data_c30744_6wpb save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c30744_6wpb _Entry.Title ; NMR Structure of HSP1-NH2 antimicrobial peptide in presence of SDS-d25 micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-04-27 _Entry.Accession_date 2020-04-27 _Entry.Last_release_date 2020-06-01 _Entry.Original_release_date 2020-06-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 R. Verly R. M. . . c30744_6wpb 2 I. Gomes I. P. . . c30744_6wpb stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ANTIMICROBIAL PROTEIN' . c30744_6wpb 'antimicrobial peptide' . c30744_6wpb stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c30744_6wpb spectral_peak_list 1 c30744_6wpb stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 40 c30744_6wpb '15N chemical shifts' 14 c30744_6wpb '1H chemical shifts' 80 c30744_6wpb 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 1 . . 2020-08-31 . original BMRB . c30744_6wpb stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6WPB 'BMRB Entry Tracking System' c30744_6wpb stop_ save_ save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c30744_6wpb _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32828849 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Membrane interactions of the anuran antimicrobial peptide HSP1-NH 2: Different aspects of the association to anionic and zwitterionic biomimetic systems ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta Biomembr.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 . _Citation.Page_last . _Citation.Year 2020 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 I. Gomes I. P. . . c30744_6wpb 1 2 T. Santos T. L. . . c30744_6wpb 1 3 A. Souza A. N. . . c30744_6wpb 1 4 L. Nunes L. O. . . c30744_6wpb 1 5 G. Cardoso G. A. . . c30744_6wpb 1 6 C. Matos C. O. . . c30744_6wpb 1 7 L. Costa L. M.F. . . c30744_6wpb 1 8 L. Liao L. M. . . c30744_6wpb 1 9 J. Resende J. M. . . c30744_6wpb 1 10 R. Verly R. M. . . c30744_6wpb 1 stop_ save_ save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c30744_6wpb _Assembly.ID 1 _Assembly.Name HSP1-NH2 _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 . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 unit_1 1 $entity_1 A A yes . . . . . . c30744_6wpb 1 stop_ save_ save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c30744_6wpb _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GILDAIKAIAKAAGX ; _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 yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 15 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1311.594 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . GLY . c30744_6wpb 1 2 . ILE . c30744_6wpb 1 3 . LEU . c30744_6wpb 1 4 . ASP . c30744_6wpb 1 5 . ALA . c30744_6wpb 1 6 . ILE . c30744_6wpb 1 7 . LYS . c30744_6wpb 1 8 . ALA . c30744_6wpb 1 9 . ILE . c30744_6wpb 1 10 . ALA . c30744_6wpb 1 11 . LYS . c30744_6wpb 1 12 . ALA . c30744_6wpb 1 13 . ALA . c30744_6wpb 1 14 . GLY . c30744_6wpb 1 15 . NH2 . c30744_6wpb 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 . GLY 1 1 c30744_6wpb 1 . ILE 2 2 c30744_6wpb 1 . LEU 3 3 c30744_6wpb 1 . ASP 4 4 c30744_6wpb 1 . ALA 5 5 c30744_6wpb 1 . ILE 6 6 c30744_6wpb 1 . LYS 7 7 c30744_6wpb 1 . ALA 8 8 c30744_6wpb 1 . ILE 9 9 c30744_6wpb 1 . ALA 10 10 c30744_6wpb 1 . LYS 11 11 c30744_6wpb 1 . ALA 12 12 c30744_6wpb 1 . ALA 13 13 c30744_6wpb 1 . GLY 14 14 c30744_6wpb 1 . NH2 15 15 c30744_6wpb 1 stop_ save_ 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 c30744_6wpb _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 2499473 organism . 