data_4065 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4065 _Entry.Title ; Sequence-Specific Resonance Assignments for a Designed Four-Alpha-Helix-Bundle Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1997-10-03 _Entry.Accession_date 1997-01-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jack Skalicky . J. . 4065 2 Ramona Bieber . J. . 4065 3 Brian Gibney . R. . 4065 4 Francesc Rabanal . . . 4065 5 Leslie Dutton . P. . 4065 6 Joshua Wand . A. . 4065 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4065 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 263 4065 '15N chemical shifts' 60 4065 '1H chemical shifts' 391 4065 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 1998-10-14 . original author 'Original release.' 4065 1 . . 2002-08-12 . update BMRB 'Modify the saveframe name.' 4065 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4065 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Skalicky, J. J., Bieber, R. J., Gibney, B. R., Rabanal, F. , Dutton, L. P., and Wand, J. A., "Sequence-Specific Resonance Assignments for a Designed Four-Alpha-Helix-Bundle Protein," J. Biomol. NMR 11, 227-228 (1998). ; _Citation.Title ; Sequence-Specific Resonance Assignments for a Designed Four-Alpha-Helix-Bundle Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 227 _Citation.Page_last 228 _Citation.Year 1998 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jack Skalicky . J. . 4065 1 2 Ramona Bieber . J. . 4065 1 3 Brian Gibney . R. . 4065 1 4 Francesc Rabanal . . . 4065 1 5 Leslie Dutton . P. . 4065 1 6 Joshua Wand . A. . 4065 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'coiled coils' 4065 1 'Designed Proteins' 4065 1 'four helix bundles' 4065 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_H10H24-L6I_L13F _Assembly.Sf_category assembly _Assembly.Sf_framecode system_H10H24-L6I_L13F _Assembly.Entry_ID 4065 _Assembly.ID 1 _Assembly.Name 'designed four-alpha-helix bundle protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; Chain A and chain C are equivalent Chain B and chain D are equivalent ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID tetramer 4065 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 chain_A 1 $H10H24-L6I_L13F . . . native . . A1 . . 4065 1 2 chain_B 1 $H10H24-L6I_L13F . . . native . . B1 . . 4065 1 3 chain_C 1 $H10H24-L6I_L13F . . . native . . A1 . . 4065 1 4 chain_D 1 $H10H24-L6I_L13F . . . native . . B1 . . 4065 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 1 1 SG . 2 . 1 CYS 1 1 SG . . . . . . . . . . 4065 1 2 disulfide single . 3 . 1 CYS 1 1 SG . 4 . 1 CYS 1 1 SG . . . . . . . . . . 4065 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'designed four-alpha-helix bundle protein' system 4065 1 H10H24-L6I,L13F abbreviation 4065 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_H10H24-L6I_L13F _Entity.Sf_category entity _Entity.Sf_framecode H10H24-L6I_L13F _Entity.Entry_ID 4065 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name H10H24-L6I,L13F _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CGGGEIWKLHEEFLKKFEEL LKLHEERLKKL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 31 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; This molecule contains two identical peptide chains (A and B) that are covalently crosslinked at Cys1. They are magnetically inequivalent when folded to a compact structure. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2005-12-09 loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID H10H24-L6I,L13F abbreviation 4065 1 H10H24-L6I,L13F common 4065 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CYS . 4065 1 2 . GLY . 4065 1 3 . GLY . 4065 1 4 . GLY . 4065 1 5 . GLU . 4065 1 6 . ILE . 4065 1 7 . TRP . 4065 1 8 . LYS . 4065 1 9 . LEU . 4065 1 10 . HIS . 4065 1 11 . GLU . 4065 1 12 . GLU . 4065 1 13 . PHE . 4065 1 14 . LEU . 4065 1 15 . LYS . 4065 1 16 . LYS . 4065 1 17 . PHE . 4065 1 18 . GLU . 4065 1 19 . GLU . 4065 1 20 . LEU . 4065 1 21 . LEU . 4065 1 22 . LYS . 4065 1 23 . LEU . 4065 1 24 . HIS . 4065 1 25 . GLU . 4065 1 26 . GLU . 4065 1 27 . ARG . 4065 1 28 . LEU . 4065 1 29 . LYS . 4065 1 30 . LYS . 4065 1 31 . LEU . 4065 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . CYS 1 1 4065 1 . GLY 2 2 4065 1 . GLY 3 3 4065 1 . GLY 4 4 4065 1 . GLU 5 5 4065 1 . ILE 6 6 4065 1 . TRP 7 7 4065 1 . LYS 8 8 4065 1 . LEU 9 9 4065 1 . HIS 10 10 4065 1 . GLU 11 11 4065 1 . GLU 12 12 4065 1 . PHE 13 13 4065 1 . LEU 14 14 4065 1 . LYS 15 15 4065 1 . LYS 16 16 4065 1 . PHE 17 17 4065 1 . GLU 18 18 4065 1 . GLU 19 19 4065 1 . LEU 20 20 4065 1 . LEU 21 21 4065 1 . LYS 22 22 4065 1 . LEU 23 23 4065 1 . HIS 24 24 4065 1 . GLU 25 25 4065 1 . GLU 26 26 4065 1 . ARG 27 27 4065 1 . LEU 28 28 4065 1 . LYS 29 29 4065 1 . LYS 30 30 4065 1 . LEU 31 31 4065 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4065 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $H10H24-L6I_L13F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4065 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 4065 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $H10H24-L6I_L13F . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . 'chemical synthesis' . . 4065 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4065 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 H10H24-L6I,L13F . . . 1 $H10H24-L6I_L13F . . 1.5 . . mM . . . . 4065 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4065 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.150 0.01 mu 4065 1 pH 6.60 0.02 n/a 4065 1 pressure 760 10 'mm Hg' 4065 1 temperature 305.5 0.2 K 4065 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4065 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4065 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 4065 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 4065 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 4065 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4065 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS . . . . . ppm 0.0 external indirect 0.251449530 . . . . . . . . . 4065 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 'external to the sample' cylindrical parallel . . . . . . 4065 1 N 15 DSS . . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 4065 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_chemical_shift_assignment_H10H24-L6I_L13F-chain_A _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_H10H24-L6I_L13F-chain_A _Assigned_chem_shift_list.Entry_ID 4065 _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 _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_one . 