800 2 3 . 1 1 69 69 HIS HE1 H 1 0.57 0.01 . 1 . . . . . . . . 4800 2 4 . 1 1 106 106 MET HB2 H 1 -1.87 0.01 . 2 . . . . . . . . 4800 2 5 . 1 1 106 106 MET HB3 H 1 0.27 0.01 . 2 . . . . . . . . 4800 2 6 . 1 1 106 106 MET HG2 H 1 -2.20 0.01 . 2 . . . . . . . . 4800 2 7 . 1 1 106 106 MET HG3 H 1 -0.94 0.01 . 2 . . . . . . . . 4800 2 8 . 1 1 106 106 MET HE1 H 1 -2.51 0.01 . 1 . . . . . . . . 4800 2 9 . 1 1 106 106 MET HE2 H 1 -2.51 0.01 . 1 . . . . . . . . 4800 2 10 . 1 1 106 106 MET HE3 H 1 -2.51 0.01 . 1 . . . . . . . . 4800 2 11 . 1 1 109 109 TRP HD1 H 1 5.81 0.01 . 1 . . . . . . . . 4800 2 12 . 1 1 109 109 TRP HE3 H 1 7.30 0.01 . 1 . . . . . . . . 4800 2 13 . 1 1 109 109 TRP HZ2 H 1 8.59 0.01 . 1 . . . . . . . . 4800 2 14 . 1 1 109 109 TRP HZ3 H 1 7.33 0.01 . 1 . . . . . . . . 4800 2 15 . 1 1 109 109 TRP HH2 H 1 7.85 0.01 . 1 . . . . . . . . 4800 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_shift_Cond2_haem _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_Cond2_haem _Assigned_chem_shift_list.Entry_ID 4800 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $Cond_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4800 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_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 . 2 2 1 1 HEC 1HMB H 1 3.52 0.01 . 1 . . . . . . . . 4800 3 2 . 2 2 1 1 HEC 2HMB H 1 3.52 0.01 . 1 . . . . . . . . 4800 3 3 . 2 2 1 1 HEC 3HMB H 1 3.52 0.01 . 1 . . . . . . . . 4800 3 4 . 2 2 1 1 HEC 1HMC H 1 4.32 0.01 . 1 . . . . . . . . 4800 3 5 . 2 2 1 1 HEC 2HMC H 1 4.32 0.01 . 1 . . . . . . . . 4800 3 6 . 2 2 1 1 HEC 3HMC H 1 4.32 0.01 . 1 . . . . . . . . 4800 3 7 . 2 2 1 1 HEC 1HMD H 1 3.38 0.01 . 1 . . . . . . . . 4800 3 8 . 2 2 1 1 HEC 2HMD H 1 3.38 0.01 . 1 . . . . . . . . 4800 3 9 . 2 2 1 1 HEC 3HMD H 1 3.38 0.01 . 1 . . . . . . . . 4800 3 10 . 2 2 1 1 HEC 1HMA H 1 3.36 0.01 . 1 . . . . . . . . 4800 3 11 . 2 2 1 1 HEC 2HMA H 1 3.36 0.01 . 1 . . . . . . . . 4800 3 12 . 2 2 1 1 HEC 3HMA H 1 3.36 0.01 . 1 . . . . . . . . 4800 3 13 . 2 2 1 1 HEC HHC H 1 10.26 0.01 . 1 . . . . . . . . 4800 3 14 . 2 2 1 1 HEC HHD H 1 9.50 0.01 . 1 . . . . . . . . 4800 3 15 . 2 2 1 1 HEC HHA H 1 9.39 0.01 . 1 . . . . . . . . 4800 3 16 . 2 2 1 1 HEC HHB H 1 9.31 0.01 . 1 . . . . . . . . 4800 3 17 . 2 2 1 1 HEC 1HBB H 1 5.36 0.01 . 1 . . . . . . . . 4800 3 18 . 2 2 1 1 HEC 2HBB H 1 5.36 0.01 . 1 . . . . . . . . 4800 3 19 . 2 2 1 1 HEC HAB H 1 0.68 0.01 . 1 . . . . . . . . 4800 3 20 . 2 2 1 1 HEC 1HBC H 1 6.38 0.01 . 1 . . . . . . . . 4800 3 21 . 2 2 1 1 HEC 2HBC H 1 6.38 0.01 . 1 . . . . . . . . 4800 3 22 . 2 2 1 1 HEC 3HBC H 1 6.38 0.01 . 1 . . . . . . . . 4800 3 23 . 2 2 1 1 HEC HAC H 1 2.49 0.01 . 1 . . . . . . . . 4800 3 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_shift_Cond2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_Cond2 _Assigned_chem_shift_list.Entry_ID 4800 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $Cond_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4800 4 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_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 69 69 HIS HD1 H 1 10.38 0.01 . 1 . . . . . . . . 4800 4 2 . 1 1 69 69 HIS HD2 H 1 0.48 0.01 . 1 . . . . . . . . 4800 4 3 . 1 1 69 69 HIS HE1 H 1 0.57 0.01 . 1 . . . . . . . . 4800 4 4 . 1 1 106 106 MET HB2 H 1 -1.92 0.01 . 2 . . . . . . . . 4800 4 5 . 1 1 106 106 MET HB3 H 1 0.19 0.01 . 2 . . . . . . . . 4800 4 6 . 1 1 106 106 MET HG2 H 1 -2.19 0.01 . 2 . . . . . . . . 4800 4 7 . 1 1 106 106 MET HG3 H 1 -1.06 0.01 . 2 . . . . . . . . 4800 4 8 . 1 1 106 106 MET HE1 H 1 -2.54 0.01 . 1 . . . . . . . . 4800 4 9 . 1 1 106 106 MET HE2 H 1 -2.54 0.01 . 1 . . . . . . . . 4800 4 10 . 1 1 106 106 MET HE3 H 1 -2.54 0.01 . 1 . . . . . . . . 4800 4 11 . 1 1 109 109 TRP HD1 H 1 5.82 0.01 . 1 . . . . . . . . 4800 4 12 . 1 1 109 109 TRP HE1 H 1 6.25 0.01 . 1 . . . . . . . . 4800 4 13 . 1 1 109 109 TRP HE3 H 1 7.29 0.01 . 1 . . . . . . . . 4800 4 14 . 1 1 109 109 TRP HZ2 H 1 8.57 0.01 . 1 . . . . . . . . 4800 4 15 . 1 1 109 109 TRP HZ3 H 1 7.31 0.01 . 1 . . . . . . . . 4800 4 16 . 1 1 109 109 TRP HH2 H 1 7.83 0.01 . 1 . . . . . . . . 4800 4 stop_ save_