'Boana punctata' 'polka-dot treefrog' . . Eukaryota Metazoa Boana punctata . . . . . . . . . . . . . c30744_6wpb 1 stop_ save_ 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 c30744_6wpb _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . c30744_6wpb 1 stop_ save_ save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID c30744_6wpb _Chem_comp.ID NH2 _Chem_comp.Provenance PDB _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NH2 _Chem_comp.PDB_code NH2 _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NH2 _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1/H3N/h1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.023 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details 'OpenEye OEToolkits' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2FLY _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/H3N/h1H3 InChI InChI 1.02b c30744_6wpb NH2 N SMILES ACDLabs 10.04 c30744_6wpb NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b c30744_6wpb NH2 [NH2] SMILES CACTVS 3.341 c30744_6wpb NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 c30744_6wpb NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 c30744_6wpb NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30744_6wpb NH2 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ammonia 'SYSTEMATIC NAME' ACDLabs 10.04 c30744_6wpb NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30744_6wpb NH2 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . c30744_6wpb NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . c30744_6wpb NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . c30744_6wpb NH2 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N HN1 no N 1 . c30744_6wpb NH2 2 . SING N HN2 no N 2 . c30744_6wpb NH2 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c30744_6wpb _Sample.ID 1 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details '1 mM unlable HSP-1, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 HSP-1 unlable . . 1 $entity_1 . . 1 . . mM . . . . c30744_6wpb 1 stop_ save_ save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID c30744_6wpb _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 pH 6.5 . pH c30744_6wpb 1 pressure 1 . atm c30744_6wpb 1 temperature 298 . K c30744_6wpb 1 stop_ save_ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c30744_6wpb _Software.ID 1 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . c30744_6wpb 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement c30744_6wpb 1 . 