4065 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 1 1 CYS HA H 1 4.94 0.02 . 1 . . . . . . . . 4065 1 2 . 1 1 1 1 CYS HB2 H 1 3.32 0.02 . 2 . . . . . . . . 4065 1 3 . 1 1 1 1 CYS HB3 H 1 3.15 0.02 . 2 . . . . . . . . 4065 1 4 . 1 1 1 1 CYS C C 13 174.72 0.2 . 1 . . . . . . . . 4065 1 5 . 1 1 1 1 CYS CA C 13 55.14 0.2 . 1 . . . . . . . . 4065 1 6 . 1 1 1 1 CYS CB C 13 41.01 0.2 . 1 . . . . . . . . 4065 1 7 . 1 1 2 2 GLY H H 1 8.62 0.02 . 1 . . . . . . . . 4065 1 8 . 1 1 2 2 GLY HA2 H 1 4.27 0.02 . 2 . . . . . . . . 4065 1 9 . 1 1 2 2 GLY HA3 H 1 4.06 0.02 . 2 . . . . . . . . 4065 1 10 . 1 1 2 2 GLY CA C 13 45.18 0.2 . 1 . . . . . . . . 4065 1 11 . 1 1 2 2 GLY N N 15 110.96 0.2 . 1 . . . . . . . . 4065 1 12 . 1 1 3 3 GLY H H 1 8.52 0.02 . 1 . . . . . . . . 4065 1 13 . 1 1 3 3 GLY HA2 H 1 4.16 0.02 . 2 . . . . . . . . 4065 1 14 . 1 1 3 3 GLY HA3 H 1 4.95 0.02 . 2 . . . . . . . . 4065 1 15 . 1 1 3 3 GLY CA C 13 45.70 0.1 . 1 . . . . . . . . 4065 1 16 . 1 1 3 3 GLY N N 15 108.81 0.1 . 1 . . . . . . . . 4065 1 17 . 1 1 4 4 GLY H H 1 8.73 0.02 . 1 . . . . . . . . 4065 1 18 . 1 1 4 4 GLY HA2 H 1 4.09 0.02 . 1 . . . . . . . . 4065 1 19 . 1 1 4 4 GLY HA3 H 1 4.09 0.02 . 1 . . . . . . . . 4065 1 20 . 1 1 4 4 GLY C C 13 174.84 . . 1 . . . . . . . . 4065 1 21 . 1 1 4 4 GLY CA C 13 46.56 . . 1 . . . . . . . . 4065 1 22 . 1 1 4 4 GLY N N 15 109.77 . . 1 . . . . . . . . 4065 1 23 . 1 1 5 5 GLU H H 1 8.61 0.02 . 1 . . . . . . . . 4065 1 24 . 1 1 5 5 GLU HA H 1 4.23 0.02 . 1 . . . . . . . . 4065 1 25 . 1 1 5 5 GLU HB2 H 1 2.16 0.02 . 1 . . . . . . . . 4065 1 26 . 1 1 5 5 GLU HB3 H 1 2.16 0.02 . 1 . . . . . . . . 4065 1 27 . 1 1 5 5 GLU HG2 H 1 2.41 0.02 . 1 . . . . . . . . 4065 1 28 . 1 1 5 5 GLU HG3 H 1 2.41 0.02 . 1 . . . . . . . . 4065 1 29 . 1 1 5 5 GLU C C 13 178.32 0.2 . 1 . . . . . . . . 4065 1 30 . 1 1 5 5 GLU CA C 13 58.61 0.2 . 1 . . . . . . . . 4065 1 31 . 1 1 5 5 GLU CB C 13 29.15 0.2 . 1 . . . . . . . . 4065 1 32 . 1 1 5 5 GLU CG C 13 36.37 0.2 . 1 . . . . . . . . 4065 1 33 . 1 1 5 5 GLU N N 15 121.57 0.2 . 1 . . . . . . . . 4065 1 34 . 1 1 6 6 ILE H H 1 7.89 0.02 . 1 . . . . . . . . 4065 1 35 . 1 1 6 6 ILE HA H 1 3.86 0.02 . 1 . . . . . . . . 4065 1 36 . 1 1 6 6 ILE HB H 1 2.03 0.02 . 1 . . . . . . . . 4065 1 37 . 1 1 6 6 ILE HG12 H 1 1.54 0.02 . 2 . . . . . . . . 4065 1 38 . 1 1 6 6 ILE HG13 H 1 1.37 0.02 . 2 . . . . . . . . 4065 1 39 . 1 1 6 6 ILE HG21 H 1 0.83 0.02 . 1 . . . . . . . . 4065 1 40 . 1 1 6 6 ILE HG22 H 1 0.83 0.02 . 1 . . . . . . . . 4065 1 41 . 1 1 6 6 ILE HG23 H 1 0.83 0.02 . 1 . . . . . . . . 4065 1 42 . 1 1 6 6 ILE HD11 H 1 0.83 0.02 . 1 . . . . . . . . 4065 1 43 . 1 1 6 6 ILE HD12 H 1 0.83 0.02 . 1 . . . . . . . . 4065 1 44 . 1 1 6 6 ILE HD13 H 1 0.83 0.02 . 1 . . . . . . . . 4065 1 45 . 1 1 6 6 ILE C C 13 177.53 0.2 . 1 . . . . . . . . 4065 1 46 . 1 1 6 6 ILE CA C 13 62.65 0.2 . 1 . . . . . . . . 4065 1 47 . 1 1 6 6 ILE CB C 13 36.41 0.2 . 1 . . . . . . . . 4065 1 48 . 1 1 6 6 ILE CG1 C 13 28.35 0.2 . 1 . . . . . . . . 4065 1 49 . 1 1 6 6 ILE CG2 C 13 18.03 0.2 . 1 . . . . . . . . 4065 1 50 . 1 1 6 6 ILE CD1 C 13 11.47 0.2 . 1 . . . . . . . . 4065 1 51 . 1 1 6 6 ILE N N 15 119.58 0.2 . 1 . . . . . . . . 4065 1 52 . 1 1 7 7 TRP H H 1 8.17 0.02 . 1 . . . . . . . . 4065 1 53 . 1 1 7 7 TRP HA H 1 4.50 0.02 . 1 . . . . . . . . 4065 1 54 . 1 1 7 7 TRP HB2 H 1 3.63 0.02 . 2 . . . . . . . . 4065 1 55 . 1 1 7 7 TRP HB3 H 1 3.27 0.02 . 2 . . . . . . . . 4065 1 56 . 1 1 7 7 TRP C C 13 176.91 0.2 . 1 . . . . . . . . 4065 1 57 . 1 1 7 7 TRP CA C 13 59.78 0.2 . 1 . . . . . . . . 4065 1 58 . 1 1 7 7 TRP CB C 13 28.67 0.2 . 1 . . . . . . . . 4065 1 59 . 1 1 7 7 TRP N N 15 120.31 0.2 . 1 . . . . . . . . 4065 1 60 . 1 1 8 8 LYS H H 1 7.55 0.02 . 1 . . . . . . . . 4065 1 61 . 1 1 8 8 LYS HA H 1 3.98 0.02 . . . . . . . . . . 4065 1 62 . 1 1 8 8 LYS HB2 H 1 1.92 0.02 . 1 . . . . . . . . 4065 1 63 . 1 1 8 8 LYS HB3 H 1 1.92 0.02 . 1 . . . . . . . . 4065 1 64 . 1 1 8 8 LYS HG2 H 1 1.61 0.02 . 4 . . . . . . . . 4065 1 65 . 1 1 8 8 LYS HG3 H 1 1.53 0.02 . 4 . . . . . . . . 4065 1 66 . 1 1 8 8 LYS HD2 H 1 1.77 0.02 . 4 . . . . . . . . 4065 1 67 . 1 1 8 8 LYS HD3 H 1 1.77 0.02 . 4 . . . . . . . . 4065 1 68 . 1 1 8 8 LYS C C 13 179.42 0.2 . 1 . . . . . . . . 4065 1 69 . 1 1 8 8 LYS CA C 13 58.98 0.2 . 1 . . . . . . . . 4065 1 70 . 1 1 8 8 LYS CB C 13 31.87 0.2 . 1 . . . . . . . . 4065 1 71 . 1 1 8 8 LYS CG C 13 24.87 0.2 . 1 . . . . . . . . 4065 1 72 . 1 1 8 8 LYS CD C 13 28.86 0.2 . 1 . . . . . . . . 4065 1 73 . 1 1 8 8 LYS N N 15 115.43 0.2 . 1 . . . . . . . . 4065 1 74 . 1 1 9 9 LEU H H 1 7.46 0.02 . 1 . . . . . . . . 4065 1 75 . 1 1 9 9 LEU HA H 1 4.36 0.02 . 1 . . . . . . . . 4065 1 76 . 1 1 9 9 LEU HB2 H 1 2.29 0.02 . 2 . . . . . . . . 4065 1 77 . 1 1 9 9 LEU HB3 H 1 1.68 0.02 . 2 . . . . . . . . 4065 1 78 . 1 1 9 9 LEU HG H 1 2.02 0.02 . 1 . . . . . . . . 4065 1 79 . 1 1 9 9 LEU HD11 H 1 1.13 0.02 . 1 . . . . . . . . 4065 1 80 . 1 1 9 9 LEU HD12 H 1 1.13 0.02 . 1 . . . . . . . . 4065 1 81 . 1 1 9 9 LEU HD13 H 1 1.13 0.02 . 1 . . . . . . . . 4065 1 82 . 1 1 9 9 LEU HD21 H 1 0.96 0.02 . 1 . . . . . . . . 4065 1 83 . 1 1 9 9 LEU HD22 H 1 0.96 0.02 . 1 . . . . . . . . 4065 1 84 . 1 1 9 9 LEU HD23 H 1 0.96 0.02 . 1 . . . . . . . . 4065 1 85 . 1 1 9 9 LEU C C 13 179.20 0.2 . 1 . . . . . . . . 4065 1 86 . 1 1 9 9 LEU CA C 13 57.34 0.2 . 1 . . . . . . . . 4065 1 87 . 1 1 9 9 LEU CB C 13 41.85 0.2 . 1 . . . . . . . . 4065 1 88 . 1 1 9 9 LEU CG C 13 26.87 0.2 . 1 . . . . . . . . 4065 1 89 . 1 1 9 9 LEU CD1 C 13 27.18 0.2 . 1 . . . . . . . . 4065 1 90 . 1 1 9 9 LEU CD2 C 13 22.74 0.2 . 1 . . . . . . . . 4065 1 91 . 1 1 9 9 LEU N N 15 118.63 0.2 . 1 . . . . . . . . 4065 1 92 . 1 1 10 10 HIS H H 1 7.54 0.02 . 1 . . . . . . . . 4065 1 93 . 1 1 10 10 HIS HA H 1 4.71 0.02 . 1 . . . . . . . . 4065 1 94 . 1 1 10 10 HIS HB2 H 1 2.83 0.02 . 2 . . . . . . . . 4065 1 95 . 1 1 10 10 HIS HB3 H 1 2.67 0.02 . 2 . . . . . . . . 4065 1 96 . 1 1 10 10 HIS C C 13 178.11 0.2 . 1 . . . . . . . . 4065 1 97 . 1 1 10 10 HIS CA C 13 57.85 0.2 . 1 . . . . . . . . 4065 1 98 . 1 1 10 10 HIS CB C 13 29.79 0.2 . 1 . . . . . . . . 4065 1 99 . 1 1 10 10 HIS N N 15 120.97 0.2 . 1 . . . . . . . . 4065 1 100 . 1 1 11 11 GLU H H 1 8.59 0.02 . 1 . . . . . . . . 4065 1 101 . 1 1 11 11 GLU HA H 1 3.78 0.02 . 1 . . . . . . . . 4065 1 102 . 1 1 11 11 GLU HB2 H 1 1.97 0.02 . 2 . . . . . . . . 4065 1 103 . 1 1 11 11 GLU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 4065 1 104 . 1 1 11 11 GLU HG2 H 1 2.23 0.02 . 2 . . . . . . . . 4065 1 105 . 1 1 11 11 GLU HG3 H 1 2.14 0.02 . 2 . . . . . . . . 4065 1 106 . 1 1 11 11 GLU C C 13 178.96 0.2 . 