################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19141 _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 $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' . . . 19141 1 4 '2D 1H-1H NOESY' . . . 19141 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 . 1 1 3 3 GLY H H 1 8.008 0.02 . 1 . . . . 3 GLY H . 19141 1 2 . 1 1 3 3 GLY HA2 H 1 3.912 0.02 . 2 . . . . 3 GLY HA2 . 19141 1 3 . 1 1 4 4 PHE H H 1 8.133 0.02 . 1 . . . . 4 PHE H . 19141 1 4 . 1 1 4 4 PHE HA H 1 4.683 0.02 . 1 . . . . 4 PHE HA . 19141 1 5 . 1 1 4 4 PHE HB2 H 1 3.078 0.02 . 2 . . . . 4 PHE HB2 . 19141 1 6 . 1 1 4 4 PHE HB3 H 1 3.196 0.02 . 2 . . . . 4 PHE HB3 . 19141 1 7 . 1 1 5 5 SER H H 1 8.255 0.02 . 1 . . . . 5 SER H . 19141 1 8 . 1 1 5 5 SER HA H 1 4.444 0.02 . 1 . . . . 5 SER HA . 19141 1 9 . 1 1 5 5 SER HB2 H 1 3.860 0.02 . 2 . . . . 5 SER HB2 . 19141 1 10 . 1 1 7 7 ARG H H 1 8.273 0.02 . 1 . . . . 7 ARG H . 19141 1 11 . 1 1 7 7 ARG HA H 1 4.354 0.02 . 1 . . . . 7 ARG HA . 19141 1 12 . 1 1 7 7 ARG HB2 H 1 1.790 0.02 . 2 . . . . 7 ARG HB2 . 19141 1 13 . 1 1 7 7 ARG HG2 H 1 1.638 0.02 . 2 . . . . 7 ARG HG2 . 19141 1 14 . 1 1 8 8 ILE H H 1 8.144 0.02 . 1 . . . . 8 ILE H . 19141 1 15 . 1 1 8 8 ILE HA H 1 4.197 0.02 . 1 . . . . 8 ILE HA . 19141 1 16 . 1 1 8 8 ILE HB H 1 1.870 0.02 . 1 . . . . 8 ILE HB2 . 19141 1 17 . 1 1 9 9 ARG H H 1 8.361 0.02 . 1 . . . . 9 ARG H . 19141 1 18 . 1 1 9 9 ARG HA H 1 4.663 0.02 . 1 . . . . 9 ARG HA . 19141 1 19 . 1 1 9 9 ARG HB2 H 1 1.873 0.02 . 2 . . . . 9 ARG HB2 . 19141 1 20 . 1 1 9 9 ARG HB3 H 1 1.768 0.02 . 2 . . . . 9 ARG HB3 . 19141 1 21 . 1 1 10 10 PRO HA H 1 4.431 0.02 . 1 . . . . 10 PRO HA . 19141 1 22 . 1 1 11 11 LYS H H 1 8.308 0.02 . 1 . . . . 11 LYS H . 19141 1 23 . 1 1 11 11 LYS HA H 1 4.277 0.02 . 1 . . . . 11 LYS HA . 19141 1 24 . 1 1 11 11 LYS HB2 H 1 1.781 0.02 . 2 . . . . 11 LYS HB2 . 19141 1 25 . 1 1 12 12 LEU H H 1 8.196 0.02 . 1 . . . . 12 LEU H . 19141 1 26 . 1 1 12 12 LEU HA H 1 4.345 0.02 . 1 . . . . 12 LEU HA . 19141 1 27 . 1 1 12 12 LEU HB2 H 1 1.585 0.02 . 2 . . . . 12 LEU HB2 . 19141 1 28 . 1 1 12 12 LEU HB3 H 1 1.425 0.02 . 2 . . . . 12 LEU HB3 . 19141 1 29 . 1 1 13 13 LYS H H 1 8.107 0.02 . 1 . . . . 13 LYS H . 19141 1 30 . 1 1 13 13 LYS HA H 1 4.247 0.02 . 1 . . . . 13 LYS HA . 19141 1 31 . 1 1 13 13 LYS HB2 H 1 1.696 0.02 . 2 . . . . 13 LYS HB2 . 19141 1 32 . 