'structure calculation' c30744_6wpb 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c30744_6wpb _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . c30744_6wpb 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' c30744_6wpb 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID c30744_6wpb _Software.ID 3 _Software.Type . _Software.Name 'PROCHECK / PROCHECK-NMR' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton' . . c30744_6wpb 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' c30744_6wpb 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID c30744_6wpb _Software.ID 4 _Software.Type . _Software.Name QUEEN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Nabuurs, Spronk, Krieger, Maassen, Vriend and Vuister' . . c30744_6wpb 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' c30744_6wpb 4 stop_ save_ save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID c30744_6wpb _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Bruker Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 c30744_6wpb _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker 'Bruker Avance III' . 500 . . . c30744_6wpb 1 stop_ save_ save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID c30744_6wpb _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 '2D NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30744_6wpb 1 2 '2D TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30744_6wpb 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30744_6wpb 1 stop_ save_ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID c30744_6wpb _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 internal direct 1.0 . . . . . c30744_6wpb 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . c30744_6wpb 1 stop_ save_ save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID c30744_6wpb _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.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 NOESY' . . . c30744_6wpb 1 2 '2D TOCSY' . . . c30744_6wpb 1 3 '2D 1H-13C HSQC aliphatic' . . . c30744_6wpb 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 GLY HA2 H 1 3.994 0.0 . 2 . . . . A 1 GLY HA2 . c30744_6wpb 1 2 . 1 . 1 1 1 GLY CA C 13 43.871 0.0 . 1 . . . . A 1 GLY CA . c30744_6wpb 1 3 . 1 . 1 2 2 ILE H H 1 8.76425 0.0 . 1 . . . . A 2 ILE H . c30744_6wpb 1 4 . 1 . 1 2 2 ILE HA H 1 3.9145 0.0 . 1 . . . . A 2 ILE HA . c30744_6wpb 1 5 . 1 . 1 2 2 ILE HB H 1 1.8905 0.0 . 1 . . . . A 2 ILE HB . c30744_6wpb 1 6 . 1 . 1 2 2 ILE HG12 H 1 1.307 0.0 . 2 . . . . A 2 ILE HG12 . c30744_6wpb 1 7 . 1 . 1 2 2 ILE HD11 H 1 0.9635 0.0 . 1 . . . . A 2 ILE HD11 . c30744_6wpb 1 8 . 1 . 1 2 2 ILE HD12 H 1 0.9635 0.0 . 1 . . . . A 2 ILE HD12 . c30744_6wpb 1 9 . 1 . 1 2 2 ILE HD13 H 1 0.9635 0.0 . 1 . . . . A 2 ILE HD13 . c30744_6wpb 1 10 . 1 . 1 2 2 ILE CA C 13 64.393 0.0 . 1 . . . . A 2 ILE CA . c30744_6wpb 1 11 . 1 . 1 2 2 ILE CB C 13 38.464 0.0 . 1 . . . . A 2 ILE CB . c30744_6wpb 1 12 . 1 . 1 2 2 ILE CG2 C 13 17.885 0.0 . 1 . . . . A 2 ILE CG2 . c30744_6wpb 1 13 . 1 . 1 2 2 ILE CD1 C 13 13.983 0.0 . 1 . . . . A 2 ILE CD1 . c30744_6wpb 1 14 . 1 . 1 2 2 ILE N N 15 119.835 0.0 . 1 . . . . A 2 ILE N . c30744_6wpb 1 15 . 1 . 1 3 3 LEU H H 1 8.062375 0.0 . 1 . . . . A 3 LEU H . c30744_6wpb 1 16 . 1 . 1 3 3 LEU HA H 1 4.07036363636 0.0 . 1 . . . . A 3 LEU HA . c30744_6wpb 1 17 . 