1 . . . . . . . . 4065 1 107 . 1 1 11 11 GLU CA C 13 59.70 0.2 . 1 . . . . . . . . 4065 1 108 . 1 1 11 11 GLU CB C 13 29.56 0.2 . 1 . . . . . . . . 4065 1 109 . 1 1 11 11 GLU CG C 13 36.78 0.2 . 1 . . . . . . . . 4065 1 110 . 1 1 11 11 GLU N N 15 119.09 0.2 . 1 . . . . . . . . 4065 1 111 . 1 1 12 12 GLU H H 1 7.95 0.02 . 1 . . . . . . . . 4065 1 112 . 1 1 12 12 GLU HA H 1 4.20 0.02 . 1 . . . . . . . . 4065 1 113 . 1 1 12 12 GLU HB2 H 1 1.93 0.02 . 1 . . . . . . . . 4065 1 114 . 1 1 12 12 GLU HB3 H 1 1.93 0.02 . 1 . . . . . . . . 4065 1 115 . 1 1 12 12 GLU HG2 H 1 2.35 0.02 . 4 . . . . . . . . 4065 1 116 . 1 1 12 12 GLU HG3 H 1 2.25 0.02 . 4 . . . . . . . . 4065 1 117 . 1 1 12 12 GLU C C 13 178.95 0.2 . 1 . . . . . . . . 4065 1 118 . 1 1 12 12 GLU CA C 13 59.35 0.2 . 1 . . . . . . . . 4065 1 119 . 1 1 12 12 GLU CB C 13 28.98 0.2 . 1 . . . . . . . . 4065 1 120 . 1 1 12 12 GLU CG C 13 35.87 0.2 . 1 . . . . . . . . 4065 1 121 . 1 1 12 12 GLU N N 15 120.34 0.2 . 1 . . . . . . . . 4065 1 122 . 1 1 13 13 PHE H H 1 8.26 0.02 . 1 . . . . . . . . 4065 1 123 . 1 1 13 13 PHE HA H 1 4.32 0.02 . 1 . . . . . . . . 4065 1 124 . 1 1 13 13 PHE HB2 H 1 3.25 0.02 . 2 . . . . . . . . 4065 1 125 . 1 1 13 13 PHE HB3 H 1 2.88 0.02 . 2 . . . . . . . . 4065 1 126 . 1 1 13 13 PHE C C 13 176.08 0.2 . 1 . . . . . . . . 4065 1 127 . 1 1 13 13 PHE CA C 13 61.29 0.2 . 1 . . . . . . . . 4065 1 128 . 1 1 13 13 PHE CB C 13 38.32 0.2 . 1 . . . . . . . . 4065 1 129 . 1 1 13 13 PHE N N 15 121.09 0.2 . 1 . . . . . . . . 4065 1 130 . 1 1 14 14 LEU H H 1 8.40 0.02 . 1 . . . . . . . . 4065 1 131 . 1 1 14 14 LEU HA H 1 3.80 0.02 . 1 . . . . . . . . 4065 1 132 . 1 1 14 14 LEU HB2 H 1 2.04 0.02 . 2 . . . . . . . . 4065 1 133 . 1 1 14 14 LEU HB3 H 1 1.64 0.02 . 2 . . . . . . . . 4065 1 134 . 1 1 14 14 LEU HG H 1 1.87 0.02 . 1 . . . . . . . . 4065 1 135 . 1 1 14 14 LEU HD11 H 1 1.08 0.02 . 1 . . . . . . . . 4065 1 136 . 1 1 14 14 LEU HD12 H 1 1.08 0.02 . 1 . . . . . . . . 4065 1 137 . 1 1 14 14 LEU HD13 H 1 1.08 0.02 . 1 . . . . . . . . 4065 1 138 . 1 1 14 14 LEU HD21 H 1 1.01 0.02 . 1 . . . . . . . . 4065 1 139 . 1 1 14 14 LEU HD22 H 1 1.01 0.02 . 1 . . . . . . . . 4065 1 140 . 1 1 14 14 LEU HD23 H 1 1.01 0.02 . 1 . . . . . . . . 4065 1 141 . 1 1 14 14 LEU C C 13 179.41 0.2 . 1 . . . . . . . . 4065 1 142 . 1 1 14 14 LEU CA C 13 57.83 0.2 . 1 . . . . . . . . 4065 1 143 . 1 1 14 14 LEU CB C 13 41.09 0.2 . 1 . . . . . . . . 4065 1 144 . 1 1 14 14 LEU CG C 13 27.00 0.2 . 1 . . . . . . . . 4065 1 145 . 1 1 14 14 LEU CD1 C 13 25.83 0.2 . 1 . . . . . . . . 4065 1 146 . 1 1 14 14 LEU CD2 C 13 22.16 0.2 . 1 . . . . . . . . 4065 1 147 . 1 1 14 14 LEU N N 15 119.86 0.2 . 1 . . . . . . . . 4065 1 148 . 1 1 15 15 LYS H H 1 8.50 0.02 . 1 . . . . . . . . 4065 1 149 . 1 1 15 15 LYS HA H 1 4.14 0.02 . 1 . . . . . . . . 4065 1 150 . 1 1 15 15 LYS HB2 H 1 2.02 0.02 . 1 . . . . . . . . 4065 1 151 . 1 1 15 15 LYS HB3 H 1 2.02 0.02 . 1 . . . . . . . . 4065 1 152 . 1 1 15 15 LYS HG2 H 1 1.51 0.02 . 4 . . . . . . . . 4065 1 153 . 1 1 15 15 LYS HG3 H 1 1.41 0.02 . 4 . . . . . . . . 4065 1 154 . 1 1 15 15 LYS C C 13 180.01 0.2 . 1 . . . . . . . . 4065 1 155 . 1 1 15 15 LYS CA C 13 59.35 0.2 . 1 . . . . . . . . 4065 1 156 . 1 1 15 15 LYS CB C 13 32.21 0.2 . 1 . . . . . . . . 4065 1 157 . 1 1 15 15 LYS CG C 13 24.89 0.2 . 1 . . . . . . . . 4065 1 158 . 1 1 15 15 LYS CD C 13 28.95 0.2 . 1 . . . . . . . . 4065 1 159 . 1 1 15 15 LYS N N 15 120.55 0.2 . 1 . . . . . . . . 4065 1 160 . 1 1 16 16 LYS H H 1 8.23 0.02 . 1 . . . . . . . . 4065 1 161 . 1 1 16 16 LYS HA H 1 4.20 0.02 . 1 . . . . . . . . 4065 1 162 . 1 1 16 16 LYS HB2 H 1 2.16 0.02 . 2 . . . . . . . . 4065 1 163 . 1 1 16 16 LYS HB3 H 1 1.99 0.02 . 2 . . . . . . . . 4065 1 164 . 1 1 16 16 LYS C C 13 179.34 0.2 . 1 . . . . . . . . 4065 1 165 . 1 1 16 16 LYS CA C 13 58.54 0.2 . 1 . . . . . . . . 4065 1 166 . 1 1 16 16 LYS CB C 13 32.07 0.2 . 1 . . . . . . . . 4065 1 167 . 1 1 16 16 LYS CG C 13 25.90 0.2 . 1 . . . . . . . . 4065 1 168 . 1 1 16 16 LYS CD C 13 28.56 0.2 . 1 . . . . . . . . 4065 1 169 . 1 1 16 16 LYS N N 15 120.26 0.2 . 1 . . . . . . . . 4065 1 170 . 1 1 17 17 PHE H H 1 8.46 0.02 . 1 . . . . . . . . 4065 1 171 . 1 1 17 17 PHE HA H 1 4.08 0.02 . 1 . . . . . . . . 4065 1 172 . 1 1 17 17 PHE HB2 H 1 3.06 0.02 . 2 . . . . . . . . 4065 1 173 . 1 1 17 17 PHE HB3 H 1 2.72 0.02 . 2 . . . . . . . . 4065 1 174 . 1 1 17 17 PHE C C 13 178.06 0.2 . 1 . . . . . . . . 4065 1 175 . 1 1 17 17 PHE CA C 13 59.38 0.2 . 1 . . . . . . . . 4065 1 176 . 1 1 17 17 PHE CB C 13 38.31 0.2 . 1 . . . . . . . . 4065 1 177 . 1 1 17 17 PHE N N 15 122.83 0.2 . 1 . . . . . . . . 4065 1 178 . 1 1 18 18 GLU H H 1 8.38 0.02 . 1 . . . . . . . . 4065 1 179 . 1 1 18 18 GLU HA H 1 3.86 0.02 . 1 . . . . . . . . 4065 1 180 . 1 1 18 18 GLU HB2 H 1 2.29 0.02 . 2 . . . . . . . . 4065 1 181 . 1 1 18 18 GLU HB3 H 1 2.22 0.02 . 2 . . . . . . . . 4065 1 182 . 1 1 18 18 GLU HG2 H 1 2.48 0.02 . 1 . . . . . . . . 4065 1 183 . 1 1 18 18 GLU HG3 H 1 2.48 0.02 . 1 . . . . . . . . 4065 1 184 . 1 1 18 18 GLU C C 13 178.97 0.2 . 1 . . . . . . . . 4065 1 185 . 1 1 18 18 GLU CA C 13 59.68 0.2 . 1 . . . . . . . . 4065 1 186 . 1 1 18 18 GLU CB C 13 35.85 0.2 . 1 . . . . . . . . 4065 1 187 . 1 1 18 18 GLU N N 15 119.02 0.2 . 1 . . . . . . . . 4065 1 188 . 1 1 19 19 GLU H H 1 7.92 0.02 . 1 . . . . . . . . 4065 1 189 . 1 1 19 19 GLU HA H 1 4.08 0.02 . 1 . . . . . . . . 4065 1 190 . 1 1 19 19 GLU HB2 H 1 2.24 0.02 . 2 . . . . . . . . 4065 1 191 . 1 1 19 19 GLU HB3 H 1 1.58 0.02 . 2 . . . . . . . . 4065 1 192 . 1 1 19 19 GLU HG2 H 1 2.53 0.02 . 2 . . . . . . . . 4065 1 193 . 1 1 19 19 GLU HG3 H 1 2.29 0.02 . 2 . . . . . . . . 4065 1 194 . 1 1 19 19 GLU C C 13 179.26 0.2 . 1 . . . . . . . . 4065 1 195 . 1 1 19 19 GLU CA C 13 59.45 0.2 . 1 . . . . . . . . 4065 1 196 . 1 1 19 19 GLU CB C 13 29.43 0.2 . 1 . . . . . . . . 4065 1 197 . 1 1 19 19 GLU CG C 13 36.33 0.2 . 1 . . . . . . . . 4065 1 198 . 1 1 19 19 GLU N N 15 119.31 0.2 . 1 . . . . . . . . 4065 1 199 . 1 1 20 20 LEU H H 1 7.94 0.02 . 1 . . . . . . . . 4065 1 200 . 1 1 20 20 LEU HA H 1 4.17 0.02 . 1 . . . . . . . . 4065 1 201 . 1 1 20 20 LEU HB2 H 1 2.19 0.02 . 2 . . . . . . . . 4065 1 202 . 1 1 20 20 LEU HB3 H 1 1.42 0.02 . 2 . . . . . . . . 4065 1 203 . 1 1 20 20 LEU HG H 1 1.98 0.02 . 1 . . . . . . . . 4065 1 204 . 1 1 20 20 LEU HD11 H 1 0.94 0.02 . 1 . . . . . . . . 4065 1 205 . 1 1 20 20 LEU HD12 H 1 0.94 0.02 . 1 . . . . . . . . 4065 1 206 . 1 1 20 20 LEU HD13 H 1 0.94 0.02 . 1 . . . . . . . . 4065 1 207 . 1 1 20 20 LEU HD21 H 1 0.94 0.02 . 1 . . . . . . . . 4065 1 208 . 1 1 20 20 LEU HD22 H 1 0.94 0.02 . 