1 1 14 14 TRP H H 1 7.992 0.02 . 1 . . . . 14 TRP H . 19141 1 33 . 1 1 14 14 TRP HA H 1 4.748 0.02 . 1 . . . . 14 TRP HA . 19141 1 34 . 1 1 14 14 TRP HB2 H 1 3.371 0.02 . 2 . . . . 14 TRP HB2 . 19141 1 35 . 1 1 14 14 TRP HB3 H 1 3.266 0.02 . 2 . . . . 14 TRP HB3 . 19141 1 36 . 1 1 15 15 ASP H H 1 8.100 0.02 . 1 . . . . 15 ASP H . 19141 1 37 . 1 1 15 15 ASP HA H 1 4.610 0.02 . 1 . . . . 15 ASP HA . 19141 1 38 . 1 1 15 15 ASP HB2 H 1 2.579 0.02 . 2 . . . . 15 ASP HB2 . 19141 1 39 . 1 1 16 16 ASN H H 1 8.181 0.02 . 1 . . . . 16 ASN H . 19141 1 40 . 1 1 16 16 ASN HA H 1 4.670 0.02 . 1 . . . . 16 ASN HA . 19141 1 41 . 1 1 16 16 ASN HB2 H 1 2.742 0.02 . 2 . . . . 16 ASN HB2 . 19141 1 42 . 1 1 16 16 ASN HB3 H 1 2.852 0.02 . 2 . . . . 16 ASN HB3 . 19141 1 43 . 1 1 17 17 GLN H H 1 7.850 0.02 . 1 . . . . 17 GLN H . 19141 1 44 . 1 1 17 17 GLN HA H 1 4.188 0.02 . 1 . . . . 17 GLN HA . 19141 1 45 . 1 1 17 17 GLN HB2 H 1 2.147 0.02 . 2 . . . . 17 GLN HB2 . 19141 1 46 . 1 1 17 17 GLN HB3 H 1 1.958 0.02 . 2 . . . . 17 GLN HB3 . 19141 1 47 . 1 1 17 17 GLN HG2 H 1 2.305 0.02 . 2 . . . . 17 GLN HG2 . 19141 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_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 19141 _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 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 2 '2D 1H-1H NOESY' . . . 19141 2 3 '2D 1H-1H TOCSY' . . . 19141 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 3 3 GLY H H 1 8.016 0.02 . 1 . . . . 3 GLY H . 19141 2 2 . 1 1 3 3 GLY HA2 H 1 3.910 0.02 . 2 . . . . 3 GLY HA2 . 19141 2 3 . 1 1 4 4 PHE H H 1 8.185 0.02 . 1 . . . . 4 PHE H . 19141 2 4 . 1 1 4 4 PHE HA H 1 4.643 0.02 . 1 . . . . 4 PHE HA . 19141 2 5 . 1 1 4 4 PHE HB2 H 1 3.176 0.02 . 2 . . . . 4 PHE HB2 . 19141 2 6 . 1 1 4 4 PHE HB3 H 1 3.084 0.02 . 2 . . . . 4 PHE HB3 . 19141 2 7 . 1 1 5 5 SER H H 1 8.293 0.02 . 1 . . . . 5 SER H . 19141 2 8 . 1 1 5 5 SER HA H 1 4.401 0.02 . 1 . . . . 5 SER HA . 19141 2 9 . 1 1 5 5 SER HB2 H 1 3.899 0.02 . 2 . . . . 5 SER HB2 . 19141 2 10 . 1 1 5 5 SER HB3 H 1 3.857 0.02 . 2 . . . . 5 SER HB3 . 19141 2 11 . 1 1 7 7 ARG H H 1 8.217 0.02 . 1 . . . . 7 ARG H . 19141 2 12 . 1 1 7 7 ARG HA H 1 4.375 0.02 . 1 . . . . 7 ARG HA . 19141 2 13 . 1 1 7 7 ARG HB2 H 1 1.786 0.02 . 2 . . . . 7 ARG HB2 . 19141 2 14 . 1 1 8 8 ILE H H 1 8.058 0.02 . 1 . . . . 8 ILE H . 19141 2 15 . 1 1 8 8 ILE HA H 1 4.195 0.02 . 