1 . 1 3 3 LEU HB2 H 1 1.71725 0.0 . 2 . . . . A 3 LEU HB2 . c30744_6wpb 1 18 . 1 . 1 3 3 LEU HG H 1 1.346875 0.0 . 1 . . . . A 3 LEU HG . c30744_6wpb 1 19 . 1 . 1 3 3 LEU HD11 H 1 0.94075 0.0 . 2 . . . . A 3 LEU HD11 . c30744_6wpb 1 20 . 1 . 1 3 3 LEU HD12 H 1 0.94075 0.0 . 2 . . . . A 3 LEU HD12 . c30744_6wpb 1 21 . 1 . 1 3 3 LEU HD13 H 1 0.94075 0.0 . 2 . . . . A 3 LEU HD13 . c30744_6wpb 1 22 . 1 . 1 3 3 LEU HD21 H 1 0.921 0.0 . 2 . . . . A 3 LEU HD21 . c30744_6wpb 1 23 . 1 . 1 3 3 LEU HD22 H 1 0.921 0.0 . 2 . . . . A 3 LEU HD22 . c30744_6wpb 1 24 . 1 . 1 3 3 LEU HD23 H 1 0.921 0.0 . 2 . . . . A 3 LEU HD23 . c30744_6wpb 1 25 . 1 . 1 3 3 LEU CA C 13 58.396 0.0 . 1 . . . . A 3 LEU CA . c30744_6wpb 1 26 . 1 . 1 3 3 LEU CB C 13 40.9465 0.0 . 1 . . . . A 3 LEU CB . c30744_6wpb 1 27 . 1 . 1 3 3 LEU CG C 13 27.459 0.0 . 1 . . . . A 3 LEU CG . c30744_6wpb 1 28 . 1 . 1 3 3 LEU CD1 C 13 24.624 0.0 . 2 . . . . A 3 LEU CD1 . c30744_6wpb 1 29 . 1 . 1 3 3 LEU CD2 C 13 24.197 0.0 . 2 . . . . A 3 LEU CD2 . c30744_6wpb 1 30 . 1 . 1 3 3 LEU N N 15 118.913 0.0 . 1 . . . . A 3 LEU N . c30744_6wpb 1 31 . 1 . 1 4 4 ASP H H 1 7.7815 0.0 . 1 . . . . A 4 ASP H . c30744_6wpb 1 32 . 1 . 1 4 4 ASP HA H 1 4.317 0.0 . 1 . . . . A 4 ASP HA . c30744_6wpb 1 33 . 1 . 1 4 4 ASP CA C 13 56.611 0.0 . 1 . . . . A 4 ASP CA . c30744_6wpb 1 34 . 1 . 1 4 4 ASP CB C 13 38.477 0.0 . 1 . . . . A 4 ASP CB . c30744_6wpb 1 35 . 1 . 1 4 4 ASP N N 15 120.172 0.0 . 1 . . . . A 4 ASP N . c30744_6wpb 1 36 . 1 . 1 5 5 ALA H H 1 7.84275 0.0 . 1 . . . . A 5 ALA H . c30744_6wpb 1 37 . 1 . 1 5 5 ALA HA H 1 4.1915 0.0 . 1 . . . . A 5 ALA HA . c30744_6wpb 1 38 . 1 . 1 5 5 ALA HB1 H 1 1.51225 0.0 . 1 . . . . A 5 ALA HB1 . c30744_6wpb 1 39 . 1 . 1 5 5 ALA HB2 H 1 1.51225 0.0 . 1 . . . . A 5 ALA HB2 . c30744_6wpb 1 40 . 1 . 1 5 5 ALA HB3 H 1 1.51225 0.0 . 1 . . . . A 5 ALA HB3 . c30744_6wpb 1 41 . 1 . 1 5 5 ALA CA C 13 53.573 0.0 . 1 . . . . A 5 ALA CA . c30744_6wpb 1 42 . 1 . 1 5 5 ALA CB C 13 18.699 0.0 . 1 . . . . A 5 ALA CB . c30744_6wpb 1 43 . 1 . 1 5 5 ALA N N 15 120.979 0.0 . 1 . . . . A 5 ALA N . c30744_6wpb 1 44 . 1 . 1 6 6 ILE H H 1 8.177 0.0 . 1 . . . . A 6 ILE H . c30744_6wpb 1 45 . 1 . 1 6 6 ILE HA H 1 3.65271428571 0.0 . 1 . . . . A 6 ILE HA . c30744_6wpb 1 46 . 1 . 1 6 6 ILE HB H 1 2.00816666667 0.0 . 1 . . . . A 6 ILE HB . c30744_6wpb 1 47 . 1 . 1 6 6 ILE HG12 H 1 1.114 0.0 . 2 . . . . A 6 ILE HG12 . c30744_6wpb 1 48 . 1 . 1 6 6 ILE HG21 H 1 0.971375 0.0 . 1 . . . . A 6 ILE HG21 . c30744_6wpb 1 49 . 1 . 1 6 6 ILE HG22 H 1 0.971375 0.0 . 1 . . . . A 6 ILE HG22 . c30744_6wpb 1 50 . 1 . 1 6 6 ILE HG23 H 1 0.971375 0.0 . 1 . . . . A 6 ILE HG23 . c30744_6wpb 1 51 . 1 . 1 6 6 ILE HD11 H 1 1.357 0.0 . 1 . . . . A 6 ILE HD11 . c30744_6wpb 1 52 . 1 . 1 6 6 ILE HD12 H 1 1.357 0.0 . 1 . . . . A 6 ILE HD12 . c30744_6wpb 1 53 . 1 . 1 6 6 ILE HD13 H 1 1.357 0.0 . 1 . . . . A 6 ILE HD13 . c30744_6wpb 1 54 . 1 . 1 6 6 ILE CA C 13 65.341 0.0 . 1 . . . . A 6 ILE CA . c30744_6wpb 1 55 . 1 . 1 6 6 ILE CB C 13 37.857 0.0 . 1 . . . . A 6 ILE CB . c30744_6wpb 1 56 . 1 . 1 6 6 ILE CG1 C 13 29.222 0.0 . 1 . . . . A 6 ILE CG1 . c30744_6wpb 1 57 . 