1 . . . . . . . . 4065 1 209 . 1 1 20 20 LEU HD23 H 1 0.94 0.02 . 1 . . . . . . . . 4065 1 210 . 1 1 20 20 LEU C C 13 189.78 0.2 . 1 . . . . . . . . 4065 1 211 . 1 1 20 20 LEU CA C 13 57.88 0.2 . 1 . . . . . . . . 4065 1 212 . 1 1 20 20 LEU CB C 13 41.64 0.2 . 1 . . . . . . . . 4065 1 213 . 1 1 20 20 LEU CG C 13 26.56 0.2 . 1 . . . . . . . . 4065 1 214 . 1 1 20 20 LEU CD1 C 13 26.04 0.2 . 1 . . . . . . . . 4065 1 215 . 1 1 20 20 LEU CD2 C 13 23.27 0.2 . 1 . . . . . . . . 4065 1 216 . 1 1 20 20 LEU N N 15 119.86 0.2 . 1 . . . . . . . . 4065 1 217 . 1 1 21 21 LEU H H 1 8.08 0.02 . 1 . . . . . . . . 4065 1 218 . 1 1 21 21 LEU HA H 1 3.93 0.02 . 1 . . . . . . . . 4065 1 219 . 1 1 21 21 LEU HB2 H 1 1.71 0.02 . 2 . . . . . . . . 4065 1 220 . 1 1 21 21 LEU HB3 H 1 1.50 0.02 . 2 . . . . . . . . 4065 1 221 . 1 1 21 21 LEU HG H 1 1.43 0.02 . 1 . . . . . . . . 4065 1 222 . 1 1 21 21 LEU HD11 H 1 0.37 0.02 . 1 . . . . . . . . 4065 1 223 . 1 1 21 21 LEU HD12 H 1 0.37 0.02 . 1 . . . . . . . . 4065 1 224 . 1 1 21 21 LEU HD13 H 1 0.37 0.02 . 1 . . . . . . . . 4065 1 225 . 1 1 21 21 LEU HD21 H 1 0.42 0.02 . 1 . . . . . . . . 4065 1 226 . 1 1 21 21 LEU HD22 H 1 0.42 0.02 . 1 . . . . . . . . 4065 1 227 . 1 1 21 21 LEU HD23 H 1 0.42 0.02 . 1 . . . . . . . . 4065 1 228 . 1 1 21 21 LEU C C 13 179.05 0.2 . 1 . . . . . . . . 4065 1 229 . 1 1 21 21 LEU CA C 13 58.11 0.2 . 1 . . . . . . . . 4065 1 230 . 1 1 21 21 LEU CB C 13 41.27 0.2 . 1 . . . . . . . . 4065 1 231 . 1 1 21 21 LEU CG C 13 27.07 0.2 . 1 . . . . . . . . 4065 1 232 . 1 1 21 21 LEU CD1 C 13 24.20 0.2 . 1 . . . . . . . . 4065 1 233 . 1 1 21 21 LEU CD2 C 13 23.66 0.2 . 1 . . . . . . . . 4065 1 234 . 1 1 21 21 LEU N N 15 120.96 0.2 . 1 . . . . . . . . 4065 1 235 . 1 1 22 22 LYS H H 1 8.21 0.02 . 1 . . . . . . . . 4065 1 236 . 1 1 22 22 LYS HA H 1 4.22 0.02 . 1 . . . . . . . . 4065 1 237 . 1 1 22 22 LYS HB2 H 1 2.04 0.02 . 1 . . . . . . . . 4065 1 238 . 1 1 22 22 LYS HB3 H 1 2.04 0.02 . 1 . . . . . . . . 4065 1 239 . 1 1 22 22 LYS HG2 H 1 1.77 0.02 . 4 . . . . . . . . 4065 1 240 . 1 1 22 22 LYS HG3 H 1 1.64 0.02 . 4 . . . . . . . . 4065 1 241 . 1 1 22 22 LYS C C 13 180.12 0.2 . 1 . . . . . . . . 4065 1 242 . 1 1 22 22 LYS CA C 13 59.28 0.2 . 1 . . . . . . . . 4065 1 243 . 1 1 22 22 LYS CB C 13 31.46 0.2 . 1 . . . . . . . . 4065 1 244 . 1 1 22 22 LYS CG C 13 24.64 0.2 . 1 . . . . . . . . 4065 1 245 . 1 1 22 22 LYS CD C 13 28.22 0.2 . 1 . . . . . . . . 4065 1 246 . 1 1 22 22 LYS N N 15 120.49 0.2 . 1 . . . . . . . . 4065 1 247 . 1 1 23 23 LEU H H 1 8.07 0.02 . 1 . . . . . . . . 4065 1 248 . 1 1 23 23 LEU HA H 1 4.25 0.02 . 1 . . . . . . . . 4065 1 249 . 1 1 23 23 LEU HB2 H 1 2.02 0.02 . 2 . . . . . . . . 4065 1 250 . 1 1 23 23 LEU HB3 H 1 1.73 0.02 . 2 . . . . . . . . 4065 1 251 . 1 1 23 23 LEU HG H 1 1.87 0.02 . 1 . . . . . . . . 4065 1 252 . 1 1 23 23 LEU HD11 H 1 1.02 0.02 . 1 . . . . . . . . 4065 1 253 . 1 1 23 23 LEU HD12 H 1 1.02 0.02 . 1 . . . . . . . . 4065 1 254 . 1 1 23 23 LEU HD13 H 1 1.02 0.02 . 1 . . . . . . . . 4065 1 255 . 1 1 23 23 LEU HD21 H 1 0.99 0.02 . 1 . . . . . . . . 4065 1 256 . 1 1 23 23 LEU HD22 H 1 0.99 0.02 . 1 . . . . . . . . 4065 1 257 . 1 1 23 23 LEU HD23 H 1 0.99 0.02 . 1 . . . . . . . . 4065 1 258 . 1 1 23 23 LEU C C 13 179.73 0.2 . 1 . . . . . . . . 4065 1 259 . 1 1 23 23 LEU CA C 13 57.68 0.2 . 1 . . . . . . . . 4065 1 260 . 1 1 23 23 LEU CB C 13 41.63 0.2 . 1 . . . . . . . . 4065 1 261 . 1 1 23 23 LEU CG C 13 26.93 0.2 . 1 . . . . . . . . 4065 1 262 . 1 1 23 23 LEU CD1 C 13 25.03 0.2 . 1 . . . . . . . . 4065 1 263 . 1 1 23 23 LEU CD2 C 13 23.46 0.2 . 1 . . . . . . . . 4065 1 264 . 1 1 23 23 LEU N N 15 120.96 0.2 . 1 . . . . . . . . 4065 1 265 . 1 1 24 24 HIS H H 1 8.38 0.02 . 1 . . . . . . . . 4065 1 266 . 1 1 24 24 HIS HA H 1 4.62 0.02 . 1 . . . . . . . . 4065 1 267 . 1 1 24 24 HIS HB2 H 1 3.33 0.02 . 2 . . . . . . . . 4065 1 268 . 1 1 24 24 HIS HB3 H 1 3.17 0.02 . 2 . . . . . . . . 4065 1 269 . 1 1 24 24 HIS C C 13 177.31 0.2 . 1 . . . . . . . . 4065 1 270 . 1 1 24 24 HIS CA C 13 59.62 0.2 . 1 . . . . . . . . 4065 1 271 . 1 1 24 24 HIS CB C 13 31.64 0.2 . 1 . . . . . . . . 4065 1 272 . 1 1 24 24 HIS N N 15 121.53 0.2 . 1 . . . . . . . . 4065 1 273 . 1 1 25 25 GLU H H 1 8.68 0.02 . 1 . . . . . . . . 4065 1 274 . 1 1 25 25 GLU HA H 1 3.88 0.02 . 1 . . . . . . . . 4065 1 275 . 1 1 25 25 GLU C C 13 177.58 0.2 . 1 . . . . . . . . 4065 1 276 . 1 1 25 25 GLU CA C 13 60.20 0.2 . 1 . . . . . . . . 4065 1 277 . 1 1 25 25 GLU CB C 13 29.56 0.2 . 1 . . . . . . . . 4065 1 278 . 1 1 25 25 GLU CG C 13 35.96 0.2 . 1 . . . . . . . . 4065 1 279 . 1 1 25 25 GLU N N 15 119.51 0.2 . 1 . . . . . . . . 4065 1 280 . 1 1 26 26 GLU H H 1 7.48 0.02 . 1 . . . . . . . . 4065 1 281 . 1 1 26 26 GLU HA H 1 3.97 0.02 . 1 . . . . . . . . 4065 1 282 . 1 1 26 26 GLU HB2 H 1 2.20 0.02 . 1 . . . . . . . . 4065 1 283 . 1 1 26 26 GLU HB3 H 1 2.20 0.02 . 1 . . . . . . . . 4065 1 284 . 1 1 26 26 GLU CA C 13 58.95 0.2 . 1 . . . . . . . . 4065 1 285 . 1 1 26 26 GLU CB C 13 29.04 0.2 . 1 . . . . . . . . 4065 1 286 . 1 1 26 26 GLU CG C 13 35.96 0.2 . 1 . . . . . . . . 4065 1 287 . 1 1 26 26 GLU N N 15 116.09 0.2 . 1 . . . . . . . . 4065 1 288 . 1 1 27 27 ARG H H 1 7.79 0.02 . 1 . . . . . . . . 4065 1 289 . 1 1 27 27 ARG HA H 1 4.00 0.02 . 1 . . . . . . . . 4065 1 290 . 1 1 27 27 ARG HB2 H 1 1.99 0.02 . 1 . . . . . . . . 4065 1 291 . 1 1 27 27 ARG HB3 H 1 1.99 0.02 . 1 . . . . . . . . 4065 1 292 . 1 1 27 27 ARG HG2 H 1 1.69 0.02 . 1 . . . . . . . . 4065 1 293 . 1 1 27 27 ARG HG3 H 1 1.69 0.02 . 1 . . . . . . . . 4065 1 294 . 1 1 27 27 ARG HD2 H 1 3.32 0.02 . 1 . . . . . . . . 4065 1 295 . 1 1 27 27 ARG HD3 H 1 3.32 0.02 . 1 . . . . . . . . 4065 1 296 . 1 1 27 27 ARG C C 13 180.14 0.2 . 1 . . . . . . . . 4065 1 297 . 1 1 27 27 ARG CA C 13 59.29 0.2 . 1 . . . . . . . . 4065 1 298 . 1 1 27 27 ARG CB C 13 29.43 0.2 . 1 . . . . . . . . 4065 1 299 . 1 1 27 27 ARG CG C 13 27.86 0.2 . 1 . . . . . . . . 4065 1 300 . 1 1 27 27 ARG CD C 13 43.19 0.2 . 1 . . . . . . . . 4065 1 301 . 1 1 27 27 ARG N N 15 118.42 0.2 . 1 . . . . . . . . 4065 1 302 . 1 1 28 28 LEU H H 1 8.48 0.02 . 1 . . . . . . . . 4065 1 303 . 1 1 28 28 LEU HA H 1 3.87 0.02 . 1 . . . . . . . . 4065 1 304 . 1 1 28 28 LEU HB2 H 1 2.02 0.02 . 2 . . . . . . . . 4065 1 305 . 1 1 28 28 LEU HB3 H 1 1.17 0.02 . 2 . . . . . . . . 4065 1 306 . 1 1 28 28 LEU HG H 1 1.37 0.02 . 1 . . . . . . . . 4065 1 307 . 1 1 28 28 LEU HD11 H 1 0.59 0.02 . 1 . . . . . . . . 4065 1 308 . 1 1 28 28 LEU HD12 H 1 0.59 0.02 . 1 . . . . . . . . 4065 1 309 . 1 1 28 28 LEU HD13 H 1 0.59 0.02 . 1 . . . . . . . . 