1 . . . . 8 ILE HA . 19141 2 16 . 1 1 8 8 ILE HB H 1 1.868 0.02 . 1 . . . . 8 ILE HB2 . 19141 2 17 . 1 1 9 9 ARG H H 1 8.289 0.02 . 1 . . . . 9 ARG H . 19141 2 18 . 1 1 9 9 ARG HA H 1 4.620 0.02 . 1 . . . . 9 ARG HA . 19141 2 19 . 1 1 9 9 ARG HB2 H 1 1.886 0.02 . 2 . . . . 9 ARG HB2 . 19141 2 20 . 1 1 9 9 ARG HB3 H 1 1.772 0.02 . 2 . . . . 9 ARG HB3 . 19141 2 21 . 1 1 10 10 PRO HA H 1 4.443 0.02 . 1 . . . . 10 PRO HA . 19141 2 22 . 1 1 11 11 LYS H H 1 8.266 0.02 . 1 . . . . 11 LYS H . 19141 2 23 . 1 1 11 11 LYS HA H 1 4.283 0.02 . 1 . . . . 11 LYS HA . 19141 2 24 . 1 1 11 11 LYS HB2 H 1 1.792 0.02 . 2 . . . . 11 LYS HB2 . 19141 2 25 . 1 1 12 12 LEU H H 1 8.053 0.02 . 1 . . . . 12 LEU H . 19141 2 26 . 1 1 12 12 LEU HA H 1 4.276 0.02 . 1 . . . . 12 LEU HA . 19141 2 27 . 1 1 12 12 LEU HB2 H 1 1.718 0.02 . 2 . . . . 12 LEU HB2 . 19141 2 28 . 1 1 13 13 LYS H H 1 8.175 0.02 . 1 . . . . 13 LYS H . 19141 2 29 . 1 1 13 13 LYS HA H 1 4.380 0.02 . 1 . . . . 13 LYS HA . 19141 2 30 . 1 1 13 13 LYS HB2 H 1 1.581 0.02 . 2 . . . . 13 LYS HB2 . 19141 2 31 . 1 1 13 13 LYS HB3 H 1 1.417 0.02 . 2 . . . . 13 LYS HB3 . 19141 2 32 . 1 1 14 14 TRP H H 1 8.063 0.02 . 1 . . . . 14 TRP H . 19141 2 33 . 1 1 14 14 TRP HA H 1 4.750 0.02 . 1 . . . . 14 TRP HA . 19141 2 34 . 1 1 14 14 TRP HB2 H 1 3.364 0.02 . 2 . . . . 14 TRP HB2 . 19141 2 35 . 1 1 15 15 ASP H H 1 8.122 0.02 . 1 . . . . 15 ASP H . 19141 2 36 . 1 1 15 15 ASP HA H 1 4.617 0.02 . 1 . . . . 15 ASP HA . 19141 2 37 . 1 1 15 15 ASP HB2 H 1 2.596 0.02 . 2 . . . . 15 ASP HB2 . 19141 2 38 . 1 1 16 16 ASN H H 1 8.229 0.02 . 1 . . . . 16 ASN H . 19141 2 39 . 1 1 16 16 ASN HA H 1 4.670 0.02 . 1 . . . . 16 ASN HA . 19141 2 40 . 1 1 16 16 ASN HB2 H 1 2.849 0.02 . 2 . . . . 16 ASN HB2 . 19141 2 41 . 1 1 16 16 ASN HB3 H 1 2.741 0.02 . 2 . . . . 16 ASN HB3 . 19141 2 42 . 1 1 17 17 GLN H H 1 7.860 0.02 . 1 . . . . 17 GLN H . 19141 2 43 . 1 1 17 17 GLN HA H 1 4.167 0.02 . 1 . . . . 17 GLN HA . 19141 2 44 . 1 1 17 17 GLN HB2 H 1 2.140 0.02 . 2 . . . . 17 GLN HB2 . 19141 2 45 . 1 1 17 17 GLN HB3 H 1 1.958 0.02 . 2 . . . . 17 GLN HB3 . 19141 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_chem_shift_list_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 19141 _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 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 5 '2D 1H-1H TOCSY' . . . 