1 . 1 6 6 ILE CG2 C 13 17.641 0.0 . 1 . . . . A 6 ILE CG2 . c30744_6wpb 1 58 . 1 . 1 6 6 ILE CD1 C 13 13.692 0.0 . 1 . . . . A 6 ILE CD1 . c30744_6wpb 1 59 . 1 . 1 6 6 ILE N N 15 117.946 0.0 . 1 . . . . A 6 ILE N . c30744_6wpb 1 60 . 1 . 1 7 7 LYS H H 1 8.20175 0.0 . 1 . . . . A 7 LYS H . c30744_6wpb 1 61 . 1 . 1 7 7 LYS HA H 1 3.849375 0.0 . 1 . . . . A 7 LYS HA . c30744_6wpb 1 62 . 1 . 1 7 7 LYS HB2 H 1 1.8235 0.0 . 2 . . . . A 7 LYS HB2 . c30744_6wpb 1 63 . 1 . 1 7 7 LYS HG2 H 1 1.6597 0.0 . 2 . . . . A 7 LYS HG2 . c30744_6wpb 1 64 . 1 . 1 7 7 LYS HD2 H 1 1.8905 0.0 . 2 . . . . A 7 LYS HD2 . c30744_6wpb 1 65 . 1 . 1 7 7 LYS HE2 H 1 1.314 0.0 . 2 . . . . A 7 LYS HE2 . c30744_6wpb 1 66 . 1 . 1 7 7 LYS HZ1 H 1 7.444 0.0 . 1 . . . . A 7 LYS HZ1 . c30744_6wpb 1 67 . 1 . 1 7 7 LYS HZ2 H 1 7.444 0.0 . 1 . . . . A 7 LYS HZ2 . c30744_6wpb 1 68 . 1 . 1 7 7 LYS HZ3 H 1 7.444 0.0 . 1 . . . . A 7 LYS HZ3 . c30744_6wpb 1 69 . 1 . 1 7 7 LYS CA C 13 60.496 0.0 . 1 . . . . A 7 LYS CA . c30744_6wpb 1 70 . 1 . 1 7 7 LYS CB C 13 32.402 0.0 . 1 . . . . A 7 LYS CB . c30744_6wpb 1 71 . 1 . 1 7 7 LYS CG C 13 26.19 0.0 . 1 . . . . A 7 LYS CG . c30744_6wpb 1 72 . 1 . 1 7 7 LYS CD C 13 27.423 0.0 . 1 . . . . A 7 LYS CD . c30744_6wpb 1 73 . 1 . 1 7 7 LYS CE C 13 42.206 0.0 . 1 . . . . A 7 LYS CE . c30744_6wpb 1 74 . 1 . 1 7 7 LYS N N 15 119.3045 0.0 . 1 . . . . A 7 LYS N . c30744_6wpb 1 75 . 1 . 1 8 8 ALA H H 1 7.7475 0.0 . 1 . . . . A 8 ALA H . c30744_6wpb 1 76 . 1 . 1 8 8 ALA HA H 1 4.10425 0.0 . 1 . . . . A 8 ALA HA . c30744_6wpb 1 77 . 1 . 1 8 8 ALA HB1 H 1 1.5385 0.0 . 1 . . . . A 8 ALA HB1 . c30744_6wpb 1 78 . 1 . 1 8 8 ALA HB2 H 1 1.5385 0.0 . 1 . . . . A 8 ALA HB2 . c30744_6wpb 1 79 . 1 . 1 8 8 ALA HB3 H 1 1.5385 0.0 . 1 . . . . A 8 ALA HB3 . c30744_6wpb 1 80 . 1 . 1 8 8 ALA CA C 13 55.142 0.0 . 1 . . . . A 8 ALA CA . c30744_6wpb 1 81 . 1 . 1 8 8 ALA CB C 13 18.267 0.0 . 1 . . . . A 8 ALA CB . c30744_6wpb 1 82 . 1 . 1 8 8 ALA N N 15 119.284 0.0 . 1 . . . . A 8 ALA N . c30744_6wpb 1 83 . 1 . 1 9 9 ILE H H 1 8.08633333333 0.0 . 1 . . . . A 9 ILE H . c30744_6wpb 1 84 . 1 . 1 9 9 ILE HA H 1 3.74185714286 0.0 . 1 . . . . A 9 ILE HA . c30744_6wpb 1 85 . 1 . 1 9 9 ILE HB H 1 1.8718 0.0 . 1 . . . . A 9 ILE HB . c30744_6wpb 1 86 . 1 . 1 9 9 ILE HG12 H 1 0.9135 0.0 . 2 . . . . A 9 ILE HG12 . c30744_6wpb 1 87 . 1 . 1 9 9 ILE HD11 H 1 0.876 0.0 . 1 . . . . A 9 ILE HD11 . c30744_6wpb 1 88 . 1 . 1 9 9 ILE HD12 H 1 0.876 0.0 . 1 . . . . A 9 ILE HD12 . c30744_6wpb 1 89 . 1 . 1 9 9 ILE HD13 H 1 0.876 0.0 . 1 . . . . A 9 ILE HD13 . c30744_6wpb 1 90 . 1 . 1 9 9 ILE CA C 13 64.761 0.0 . 1 . . . . A 9 ILE CA . c30744_6wpb 1 91 . 1 . 1 9 9 ILE CB C 13 38.317 0.0 . 1 . . . . A 9 ILE CB . c30744_6wpb 1 92 . 1 . 1 9 9 ILE CD1 C 13 13.025 0.0 . 1 . . . . A 9 ILE CD1 . c30744_6wpb 1 93 . 1 . 1 9 9 ILE N N 15 117.189 0.0 . 1 . . . . A 9 ILE N . c30744_6wpb 1 94 . 1 . 1 10 10 ALA H H 1 8.37325 0.0 . 1 . . . . A 10 ALA H . c30744_6wpb 1 95 . 1 . 1 10 10 ALA HA H 1 3.964 0.0 . 1 . . . . A 10 ALA HA . c30744_6wpb 1 96 . 1 . 1 10 10 ALA HB1 H 1 1.4555 0.0 . 1 . . . . A 10 ALA HB1 . c30744_6wpb 1 97 . 