4065 1 310 . 1 1 28 28 LEU HD21 H 1 0.25 0.02 . 1 . . . . . . . . 4065 1 311 . 1 1 28 28 LEU HD22 H 1 0.25 0.02 . 1 . . . . . . . . 4065 1 312 . 1 1 28 28 LEU HD23 H 1 0.25 0.02 . 1 . . . . . . . . 4065 1 313 . 1 1 28 28 LEU C C 13 179.03 0.2 . 1 . . . . . . . . 4065 1 314 . 1 1 28 28 LEU CA C 13 57.27 0.2 . 1 . . . . . . . . 4065 1 315 . 1 1 28 28 LEU CB C 13 40.66 0.2 . 1 . . . . . . . . 4065 1 316 . 1 1 28 28 LEU CG C 13 26.090 0.2 . 1 . . . . . . . . 4065 1 317 . 1 1 28 28 LEU CD1 C 13 24.92 0.2 . 1 . . . . . . . . 4065 1 318 . 1 1 28 28 LEU CD2 C 13 22.14 0.2 . 1 . . . . . . . . 4065 1 319 . 1 1 28 28 LEU N N 15 119.47 0.2 . 1 . . . . . . . . 4065 1 320 . 1 1 29 29 LYS H H 1 7.84 0.02 . 1 . . . . . . . . 4065 1 321 . 1 1 29 29 LYS HA H 1 4.00 0.02 . 1 . . . . . . . . 4065 1 322 . 1 1 29 29 LYS HB2 H 1 1.75 0.02 . 1 . . . . . . . . 4065 1 323 . 1 1 29 29 LYS HB3 H 1 1.75 0.02 . 1 . . . . . . . . 4065 1 324 . 1 1 29 29 LYS HG2 H 1 1.39 0.02 . 4 . . . . . . . . 4065 1 325 . 1 1 29 29 LYS HG3 H 1 1.39 0.02 . 4 . . . . . . . . 4065 1 326 . 1 1 29 29 LYS C C 13 177.43 0.2 . 1 . . . . . . . . 4065 1 327 . 1 1 29 29 LYS CA C 13 58.50 0.2 . 1 . . . . . . . . 4065 1 328 . 1 1 29 29 LYS CB C 13 32.81 0.2 . 1 . . . . . . . . 4065 1 329 . 1 1 29 29 LYS CG C 13 26.15 0.2 . 1 . . . . . . . . 4065 1 330 . 1 1 29 29 LYS CD C 13 29.36 0.2 . 1 . . . . . . . . 4065 1 331 . 1 1 29 29 LYS N N 15 117.64 0.2 . 1 . . . . . . . . 4065 1 332 . 1 1 30 30 LYS H H 1 7.26 0.02 . 1 . . . . . . . . 4065 1 333 . 1 1 30 30 LYS HA H 1 4.43 0.02 . 1 . . . . . . . . 4065 1 334 . 1 1 30 30 LYS HB2 H 1 2.12 0.02 . 2 . . . . . . . . 4065 1 335 . 1 1 30 30 LYS HB3 H 1 1.82 0.02 . 2 . . . . . . . . 4065 1 336 . 1 1 30 30 LYS HG2 H 1 1.65 0.02 . 2 . . . . . . . . 4065 1 337 . 1 1 30 30 LYS HG3 H 1 1.55 0.02 . 2 . . . . . . . . 4065 1 338 . 1 1 30 30 LYS C C 13 175.99 0.2 . 1 . . . . . . . . 4065 1 339 . 1 1 30 30 LYS CA C 13 55.79 0.2 . 1 . . . . . . . . 4065 1 340 . 1 1 30 30 LYS CB C 13 33.07 0.2 . 1 . . . . . . . . 4065 1 341 . 1 1 30 30 LYS CG C 13 25.05 0.2 . 1 . . . . . . . . 4065 1 342 . 1 1 30 30 LYS CD C 13 28.94 0.2 . 1 . . . . . . . . 4065 1 343 . 1 1 30 30 LYS N N 15 116.78 0.2 . 1 . . . . . . . . 4065 1 344 . 1 1 31 31 LEU H H 1 7.15 0.02 . 1 . . . . . . . . 4065 1 345 . 1 1 31 31 LEU HA H 1 4.14 0.02 . 1 . . . . . . . . 4065 1 346 . 1 1 31 31 LEU HB2 H 1 1.83 0.02 . 2 . . . . . . . . 4065 1 347 . 1 1 31 31 LEU HB3 H 1 1.61 0.02 . 2 . . . . . . . . 4065 1 348 . 1 1 31 31 LEU HG H 1 1.92 0.02 . 1 . . . . . . . . 4065 1 349 . 1 1 31 31 LEU HD11 H 1 0.93 0.02 . 1 . . . . . . . . 4065 1 350 . 1 1 31 31 LEU HD12 H 1 0.93 0.02 . 1 . . . . . . . . 4065 1 351 . 1 1 31 31 LEU HD13 H 1 0.93 0.02 . 1 . . . . . . . . 4065 1 352 . 1 1 31 31 LEU HD21 H 1 0.92 0.02 . 1 . . . . . . . . 4065 1 353 . 1 1 31 31 LEU HD22 H 1 0.92 0.02 . 1 . . . . . . . . 4065 1 354 . 1 1 31 31 LEU HD23 H 1 0.92 0.02 . 1 . . . . . . . . 4065 1 355 . 1 1 31 31 LEU C C 13 182.46 0.2 . 1 . . . . . . . . 4065 1 356 . 1 1 31 31 LEU CA C 13 57.24 0.2 . 1 . . . . . . . . 4065 1 357 . 1 1 31 31 LEU CB C 13 43.00 0.2 . 1 . . . . . . . . 4065 1 358 . 1 1 31 31 LEU CG C 13 26.77 0.2 . 1 . . . . . . . . 4065 1 359 . 1 1 31 31 LEU CD1 C 13 26.59 0.2 . 1 . . . . . . . . 4065 1 360 . 1 1 31 31 LEU CD2 C 13 23.61 0.2 . 1 . . . . . . . . 4065 1 361 . 1 1 31 31 LEU N N 15 125.84 0.2 . 1 . . . . . . . . 4065 1 stop_ save_ save_chemical_shift_assignment_H10H24-L6I_L13F-chain_B _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_H10H24-L6I_L13F-chain_B _Assigned_chem_shift_list.Entry_ID 4065 _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 _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_one . 4065 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 . 2 1 1 1 CYS HA H 1 4.76 0.02 . 1 . . . . . . . . 4065 2 2 . 2 1 1 1 CYS C C 13 174.72 0.2 . 1 . . . . . . . . 4065 2 3 . 2 1 1 1 CYS CA C 13 55.54 0.2 . 1 . . . . . . . . 4065 2 4 . 2 1 1 1 CYS CB C 13 41.36 0.2 . 1 . . . . . . . . 4065 2 5 . 2 1 2 2 GLY H H 1 8.65 0.02 . 1 . . . . . . . . 4065 2 6 . 2 1 2 2 GLY HA2 H 1 4.20 0.02 . 1 . . . . . . . . 4065 2 7 . 2 1 2 2 GLY HA3 H 1 4.20 0.02 . 1 . . . . . . . . 4065 2 8 . 2 1 2 2 GLY CA C 13 45.76 0.2 . 1 . . . . . . . . 4065 2 9 . 2 1 2 2 GLY N N 15 111.48 0.2 . 1 . . . . . . . . 4065 2 10 . 2 1 3 3 GLY H H 1 8.63 0.02 . 1 . . . . . . . . 4065 2 11 . 2 1 3 3 GLY HA2 H 1 4.05 0.02 . 1 . . . . . . . . 4065 2 12 . 2 1 3 3 GLY HA3 H 1 4.05 0.02 . 1 . . . . . . . . 4065 2 13 . 2 1 3 3 GLY CA C 13 46.83 0.2 . 1 . . . . . . . . 4065 2 14 . 2 1 3 3 GLY N N 15 110.43 0.2 . 1 . . . . . . . . 4065 2 15 . 2 1 4 4 GLY H H 1 8.64 0.02 . 1 . . . . . . . . 4065 2 16 . 2 1 4 4 GLY HA2 H 1 4.04 0.02 . 1 . . . . . . . . 4065 2 17 . 2 1 4 4 GLY HA3 H 1 4.04 0.02 . 1 . . . . . . . . 4065 2 18 . 2 1 4 4 GLY CA C 13 46.83 0.2 . 1 . . . . . . . . 4065 2 19 . 2 1 4 4 GLY N N 15 109.04 0.2 . 1 . . . . . . . . 4065 2 20 . 2 1 5 5 GLU H H 1 8.37 0.02 . 1 . . . . . . . . 4065 2 21 . 2 1 5 5 GLU HA H 1 4.17 0.02 . 1 . . . . . . . . 4065 2 22 . 2 1 5 5 GLU HB2 H 1 2.19 0.02 . 1 . . . . . . . . 4065 2 23 . 2 1 5 5 GLU HB3 H 1 2.19 0.02 . 1 . . . . . . . . 4065 2 24 . 2 1 5 5 GLU HG2 H 1 2.46 0.02 . 1 . . . . . . . . 4065 2 25 . 2 1 5 5 GLU HG3 H 1 2.46 0.02 . 1 . . . . . . . . 4065 2 26 . 2 1 5 5 GLU C C 13 179.00 0.2 . 1 . . . . . . . . 4065 2 27 . 2 1 5 5 GLU CA C 13 59.12 0.2 . 1 . . . . . . . . 4065 2 28 . 2 1 5 5 GLU CB C 13 29.37 0.2 . 1 . . . . . . . . 4065 2 29 . 2 1 5 5 GLU CG C 13 36.52 0.2 . 1 . . . . . . . . 4065 2 30 . 2 1 5 5 GLU N N 15 121.13 0.2 . 1 . . . . . . . . 4065 2 31 . 2 1 6 6 ILE H H 1 7.87 0.02 . 1 . . . . . . . . 4065 2 32 . 2 1 6 6 ILE HA H 1 3.45 0.02 . 1 . . . . . . . . 4065 2 33 . 2 1 6 6 ILE HB H 1 1.95 0.02 . 1 . . . . . . . . 4065 2 34 . 2 1 6 6 ILE HG12 H 1 1.73 0.02 . 2 . . . . . . . . 4065 2 35 . 2 1 6 6 ILE HG13 H 1 1.04 0.02 . 2 . . . . . . . . 4065 2 36 . 2 1 6 6 ILE HG21 H 1 0.58 0.02 . 1 . . . . . . . . 4065 2 37 . 2 1 6 6 ILE HG22 H 1 0.58 0.02 . 1 . . . . . . . . 4065 2 38 . 2 1 6 6 ILE HG23 H 1 0.58 0.02 . 1 . . . . . . . . 4065 2 39 . 2 1 6 6 ILE HD11 H 1 0.91 0.02 . 1 . . . . . . . . 4065 2 40 . 2 1 6 6 ILE HD12 H 1 0.91 0.02 . 1 . . . . . . . . 4065 2 41 . 2 1 6 6 ILE HD13 H 1 0.91 0.02 . 1 . . . . . . . . 4065 2 42 . 2 1 6 6 ILE C C 13 176.70 0.2 . 1 . . . . . . . . 4065 2 43 . 2 1 6 6 ILE CA C 13 64.66 0.2 . 1 . . . . . . . . 4065 2 44 . 2 1 6 6 ILE CB C 13 36.81 0.2 . 1 . . . . . . . . 4065 2 45 . 2 1 6 6 ILE CG1 C 13 29.50 0.2 . 1 . . . . . . . . 4065 2 46 . 2 1 6 6 ILE CG2 C 13 17.28 0.2 . 1 . . . . . . . . 4065 2 47 . 