19141 3 6 '2D 1H-1H NOESY' . . . 19141 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 . 1 1 3 3 GLY H H 1 8.001 0.02 . 1 . . . . 3 GLY HN . 19141 3 2 . 1 1 3 3 GLY HA2 H 1 3.913 0.02 . 2 . . . . 3 GLY HA2 . 19141 3 3 . 1 1 4 4 PHE H H 1 8.220 0.02 . 1 . . . . 4 PHE H . 19141 3 4 . 1 1 4 4 PHE HA H 1 4.620 0.02 . 1 . . . . 4 PHE HA . 19141 3 5 . 1 1 5 5 SER H H 1 8.319 0.02 . 1 . . . . 5 SER H . 19141 3 6 . 1 1 5 5 SER HA H 1 4.387 0.02 . 1 . . . . 5 SER HA . 19141 3 7 . 1 1 6 6 ARG H H 1 8.190 0.02 . 1 . . . . 6 ARG H . 19141 3 8 . 1 1 6 6 ARG HA H 1 4.300 0.02 . 1 . . . . 6 ARG HA . 19141 3 9 . 1 1 7 7 ARG H H 1 8.205 0.02 . 1 . . . . 7 ARG H . 19141 3 10 . 1 1 7 7 ARG HA H 1 4.394 0.02 . 1 . . . . 7 ARG HA . 19141 3 11 . 1 1 8 8 ILE H H 1 8.004 0.02 . 1 . . . . 8 ILE H . 19141 3 12 . 1 1 8 8 ILE HA H 1 4.193 0.02 . 1 . . . . 8 ILE HA . 19141 3 13 . 1 1 9 9 ARG H H 1 8.239 0.02 . 1 . . . . 9 ARG H . 19141 3 14 . 1 1 9 9 ARG HA H 1 4.603 0.02 . 1 . . . . 9 ARG HA . 19141 3 15 . 1 1 10 10 PRO HA H 1 4.451 0.02 . 1 . . . . 10 PRO HA . 19141 3 16 . 1 1 11 11 LYS H H 1 8.239 0.02 . 1 . . . . 11 LYS H . 19141 3 17 . 1 1 11 11 LYS HA H 1 4.295 0.02 . 1 . . . . 11 LYS HA . 19141 3 18 . 1 1 12 12 LEU H H 1 8.159 0.02 . 1 . . . . 12 LEU H . 19141 3 19 . 1 1 12 12 LEU HA H 1 4.369 0.02 . 1 . . . . 12 LEU HA . 19141 3 20 . 1 1 13 13 LYS H H 1 8.026 0.02 . 1 . . . . 13 LYS H . 19141 3 21 . 1 1 13 13 LYS HA H 1 4.290 0.02 . 1 . . . . 13 LYS HA . 19141 3 22 . 1 1 14 14 TRP H H 1 8.097 0.02 . 1 . . . . 14 TRP H . 19141 3 23 . 1 1 14 14 TRP HA H 1 4.744 0.02 . 1 . . . . 14 TRP HA . 19141 3 24 . 1 1 14 14 TRP HB2 H 1 3.368 0.02 . 2 . . . . 14 TRP HB2 . 19141 3 25 . 1 1 14 14 TRP HB3 H 1 3.219 0.02 . 2 . . . . 14 TRP HB3 . 19141 3 26 . 1 1 15 15 ASP H H 1 8.144 0.02 . 1 . . . . 15 ASP H . 19141 3 27 . 1 1 15 15 ASP HA H 1 4.626 0.02 . 1 . . . . 15 ASP HA . 19141 3 28 . 1 1 15 15 ASP HB2 H 1 2.597 0.02 . 2 . . . . 15 ASP HB2 . 19141 3 29 . 1 1 16 16 ASN H H 1 8.250 0.02 . 1 . . . . 16 ASN H . 19141 3 30 . 1 1 16 16 ASN HA H 1 4.679 0.02 . 1 . . . . 16 ASN HA . 19141 3 31 . 1 1 16 16 ASN HB2 H 1 2.848 0.02 . 2 . . . . 16 ASN HB2 . 19141 3 32 . 1 1 16 16 ASN HB3 H 1 2.731 0.02 . 2 . . . . 16 ASN HB3 . 19141 3 33 . 1 1 17 17 GLN H H 1 7.868 0.02 . 1 . . . . 17 GLN H . 19141 3 34 . 1 1 17 17 GLN HA H 1 4.168 0.02 . 1 . . . . 17 GLN HA . 19141 3 stop_ save_