1 . 1 10 10 ALA HB2 H 1 1.4555 0.0 . 1 . . . . A 10 ALA HB2 . c30744_6wpb 1 98 . 1 . 1 10 10 ALA HB3 H 1 1.4555 0.0 . 1 . . . . A 10 ALA HB3 . c30744_6wpb 1 99 . 1 . 1 10 10 ALA CA C 13 55.231 0.0 . 1 . . . . A 10 ALA CA . c30744_6wpb 1 100 . 1 . 1 10 10 ALA CB C 13 18.897 0.0 . 1 . . . . A 10 ALA CB . c30744_6wpb 1 101 . 1 . 1 10 10 ALA N N 15 120.042 0.0 . 1 . . . . A 10 ALA N . c30744_6wpb 1 102 . 1 . 1 11 11 LYS H H 1 7.9466 0.0 . 1 . . . . A 11 LYS H . c30744_6wpb 1 103 . 1 . 1 11 11 LYS HA H 1 4.01636363636 0.0 . 1 . . . . A 11 LYS HA . c30744_6wpb 1 104 . 1 . 1 11 11 LYS HB2 H 1 1.913 0.0 . 2 . . . . A 11 LYS HB2 . c30744_6wpb 1 105 . 1 . 1 11 11 LYS HG2 H 1 1.50466666667 0.0 . 2 . . . . A 11 LYS HG2 . c30744_6wpb 1 106 . 1 . 1 11 11 LYS HZ1 H 1 7.522 0.0 . 1 . . . . A 11 LYS HZ1 . c30744_6wpb 1 107 . 1 . 1 11 11 LYS HZ2 H 1 7.522 0.0 . 1 . . . . A 11 LYS HZ2 . c30744_6wpb 1 108 . 1 . 1 11 11 LYS HZ3 H 1 7.522 0.0 . 1 . . . . A 11 LYS HZ3 . c30744_6wpb 1 109 . 1 . 1 11 11 LYS CA C 13 58.684 0.0 . 1 . . . . A 11 LYS CA . c30744_6wpb 1 110 . 1 . 1 11 11 LYS CB C 13 29.129 0.0 . 1 . . . . A 11 LYS CB . c30744_6wpb 1 111 . 1 . 1 11 11 LYS CG C 13 25.1565 0.0 . 1 . . . . A 11 LYS CG . c30744_6wpb 1 112 . 1 . 1 11 11 LYS CD C 13 26.178 0.0 . 1 . . . . A 11 LYS CD . c30744_6wpb 1 113 . 1 . 1 11 11 LYS N N 15 119.038 0.0 . 1 . . . . A 11 LYS N . c30744_6wpb 1 114 . 1 . 1 11 11 LYS NZ N 15 120.641 0.0 . 1 . . . . A 11 LYS NZ . c30744_6wpb 1 115 . 1 . 1 12 12 ALA H H 1 7.80375 0.0 . 1 . . . . A 12 ALA H . c30744_6wpb 1 116 . 1 . 1 12 12 ALA HA H 1 4.1755 0.0 . 1 . . . . A 12 ALA HA . c30744_6wpb 1 117 . 1 . 1 12 12 ALA HB1 H 1 1.49475 0.0 . 1 . . . . A 12 ALA HB1 . c30744_6wpb 1 118 . 1 . 1 12 12 ALA HB2 H 1 1.49475 0.0 . 1 . . . . A 12 ALA HB2 . c30744_6wpb 1 119 . 1 . 1 12 12 ALA HB3 H 1 1.49475 0.0 . 1 . . . . A 12 ALA HB3 . c30744_6wpb 1 120 . 1 . 1 12 12 ALA CA C 13 54.035 0.0 . 1 . . . . A 12 ALA CA . c30744_6wpb 1 121 . 1 . 1 12 12 ALA CB C 13 18.593 0.0 . 1 . . . . A 12 ALA CB . c30744_6wpb 1 122 . 1 . 1 12 12 ALA N N 15 117.36 0.0 . 1 . . . . A 12 ALA N . c30744_6wpb 1 123 . 1 . 1 13 13 ALA H H 1 8.051 0.0 . 1 . . . . A 13 ALA H . c30744_6wpb 1 124 . 1 . 1 13 13 ALA HA H 1 4.22775 0.0 . 1 . . . . A 13 ALA HA . c30744_6wpb 1 125 . 1 . 1 13 13 ALA HB1 H 1 1.41125 0.0 . 1 . . . . A 13 ALA HB1 . c30744_6wpb 1 126 . 1 . 1 13 13 ALA HB2 H 1 1.41125 0.0 . 1 . . . . A 13 ALA HB2 . c30744_6wpb 1 127 . 1 . 1 13 13 ALA HB3 H 1 1.41125 0.0 . 1 . . . . A 13 ALA HB3 . c30744_6wpb 1 128 . 1 . 1 13 13 ALA CA C 13 55.316 0.0 . 1 . . . . A 13 ALA CA . c30744_6wpb 1 129 . 1 . 1 13 13 ALA CB C 13 19.104 0.0 . 1 . . . . A 13 ALA CB . c30744_6wpb 1 130 . 1 . 1 13 13 ALA N N 15 119.217 0.0 . 1 . . . . A 13 ALA N . c30744_6wpb 1 131 . 1 . 1 14 14 GLY HA2 H 1 3.888 0.0 . 2 . . . . A 14 GLY HA2 . c30744_6wpb 1 132 . 1 . 1 14 14 GLY CA C 13 45.343 0.0 . 1 . . . . A 14 GLY CA . c30744_6wpb 1 133 . 1 . 1 14 14 GLY N N 15 111.991 0.0 . 1 . . . . A 14 GLY N . c30744_6wpb 1 134 . 1 . 1 15 15 NH2 HN1 H 1 7.9265 0.0 . 