2 1 6 6 ILE CD1 C 13 13.55 0.2 . 1 . . . . . . . . 4065 2 48 . 2 1 6 6 ILE N N 15 120.58 0.2 . 1 . . . . . . . . 4065 2 49 . 2 1 7 7 TRP H H 1 8.55 0.02 . 1 . . . . . . . . 4065 2 50 . 2 1 7 7 TRP HA H 1 4.51 0.02 . 1 . . . . . . . . 4065 2 51 . 2 1 7 7 TRP HB2 H 1 3.48 0.02 . 2 . . . . . . . . 4065 2 52 . 2 1 7 7 TRP HB3 H 1 3.37 0.02 . 2 . . . . . . . . 4065 2 53 . 2 1 7 7 TRP C C 13 176.80 0.2 . 1 . . . . . . . . 4065 2 54 . 2 1 7 7 TRP CA C 13 59.97 0.2 . 1 . . . . . . . . 4065 2 55 . 2 1 7 7 TRP CB C 13 29.12 0.2 . 1 . . . . . . . . 4065 2 56 . 2 1 7 7 TRP N N 15 118.39 0.2 . 1 . . . . . . . . 4065 2 57 . 2 1 8 8 LYS H H 1 7.81 0.02 . 1 . . . . . . . . 4065 2 58 . 2 1 8 8 LYS HA H 1 4.02 0.02 . 1 . . . . . . . . 4065 2 59 . 2 1 8 8 LYS HB2 H 1 1.97 0.02 . 2 . . . . . . . . 4065 2 60 . 2 1 8 8 LYS HB3 H 1 1.73 0.02 . 2 . . . . . . . . 4065 2 61 . 2 1 8 8 LYS HG2 H 1 1.59 0.02 . 4 . . . . . . . . 4065 2 62 . 2 1 8 8 LYS HG3 H 1 1.59 0.02 . 4 . . . . . . . . 4065 2 63 . 2 1 8 8 LYS C C 13 179.53 0.2 . 1 . . . . . . . . 4065 2 64 . 2 1 8 8 LYS CA C 13 59.73 0.2 . 1 . . . . . . . . 4065 2 65 . 2 1 8 8 LYS CB C 13 32.33 0.2 . 1 . . . . . . . . 4065 2 66 . 2 1 8 8 LYS CG C 13 25.40 0.2 . 1 . . . . . . . . 4065 2 67 . 2 1 8 8 LYS CD C 13 29.43 0.2 . 1 . . . . . . . . 4065 2 68 . 2 1 8 8 LYS N N 15 116.51 0.2 . 1 . . . . . . . . 4065 2 69 . 2 1 9 9 LEU H H 1 7.40 0.02 . 1 . . . . . . . . 4065 2 70 . 2 1 9 9 LEU HA H 1 4.38 0.02 . 1 . . . . . . . . 4065 2 71 . 2 1 9 9 LEU HB2 H 1 1.92 0.02 . 1 . . . . . . . . 4065 2 72 . 2 1 9 9 LEU HB3 H 1 1.92 0.02 . 1 . . . . . . . . 4065 2 73 . 2 1 9 9 LEU HG H 1 1.78 0.02 . 1 . . . . . . . . 4065 2 74 . 2 1 9 9 LEU HD11 H 1 1.06 0.02 . 1 . . . . . . . . 4065 2 75 . 2 1 9 9 LEU HD12 H 1 1.06 0.02 . 1 . . . . . . . . 4065 2 76 . 2 1 9 9 LEU HD13 H 1 1.06 0.02 . 1 . . . . . . . . 4065 2 77 . 2 1 9 9 LEU HD21 H 1 0.86 0.02 . 1 . . . . . . . . 4065 2 78 . 2 1 9 9 LEU HD22 H 1 0.86 0.02 . 1 . . . . . . . . 4065 2 79 . 2 1 9 9 LEU HD23 H 1 0.86 0.02 . 1 . . . . . . . . 4065 2 80 . 2 1 9 9 LEU C C 13 178.89 0.2 . 1 . . . . . . . . 4065 2 81 . 2 1 9 9 LEU CA C 13 57.91 0.2 . 1 . . . . . . . . 4065 2 82 . 2 1 9 9 LEU CB C 13 41.66 0.2 . 1 . . . . . . . . 4065 2 83 . 2 1 9 9 LEU CG C 13 27.48 0.2 . 1 . . . . . . . . 4065 2 84 . 2 1 9 9 LEU CD1 C 13 25.69 0.2 . 1 . . . . . . . . 4065 2 85 . 2 1 9 9 LEU CD2 C 13 25.66 0.2 . 1 . . . . . . . . 4065 2 86 . 2 1 9 9 LEU N N 15 121.60 0.2 . 1 . . . . . . . . 4065 2 87 . 2 1 10 10 HIS H H 1 8.38 0.02 . 1 . . . . . . . . 4065 2 88 . 2 1 10 10 HIS HA H 1 4.58 0.02 . 1 . . . . . . . . 4065 2 89 . 2 1 10 10 HIS HB2 H 1 2.90 0.02 . 2 . . . . . . . . 4065 2 90 . 2 1 10 10 HIS HB3 H 1 2.57 0.02 . 2 . . . . . . . . 4065 2 91 . 2 1 10 10 HIS C C 13 178.69 0.2 . 1 . . . . . . . . 4065 2 92 . 2 1 10 10 HIS CA C 13 58.14 0.2 . 1 . . . . . . . . 4065 2 93 . 2 1 10 10 HIS CB C 13 30.26 0.2 . 1 . . . . . . . . 4065 2 94 . 2 1 10 10 HIS N N 15 121.53 0.2 . 1 . . . . . . . . 4065 2 95 . 2 1 11 11 GLU H H 1 8.71 0.02 . 1 . . . . . . . . 4065 2 96 . 2 1 11 11 GLU HA H 1 3.84 0.02 . 1 . . . . . . . . 4065 2 97 . 2 1 11 11 GLU HB2 H 1 1.92 0.02 . 1 . . . . . . . . 4065 2 98 . 2 1 11 11 GLU HB3 H 1 1.92 0.02 . 1 . . . . . . . . 4065 2 99 . 2 1 11 11 GLU C C 13 179.13 0.2 . 1 . . . . . . . . 4065 2 100 . 2 1 11 11 GLU CA C 13 60.12 0.2 . 1 . . . . . . . . 4065 2 101 . 2 1 11 11 GLU CB C 13 29.49 0.2 . 1 . . . . . . . . 4065 2 102 . 2 1 11 11 GLU CG C 13 36.77 0.2 . 1 . . . . . . . . 4065 2 103 . 2 1 11 11 GLU N N 15 118.86 0.2 . 1 . . . . . . . . 4065 2 104 . 2 1 12 12 GLU H H 1 8.03 0.02 . 1 . . . . . . . . 4065 2 105 . 2 1 12 12 GLU HA H 1 4.05 0.02 . 1 . . . . . . . . 4065 2 106 . 2 1 12 12 GLU HB2 H 1 1.95 0.02 . 2 . . . . . . . . 4065 2 107 . 2 1 12 12 GLU HB3 H 1 1.87 0.02 . 2 . . . . . . . . 4065 2 108 . 2 1 12 12 GLU HG2 H 1 2.48 0.02 . 2 . . . . . . . . 4065 2 109 . 2 1 12 12 GLU HG3 H 1 2.36 0.02 . 2 . . . . . . . . 4065 2 110 . 2 1 12 12 GLU C C 13 179.71 0.2 . 1 . . . . . . . . 4065 2 111 . 2 1 12 12 GLU CA C 13 59.30 0.2 . 1 . . . . . . . . 4065 2 112 . 2 1 12 12 GLU CB C 13 29.00 0.2 . 1 . . . . . . . . 4065 2 113 . 2 1 12 12 GLU CG C 13 35.78 0.2 . 1 . . . . . . . . 4065 2 114 . 2 1 12 12 GLU N N 15 120.79 0.2 . 1 . . . . . . . . 4065 2 115 . 2 1 13 13 PHE H H 1 8.52 0.02 . 1 . . . . . . . . 4065 2 116 . 2 1 13 13 PHE HA H 1 3.89 0.02 . 1 . . . . . . . . 4065 2 117 . 2 1 13 13 PHE HB2 H 1 3.12 0.02 . 2 . . . . . . . . 4065 2 118 . 2 1 13 13 PHE HB3 H 1 2.70 0.02 . 2 . . . . . . . . 4065 2 119 . 2 1 13 13 PHE C C 13 177.40 0.2 . 1 . . . . . . . . 4065 2 120 . 2 1 13 13 PHE CA C 13 62.88 0.2 . 1 . . . . . . . . 4065 2 121 . 2 1 13 13 PHE CB C 13 38.38 0.2 . 1 . . . . . . . . 4065 2 122 . 2 1 13 13 PHE N N 15 118.99 0.2 . 1 . . . . . . . . 4065 2 123 . 2 1 14 14 LEU H H 1 9.07 0.02 . 1 . . . . . . . . 4065 2 124 . 2 1 14 14 LEU HA H 1 4.01 0.02 . 1 . . . . . . . . 4065 2 125 . 2 1 14 14 LEU HB2 H 1 2.02 0.02 . 2 . . . . . . . . 4065 2 126 . 2 1 14 14 LEU HB3 H 1 1.58 0.02 . 2 . . . . . . . . 4065 2 127 . 2 1 14 14 LEU HG H 1 2.01 0.02 . 1 . . . . . . . . 4065 2 128 . 2 1 14 14 LEU HD11 H 1 1.01 0.02 . 1 . . . . . . . . 4065 2 129 . 2 1 14 14 LEU HD12 H 1 1.01 0.02 . 1 . . . . . . . . 4065 2 130 . 2 1 14 14 LEU HD13 H 1 1.01 0.02 . 1 . . . . . . . . 4065 2 131 . 2 1 14 14 LEU HD21 H 1 0.63 0.02 . 1 . . . . . . . . 4065 2 132 . 2 1 14 14 LEU HD22 H 1 0.63 0.02 . 1 . . . . . . . . 4065 2 133 . 2 1 14 14 LEU HD23 H 1 0.63 0.02 . 1 . . . . . . . . 4065 2 134 . 2 1 14 14 LEU C C 13 179.51 0.2 . 1 . . . . . . . . 4065 2 135 . 2 1 14 14 LEU CA C 13 59.10 0.2 . 1 . . . . . . . . 4065 2 136 . 2 1 14 14 LEU CB C 13 41.16 0.2 . 1 . . . . . . . . 4065 2 137 . 2 1 14 14 LEU CG C 13 27.33 0.2 . 1 . . . . . . . . 4065 2 138 . 2 1 14 14 LEU CD1 C 13 25.80 0.2 . 1 . . . . . . . . 4065 2 139 . 2 1 14 14 LEU CD2 C 13 22.26 0.2 . 1 . . . . . . . . 4065 2 140 . 2 1 14 14 LEU N N 15 122.06 0.2 . 1 . . . . . . . . 4065 2 141 . 2 1 15 15 LYS H H 1 7.83 0.02 . 1 . . . . . . . . 4065 2 142 . 2 1 15 15 LYS HA H 1 4.21 0.02 . 1 . . . . . . . . 4065 2 143 . 2 1 15 15 LYS HB2 H 1 1.99 0.02 . 1 . . . . . . . . 4065 2 144 . 2 1 15 15 LYS HB3 H 1 1.99 0.02 . 1 . . . . . . . . 4065 2 145 . 2 1 15 15 LYS HG2 H 1 1.75 0.02 . 1 . . . . . . . . 4065 2 146 . 2 1 15 15 LYS HG3 H 1 1.75 0.02 . 1 . . . . . . . . 4065 2 147 . 2 1 15 15 LYS C C 13 179.28 0.2 . 1 . . . . . . . . 4065 2 148 . 2 1 15 15 LYS CA C 13 59.26 0.2 . 1 . . . . . . . . 4065 2 149 . 2 1 15 15 LYS CB C 13 31.73 0.2 . 1 . . . . . . . . 4065 2 150 . 2 1 15 15 LYS CG C 13 24.84 0.2 . 1 . . . . . . . . 