1 . . . . A 15 NH2 HN1 . c30744_6wpb 1 stop_ save_ save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID c30744_6wpb _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 1Hx 1Hy noesy_hsp1_sds_poly.nv {6009.62 } {6009.62 } {500.1320 } {500.1320 } 1Hx.L 1Hx.P 1Hx.W 1Hx.B 1Hx.E 1Hx.J 1Hx.U 1Hy.L 1Hy.P 1Hy.W 1Hy.B 1Hy.E 1Hy.J 1Hy.U vol int stat comment flag0 0 {4.HN} 7.802 0.041 0.041 ? 0.000 {?} {4.HB1} 2.867 0.337 0.133 ? 0.000 {?} 8.94908 8.94908 0 {?} 0 1 {4.HN} 7.799 0.040 0.040 ++ 0.000 {?} {4.HA} 4.307 0.060 0.060 ++ 0.000 {?} 16.64226 16.64226 0 {?} 0 2 {14.HN} 7.940 0.055 0.055 ? 0.000 {?} {14.HA2} 3.888 0.117 0.095 ++ 0.000 {?} 14.56904 14.56904 0 {?} 0 3 {12.HN} 7.817 nan 0.051 ? 0.000 {?} {12.HA} 4.165 0.419 0.084 ? 0.000 {?} 8.60641 8.60641 0 {?} 0 4 {13.HN} 8.088 0.017 0.037 ++ 0.000 {?} {13.HA} 4.199 0.028 0.055 ++ 0.000 {?} 77.17121 77.17121 0 {?} 0 5 {13.HN} 8.092 0.020 0.036 ? 0.000 {?} {12.HN} 7.808 0.050 0.083 ++ 0.000 {?} 68.21216 68.21216 0 {?} 0 6 {14.HN} 7.940 0.038 0.048 ++ 0.000 {?} {13.HA} 4.189 0.064 0.085 ++ 0.000 {?} 45.90742 45.90742 0 {?} 0 7 {13.HN} 8.092 0.041 0.040 ++ 0.000 {?} {12.HA} 4.140 0.030 0.027 ++ 0.000 {?} 25.07659 25.07659 0 {?} 0 8 {12.HN} 7.823 0.032 0.048 ++ 0.000 {?} {13.HN} 8.085 0.051 0.085 ++ 0.000 {?} 64.88980 64.88980 0 {?} 0 9 {5.HN} 7.885 0.032 0.038 ++ 0.000 {?} {5.HA} 4.192 0.050 0.065 ++ 0.000 {?} 42.39100 42.39100 0 {?} 0 10 {5.HN} 7.886 0.023 0.023 ? 0.000 {?} {4.HA} 4.310 0.069 0.047 ++ 0.000 {?} 18.03503 18.03503 0 {?} 0 11 {8.HN} 7.776 0.016 0.030 ++ 0.000 {?} {8.HA} 4.099 0.039 0.068 ++ 0.000 {?} 28.55079 28.55079 0 {?} 0 12 {5.HN} 7.886 0.017 0.018 ? 0.000 {?} {3.HA} 4.072 0.046 0.037 ++ 0.000 {?} 9.72587 9.72587 0 {?} 0 13 {3.HN} 8.051 0.030 0.045 ++ 0.000 {?} {3.HA} 4.072 0.048 0.085 ++ 0.000 {?} 31.84400 31.84400 0 {?} 0 14 {3.HN} 8.054 0.031 0.043 ? 0.000 {?} {4.HN} 7.796 0.041 0.062 ++ 0.000 {?} 18.85753 18.85753 0 {?} 0 15 {4.HN} 7.797 0.020 0.028 ++ 0.000 {?} {3.HN} 8.051 0.042 0.066 ++ 0.000 {?} 32.09948 32.09948 0 {?} 0 16 {6.HN} 8.213 0.016 0.027 ? 0.000 {?} {6.HA} 3.643 0.041 0.058 ++ 0.000 {?} 26.01795 26.01795 0 {?} 0 17 {6.HN} 8.214 0.017 0.017 ? 0.000 {?} {3.HA} 4.072 0.033 0.032 ++ 0.000 {?} 11.65888 11.65888 0 {?} 0 18 {7.HN} 8.230 0.016 0.034 ++ 0.000 {?} {7.HA} 3.843 0.033 0.066 ++ 0.000 {?} 55.81388 55.81388 0 {?} 0 19 {7.HN} 8.234 0.007 0.011 ++ 0.000 {?} {6.HA} 3.641 0.039 0.046 ++ 0.000 {?} 18.30249 18.30249 0 {?} 0 20 {2.HN} 8.787 0.030 0.068 ? 0.000 {?} {2.HA} 3.904 0.031 0.087 ? 0.000 {?} 44.25867 44.25867 0 {?} 0 21 {3.HN} 8.046 0.017 0.039 ? 0.000 {?} {2.HA} 3.901 0.049 0.056 ++ 0.000 {?} 15.30268 15.30268 0 {?} 0 22 {2.HN} 8.787 0.023 0.026 ++ 0.000 {?} {3.HN} 8.044 0.036 0.044 ++ 0.000 {?} 17.76829 17.76829 0 {?} 0 23 {3.HN} 8.049 0.018 0.018 ? 0.000 {?} {2.HN} 8.790 0.104 0.041 ? 0.000 {?} 7.37362 7.37362 0 {?} 0 24 {8.HN} 7.775 0.023 0.023 ? 0.000 {?} {7.HA} 3.844 0.039 0.036 ++ 0.000 {?} 9.99669 9.99669 0 {?} 0 25 {7.HN} 8.230 0.018 0.013 ? 0.000 {?} {8.HN} 7.773 0.063 0.041 ++ 0.000 {?} 7.34649 7.34649 0 {?} 0 26 {8.HN} 7.774 0.016 0.012 ++ 0.000 {?} {7.HN} 8.227 0.031 0.024 ++ 0.000 {?} 9.27888 9.27888 0 {?