4065 2 151 . 2 1 15 15 LYS CD C 13 28.64 0.2 . 1 . . . . . . . . 4065 2 152 . 2 1 15 15 LYS N N 15 119.13 0.2 . 1 . . . . . . . . 4065 2 153 . 2 1 16 16 LYS H H 1 7.65 0.02 . 1 . . . . . . . . 4065 2 154 . 2 1 16 16 LYS HA H 1 4.10 0.02 . 1 . . . . . . . . 4065 2 155 . 2 1 16 16 LYS HB2 H 1 1.77 0.02 . 2 . . . . . . . . 4065 2 156 . 2 1 16 16 LYS HB3 H 1 1.72 0.02 . 2 . . . . . . . . 4065 2 157 . 2 1 16 16 LYS HG2 H 1 1.40 0.02 . 1 . . . . . . . . 4065 2 158 . 2 1 16 16 LYS HG3 H 1 1.40 0.02 . 1 . . . . . . . . 4065 2 159 . 2 1 16 16 LYS C C 13 179.98 0.2 . 1 . . . . . . . . 4065 2 160 . 2 1 16 16 LYS CA C 13 59.11 0.2 . 1 . . . . . . . . 4065 2 161 . 2 1 16 16 LYS CB C 13 32.27 0.2 . 1 . . . . . . . . 4065 2 162 . 2 1 16 16 LYS CG C 13 25.10 0.2 . 1 . . . . . . . . 4065 2 163 . 2 1 16 16 LYS CD C 13 28.55 0.2 . 1 . . . . . . . . 4065 2 164 . 2 1 16 16 LYS N N 15 119.67 0.2 . 1 . . . . . . . . 4065 2 165 . 2 1 17 17 PHE H H 1 8.83 0.02 . 1 . . . . . . . . 4065 2 166 . 2 1 17 17 PHE HA H 1 4.43 0.02 . 1 . . . . . . . . 4065 2 167 . 2 1 17 17 PHE HB2 H 1 3.12 0.02 . 2 . . . . . . . . 4065 2 168 . 2 1 17 17 PHE HB3 H 1 3.00 0.02 . 2 . . . . . . . . 4065 2 169 . 2 1 17 17 PHE C C 13 177.29 0.2 . 1 . . . . . . . . 4065 2 170 . 2 1 17 17 PHE CA C 13 60.84 0.2 . 1 . . . . . . . . 4065 2 171 . 2 1 17 17 PHE CB C 13 38.41 0.2 . 1 . . . . . . . . 4065 2 172 . 2 1 17 17 PHE N N 15 119.91 0.2 . 1 . . . . . . . . 4065 2 173 . 2 1 18 18 GLU H H 1 8.49 0.02 . 1 . . . . . . . . 4065 2 174 . 2 1 18 18 GLU HA H 1 3.94 0.02 . 1 . . . . . . . . 4065 2 175 . 2 1 18 18 GLU HB2 H 1 2.29 0.02 . 1 . . . . . . . . 4065 2 176 . 2 1 18 18 GLU HB3 H 1 2.29 0.02 . 1 . . . . . . . . 4065 2 177 . 2 1 18 18 GLU HG2 H 1 2.47 0.02 . 1 . . . . . . . . 4065 2 178 . 2 1 18 18 GLU HG3 H 1 2.47 0.02 . 1 . . . . . . . . 4065 2 179 . 2 1 18 18 GLU C C 13 179.08 0.2 . 1 . . . . . . . . 4065 2 180 . 2 1 18 18 GLU CA C 13 60.20 0.2 . 1 . . . . . . . . 4065 2 181 . 2 1 18 18 GLU CB C 13 29.49 0.2 . 1 . . . . . . . . 4065 2 182 . 2 1 18 18 GLU CG C 13 36.45 0.2 . 1 . . . . . . . . 4065 2 183 . 2 1 18 18 GLU N N 15 120.24 0.2 . 1 . . . . . . . . 4065 2 184 . 2 1 19 19 GLU H H 1 8.06 0.02 . 1 . . . . . . . . 4065 2 185 . 2 1 19 19 GLU HA H 1 4.11 0.02 . 1 . . . . . . . . 4065 2 186 . 2 1 19 19 GLU HB2 H 1 2.28 0.02 . 2 . . . . . . . . 4065 2 187 . 2 1 19 19 GLU HB3 H 1 2.23 0.02 . 2 . . . . . . . . 4065 2 188 . 2 1 19 19 GLU HG2 H 1 2.52 0.02 . 1 . . . . . . . . 4065 2 189 . 2 1 19 19 GLU HG3 H 1 2.52 0.02 . 1 . . . . . . . . 4065 2 190 . 2 1 19 19 GLU C C 13 179.74 0.2 . 1 . . . . . . . . 4065 2 191 . 2 1 19 19 GLU CA C 13 59.35 0.2 . 1 . . . . . . . . 4065 2 192 . 2 1 19 19 GLU CB C 13 29.32 0.2 . 1 . . . . . . . . 4065 2 193 . 2 1 19 19 GLU CG C 13 36.27 0.2 . 1 . . . . . . . . 4065 2 194 . 2 1 19 19 GLU N N 15 118.59 0.2 . 1 . . . . . . . . 4065 2 195 . 2 1 20 20 LEU H H 1 8.13 0.02 . 1 . . . . . . . . 4065 2 196 . 2 1 20 20 LEU HA H 1 4.41 0.02 . 1 . . . . . . . . 4065 2 197 . 2 1 20 20 LEU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 4065 2 198 . 2 1 20 20 LEU HB3 H 1 1.89 0.02 . 2 . . . . . . . . 4065 2 199 . 2 1 20 20 LEU HG H 1 1.91 0.02 . 1 . . . . . . . . 4065 2 200 . 2 1 20 20 LEU HD11 H 1 0.92 0.02 . 1 . . . . . . . . 4065 2 201 . 2 1 20 20 LEU HD12 H 1 0.92 0.02 . 1 . . . . . . . . 4065 2 202 . 2 1 20 20 LEU HD13 H 1 0.92 0.02 . 1 . . . . . . . . 4065 2 203 . 2 1 20 20 LEU HD21 H 1 0.83 0.02 . 1 . . . . . . . . 4065 2 204 . 2 1 20 20 LEU HD22 H 1 0.83 0.02 . 1 . . . . . . . . 4065 2 205 . 2 1 20 20 LEU HD23 H 1 0.83 0.02 . 1 . . . . . . . . 4065 2 206 . 2 1 20 20 LEU C C 13 179.21 0.2 . 1 . . . . . . . . 4065 2 207 . 2 1 20 20 LEU CA C 13 57.95 0.2 . 1 . . . . . . . . 4065 2 208 . 2 1 20 20 LEU CB C 13 42.81 0.2 . 1 . . . . . . . . 4065 2 209 . 2 1 20 20 LEU CG C 13 27.27 0.2 . 1 . . . . . . . . 4065 2 210 . 2 1 20 20 LEU CD1 C 13 25.65 0.2 . 1 . . . . . . . . 4065 2 211 . 2 1 20 20 LEU CD2 C 13 24.37 0.2 . 1 . . . . . . . . 4065 2 212 . 2 1 20 20 LEU N N 15 121.52 0.2 . 1 . . . . . . . . 4065 2 213 . 2 1 21 21 LEU H H 1 8.48 0.02 . 1 . . . . . . . . 4065 2 214 . 2 1 21 21 LEU HA H 1 4.02 0.02 . 1 . . . . . . . . 4065 2 215 . 2 1 21 21 LEU HB2 H 1 1.90 0.02 . 2 . . . . . . . . 4065 2 216 . 2 1 21 21 LEU HB3 H 1 1.08 0.02 . 2 . . . . . . . . 4065 2 217 . 2 1 21 21 LEU HG H 1 1.76 0.02 . 1 . . . . . . . . 4065 2 218 . 2 1 21 21 LEU HD11 H 1 0.57 0.02 . 1 . . . . . . . . 4065 2 219 . 2 1 21 21 LEU HD12 H 1 0.57 0.02 . 1 . . . . . . . . 4065 2 220 . 2 1 21 21 LEU HD13 H 1 0.57 0.02 . 1 . . . . . . . . 4065 2 221 . 2 1 21 21 LEU HD21 H 1 0.20 0.02 . 1 . . . . . . . . 4065 2 222 . 2 1 21 21 LEU HD22 H 1 0.20 0.02 . 1 . . . . . . . . 4065 2 223 . 2 1 21 21 LEU HD23 H 1 0.20 0.02 . 1 . . . . . . . . 4065 2 224 . 2 1 21 21 LEU C C 13 179.00 0.2 . 1 . . . . . . . . 4065 2 225 . 2 1 21 21 LEU CA C 13 57.99 0.2 . 1 . . . . . . . . 4065 2 226 . 2 1 21 21 LEU CB C 13 40.17 0.2 . 1 . . . . . . . . 4065 2 227 . 2 1 21 21 LEU CG C 13 25.83 0.2 . 1 . . . . . . . . 4065 2 228 . 2 1 21 21 LEU CD1 C 13 25.97 0.2 . 1 . . . . . . . . 4065 2 229 . 2 1 21 21 LEU CD2 C 13 21.07 0.2 . 1 . . . . . . . . 4065 2 230 . 2 1 21 21 LEU N N 15 119.86 0.2 . 1 . . . . . . . . 4065 2 231 . 2 1 22 22 LYS H H 1 7.96 0.02 . 1 . . . . . . . . 4065 2 232 . 2 1 22 22 LYS HA H 1 4.27 0.02 . 1 . . . . . . . . 4065 2 233 . 2 1 22 22 LYS HB2 H 1 2.05 0.02 . 2 . . . . . . . . 4065 2 234 . 2 1 22 22 LYS HB3 H 1 1.52 0.02 . 2 . . . . . . . . 4065 2 235 . 2 1 22 22 LYS C C 13 179.78 0.2 . 1 . . . . . . . . 4065 2 236 . 2 1 22 22 LYS CA C 13 58.25 0.2 . 1 . . . . . . . . 4065 2 237 . 2 1 22 22 LYS CB C 13 31.87 0.2 . 1 . . . . . . . . 4065 2 238 . 2 1 22 22 LYS CG C 13 25.22 0.2 . 1 . . . . . . . . 4065 2 239 . 2 1 22 22 LYS CD C 13 29.19 0.2 . 1 . . . . . . . . 4065 2 240 . 2 1 22 22 LYS N N 15 119.86 0.2 . 1 . . . . . . . . 4065 2 241 . 2 1 23 23 LEU H H 1 8.01 0.02 . 1 . . . . . . . . 4065 2 242 . 2 1 23 23 LEU HA H 1 4.31 0.02 . 1 . . . . . . . . 4065 2 243 . 2 1 23 23 LEU HB2 H 1 2.15 0.02 . 2 . . . . . . . . 4065 2 244 . 2 1 23 23 LEU HB3 H 1 2.10 0.02 . 2 . . . . . . . . 4065 2 245 . 2 1 23 23 LEU HG H 1 1.96 0.02 . 1 . . . . . . . . 4065 2 246 . 2 1 23 23 LEU HD11 H 1 1.11 0.02 . 1 . . . . . . . . 4065 2 247 . 2 1 23 23 LEU HD12 H 1 1.11 0.02 . 1 . . . . . . . . 4065 2 248 . 2 1 23 23 LEU HD13 H 1 1.11 0.02 . 1 . . . . . . . . 4065 2 249 . 2 1 23 23 LEU HD21 H 1 1.10 0.02 . 1 . . . . . . . . 4065 2 250 . 2 1 23 23 LEU HD22 H 1 1.10 0.02 . 1 . . . . . . . . 4065 2 251 . 2 1 23 23 LEU HD23 H 1 1.10 0.02 . 1 . . . . . . . . 4065 2 252 . 2 1 23 23 LEU C C 13 177.78 0.2 . 1 . . . . . . . . 4065 2 253 . 2 1 23 23 LEU CA C 13 57.58 0.2 . 1 . . . . . . . . 4065 2 254 . 2 1 23 23 LEU CB C 13 41.67 0.2 . 1 . . . . . . . . 4065 2 255 . 2 1 23 23 LEU CG C 13 27.07 0.2 . 1 . . . . . . . . 4065 2 256 . 2 1 23 23 LEU CD1 C 13 24.07 0.2 . 1 . . . . . . . . 4065 2 257 . 2 1 23 23 LEU CD2 C 13 24.22 0.2 . 1 . . . . . . . . 4065 2 258 . 2 1 23 23 LEU N N 15 121.27 0.2 . 1 . . . . . . . . 4065 2 259 . 2 1 24 24 HIS H H 1 8.32 0.02 . 1 . . . . . . . . 4065 2 260 . 2 1 24 24 HIS HA H 1 3.24 0.02 . 1 . . . . . . . . 4065 2 261 . 2 1 24 24 HIS HB2 H 1 3.45 0.02 . 2 . . . . . . . . 4065 2 262 . 2 1 24 24 HIS HB3 H 1 2.61 0.02 . 2 . . . . . . . . 4065 2 263 . 2 1 24 24 HIS C C 13 176.53 0.2 . 1 . . . . . . . . 4065 2 264 . 2 1 24 24 HIS CA C 13 59.73 0.2 . 1 . . . . . . . . 4065 2 265 . 2 1 24 24 HIS CB C 13 31.88 0.2 . 1 . . . . . . . . 4065 2 266 . 2 1 24 24 HIS N N 15 121.52 0.2 . 1 . . . . . . . . 4065 2 267 . 2 1 25 25 GLU H H 1 7.92 0.02 . 1 . . . . . . . . 4065 2 268 . 2 1 25 25 GLU HA H 1 3.58 0.02 . 1 . . . . . . . . 4065 2 269 . 2 1 25 25 GLU HB2 H 1 2.17 0.02 . 1 . . . . . . . . 4065 2 270 . 2 1 25 25 GLU HB3 H 1 2.17 0.02 . 1 . . . . . . . . 4065 2 271 . 2 1 25 25 GLU HG2 H 1 2.45 0.02 . 1 . . . . . . . . 4065 2 272 . 2 1 25 25 GLU HG3 H 1 2.45 0.02 . 1 . . . . . . . . 4065 2 273 . 2 1 25 25 GLU C C 13 177.48 0.2 . 1 . . . . . . . . 4065 2 274 . 2 1 25 25 GLU CA C 13 59.84 0.2 . 1 . . . . . . . . 4065 2 275 . 2 1 25 25 GLU CB C 13 29.49 0.2 . 1 . . . . . . . . 4065 2 276 . 2 1 25 25 GLU CG C 13 36.03 0.2 . 1 . . . . . . . . 4065 2 277 . 2 1 25 25 GLU N N 15 116.45 0.2 . 1 . . . . . . . . 4065 2 278 . 2 1 26 26 GLU H H 1 8.21 0.02 . 1 . . . . . . . . 4065 2 279 . 2 1 26 26 GLU HA H 1 3.92 0.02 . 1 . . . . . . . . 4065 2 280 . 2 1 26 26 GLU C C 13 179.67 0.2 . 1 . . . . . . . . 4065 2 281 . 2 1 26 26 GLU CA C 13 59.41 0.2 . 1 . . . . . . . . 4065 2 282 . 2 1 26 26 GLU CB C 13 29.42 0.2 . 1 . . . . . . . . 4065 2 283 . 2 1 26 26 GLU CG C 13 36.16 0.2 . 1 . . . . . . . . 4065 2 284 . 2 1 26 26 GLU N N 15 118.01 0.2 . 1 . . . . . . . . 4065 2 285 . 2 1 27 27 ARG H H 1 8.57 0.02 . 1 . . . . . . . . 4065 2 286 . 2 1 27 27 ARG HA H 1 4.00 0.02 . 1 . . . . . . . . 4065 2 287 . 2 1 27 27 ARG HB2 H 1 2.00 0.02 . 2 . . . . . . . . 4065 2 288 . 2 1 27 27 ARG HB3 H 1 1.91 0.02 . 2 . . . . . . . . 4065 2 289 . 2 1 27 27 ARG HG2 H 1 2.22 0.02 . 4 . . . . . . . . 4065 2 290 . 2 1 27 27 ARG C C 13 179.78 . . 1 . . . . . . . . 4065 2 291 . 2 1 27 27 ARG CA C 13 59.45 . . 1 . . . . . . . . 4065 2 292 . 2 1 27 27 ARG CB C 13 29.22 . . 1 . . . . . . . . 4065 2 293 . 2 1 27 27 ARG CG C 13 27.00 . . 1 . . . . . . . . 4065 2 294 . 2 1 27 27 ARG CD C 13 42.07 . . 1 . . . . . . . . 4065 2 295 . 2 1 27 27 ARG N N 15 117.74 . . 1 . . . . . . . . 4065 2 296 . 2 1 28 28 LEU H H 1 8.01 0.02 . 1 . . . . . . . . 4065 2 297 . 2 1 28 28 LEU HA H 1 3.85 0.02 . 1 . . . . . . . . 4065 2 298 . 2 1 28 28 LEU HB2 H 1 1.69 0.02 . 2 . . . . . . . . 4065 2 299 . 2 1 28 28 LEU HB3 H 1 1.38 0.02 . 2 . . . . . . . . 4065 2 300 . 2 1 28 28 LEU HG H 1 1.38 0.02 . 1 . . . . . . . . 4065 2 301 . 2 1 28 28 LEU HD11 H 1 0.31 0.02 . 1 . . . . . . . . 4065 2 302 . 2 1 28 28 LEU HD12 H 1 0.31 0.02 . 1 . . . . . . . . 4065 2 303 . 2 1 28 28 LEU HD13 H 1 0.31 0.02 . 1 . . . . . . . . 4065 2 304 . 2 1 28 28 LEU HD21 H 1 0.70 0.02 . 1 . . . . . . . . 4065 2 305 . 2 1 28 28 LEU HD22 H 1 0.70 0.02 . 1 . . . . . . . . 4065 2 306 . 2 1 28 28 LEU HD23 H 1 0.70 0.02 . 1 . . . . . . . . 4065 2 307 . 2 1 28 28 LEU C C 13 179.32 0.2 . 1 . . . . . . . . 4065 2 308 . 2 1 28 28 LEU CA C 13 57.47 0.2 . 1 . . . . . . . . 4065 2 309 . 2 1 28 28 LEU CB C 13 42.13 0.2 . 1 . . . . . . . . 4065 2 310 . 2 1 28 28 LEU CG C 13 26.84 0.2 . 1 . . . . . . . . 4065 2 311 . 2 1 28 28 LEU CD1 C 13 25.64 0.2 . 1 . . . . . . . . 4065 2 312 . 2 1 28 28 LEU CD2 C 13 25.25 0.2 . 1 . . . . . . . . 4065 2 313 . 2 1 28 28 LEU N N 15 121.27 0.2 . 1 . . . . . . . . 4065 2 314 . 2 1 29 29 LYS H H 1 7.91 0.02 . 1 . . . . . . . . 4065 2 315 . 2 1 29 29 LYS HA H 1 4.10 0.02 . 1 . . . . . . . . 4065 2 316 . 2 1 29 29 LYS HB2 H 1 1.96 0.02 . 1 . . . . . . . . 4065 2 317 . 2 1 29 29 LYS HB3 H 1 1.96 0.02 . 1 . . . . . . . . 4065 2 318 . 2 1 29 29 LYS C C 13 177.41 0.2 . 1 . . . . . . . . 4065 2 319 . 2 1 29 29 LYS CA C 13 58.58 0.2 . 1 . . . . . . . . 4065 2 320 . 2 1 29 29 LYS CB C 13 32.68 0.2 . 1 . . . . . . . . 4065 2 321 . 2 1 29 29 LYS CG C 13 26.04 0.2 . 1 . . . . . . . . 4065 2 322 . 2 1 29 29 LYS CD C 13 29.36 0.2 . 1 . . . . . . . . 4065 2 323 . 2 1 29 29 LYS N N 15 117.44 0.2 . 1 . . . . . . . . 4065 2 324 . 2 1 30 30 LYS H H 1 7.25 0.02 . 1 . . . . . . . . 4065 2 325 . 2 1 30 30 LYS HA H 1 4.42 0.02 . 1 . . . . . . . . 4065 2 326 . 2 1 30 30 LYS HB2 H 1 2.12 0.02 . 2 . . . . . . . . 4065 2 327 . 2 1 30 30 LYS HB3 H 1 1.80 0.02 . 2 . . . . . . . . 4065 2 328 . 2 1 30 30 LYS HG2 H 1 1.65 0.02 . 4 . . . . . . . . 4065 2 329 . 2 1 30 30 LYS HG3 H 1 1.55 0.02 . 4 . . . . . . . . 4065 2 330 . 2 1 30 30 LYS C C 13 175.99 0.2 . 1 . . . . . . . . 4065 2 331 . 2 1 30 30 LYS CA C 13 55.74 0.2 . 1 . . . . . . . . 4065 2 332 . 2 1 30 30 LYS CB C 13 32.91 0.2 . 1 . . . . . . . . 4065 2 333 . 2 1 30 30 LYS CG C 13 24.93 0.2 . 1 . . . . . . . . 4065 2 334 . 2 1 30 30 LYS CD C 13 28.89 0.2 . 1 . . . . . . . . 4065 2 335 . 2 1 30 30 LYS N N 15 116.93 0.2 . 1 . . . . . . . . 4065 2 336 . 2 1 31 31 LEU H H 1 7.15 0.02 . 1 . . . . . . . . 4065 2 337 . 2 1 31 31 LEU HA H 1 4.15 0.02 . 1 . . . . . . . . 4065 2 338 . 2 1 31 31 LEU HB2 H 1 1.87 0.02 . 2 . . . . . . . . 4065 2 339 . 2 1 31 31 LEU HB3 H 1 1.67 0.02 . 2 . . . . . . . . 4065 2 340 . 2 1 31 31 LEU HG H 1 1.93 0.02 . 1 . . . . . . . . 4065 2 341 . 2 1 31 31 LEU HD11 H 1 0.89 0.02 . 1 . . . . . . . . 4065 2 342 . 2 1 31 31 LEU HD12 H 1 0.89 0.02 . 1 . . . . . . . . 4065 2 343 . 2 1 31 31 LEU HD13 H 1 0.89 0.02 . 1 . . . . . . . . 4065 2 344 . 2 1 31 31 LEU HD21 H 1 0.89 0.02 . 1 . . . . . . . . 4065 2 345 . 2 1 31 31 LEU HD22 H 1 0.89 0.02 . 1 . . . . . . . . 4065 2 346 . 2 1 31 31 LEU HD23 H 1 0.89 0.02 . 1 . . . . . . . . 4065 2 347 . 2 1 31 31 LEU C C 13 182.58 0.2 . 1 . . . . . . . . 4065 2 348 . 2 1 31 31 LEU CA C 13 57.24 0.2 . 1 . . . . . . . . 4065 2 349 . 2 1 31 31 LEU CB C 13 42.84 0.2 . 1 . . . . . . . . 4065 2 350 . 2 1 31 31 LEU CG C 13 26.85 0.2 . 1 . . . . . . . . 4065 2 351 . 2 1 31 31 LEU CD1 C 13 26.71 0.2 . 1 . . . . . . . . 4065 2 352 . 2 1 31 31 LEU CD2 C 13 23.99 0.2 . 1 . . . . . . . . 4065 2 353 . 2 1 31 31 LEU N N 15 125.84 0.2 . 1 . . . . . . . . 4065 2 stop_ save_