} 0 27 {14.HN} 7.948 0.022 0.022 ? 0.000 {?} {13.HN} 8.089 0.042 0.044 ++ 0.000 {?} 14.27192 14.27192 0 {?} 0 28 {13.HN} 8.092 0.018 0.034 ? 0.000 {?} {14.HN} 7.934 0.032 0.044 ++ 0.000 {?} 22.53889 22.53889 0 {?} 0 29 {4.HN} 7.797 0.020 0.020 ? 0.000 {?} {5.HN} 7.881 0.007 0.019 ++ 0.000 {?} 60.96284 60.96284 0 {?} 0 30 {10.HN} 8.414 0.009 0.019 ? 0.000 {?} {9.HN} 8.107 0.060 0.075 ++ 0.000 {?} 12.86166 12.86166 0 {?} 0 31 {9.HN} 8.113 0.018 0.018 ? 0.000 {?} {10.HN} 8.402 0.058 0.067 ++ 0.000 {?} 11.42986 11.42986 0 {?} 0 32 {5.HN} 7.887 0.004 0.019 ? 0.000 {?} {4.HN} 7.789 0.041 0.068 ++ 0.000 {?} 23.25611 23.25611 0 {?} 0 33 {10.HN} 8.409 0.022 0.050 ? 0.000 {?} {10.HA} 3.958 0.041 0.085 ++ 0.000 {?} 54.22083 54.22083 0 {?} 0 34 {9.HN} 8.110 0.032 0.032 ? 0.000 {?} {9.HA} 3.727 0.039 0.063 ++ 0.000 {?} 18.75227 18.75227 0 {?} 0 35 {6.HN} 8.211 0.029 0.033 ++ 0.000 {?} {5.HN} 7.882 0.040 0.045 ++ 0.000 {?} 12.86166 12.86166 0 {?} 0 36 {5.HN} 7.887 0.024 0.024 ? 0.000 {?} {6.HN} 8.212 0.061 0.054 ++ 0.000 {?} 10.72236 10.72236 0 {?} 0 37 {2.HN} 8.792 0.032 0.062 ++ 0.000 {?} {2.HB} 1.873 0.047 0.092 ++ 0.000 {?} 43.05474 43.05474 0 {?} 0 38 {10.HN} 8.410 0.026 0.061 ++ 0.000 {?} {10.HB1} 1.452 0.038 0.087 ++ 0.000 {?} 85.24989 85.24989 0 {?} 0 39 {7.HN} 8.217 0.031 0.041 ? 0.000 {?} {7.HB1} 1.526 0.043 0.062 ++ 0.000 {?} 18.72028 18.72028 0 {?} 0 40 {6.HN} 8.215 0.018 0.034 ++ 0.000 {?} {6.HB} 2.001 0.039 0.067 ++ 0.000 {?} 19.09359 19.09359 0 {?} 0 41 {3.HN} 8.049 0.048 0.048 ? 0.000 {?} {3.HB1} 1.878 0.047 0.047 ++ 0.000 {?} 8.62462 8.62462 0 {?} 0 42 {5.HN} 7.888 0.024 0.065 ? 0.000 {?} {5.HB1} 1.528 0.050 0.103 ++ 0.000 {?} 64.38083 64.38083 0 {?} 0 43 {12.HN} 7.820 0.018 0.058 ? 0.000 {?} {12.HB1} 1.495 0.048 0.132 ++ 0.000 {?} 112.66859 112.66859 0 {?} 0 44 {8.HN} 7.777 0.035 0.052 ? 0.000 {?} {8.HB1} 1.531 0.035 0.085 ++ 0.000 {?} 78.85336 78.85336 0 {?} 0 45 {11.HN} 8.101 0.013 0.045 ? 0.000 {?} {11.HA} 4.004 0.055 0.084 ++ 0.000 {?} 73.79111 73.79111 0 {?} 0 46 {10.HN} 8.409 0.025 0.032 ++ 0.000 {?} {7.HA} 3.843 0.056 0.062 ++ 0.000 {?} 18.30249 18.30249 0 {?} 0 47 {10.HN} 8.410 0.028 0.030 ++ 0.000 {?} {9.HA} 3.727 0.061 0.065 ++ 0.000 {?} 16.52552 16.52552 0 {?} 0 48 {10.HN} 8.408 0.026 0.026 ? 0.000 {?} {6.HA} 3.642 0.125 0.055 ? 0.000 {?} 8.62050 8.62050 0 {?} 0 49 {12.HN} 7.819 0.024 0.031 ++ 0.000 {?} {11.HA} 4.011 0.065 0.089 ++ 0.000 {?} 24.61620 24.61620 0 {?} 0 50 {12.HN} 7.819 0.026 0.032 ++ 0.000 {?} {9.HA} 3.728 0.050 0.060 ++ 0.000 {?} 19.79716 19.79716 0 {?} 0 51 {5.HB1} 1.547 0.022 0.034 ? 0.000 {?} {2.HA} 3.901 0.041 0.071 ++ 0.000 {?} 37.76704 37.76704 0 {?} 0 52 {2.HA} 3.909 0.039 0.039 ? 0.000 {?} {5.HB1} 1.538 0.042 0.065 ++ 0.000 {?} 59.51037 59.51037 0 {?} 0 53 {13.HN} 8.096 0.036 0.078 ? 0.000 {?} {13.HB1} 1.458 0.047 0.104 ++ 0.000 {?} 173.54181 173.54181 0 {?} 0 54 {3.HN} 8.018 0.032 0.033 ++ 0.000 {?} {3.HB2} 1.454 0.086 0.091 ++ 0.000 {?} 15.23359 15.23359 0 {?} 0 55 {7.HZ1} 7.451 0.088 0.088 ? 0.000 {?} {7.HE1} 2.953 0.055 0.090 ++ 0.000 {?} 44.85083 44.85083 0 {?} 0 56 {7.HZ1} 7.464 0.043 0.072 ? 0.000 {?} {7.HD1} 1.687 0.082 0.074 ++ 0.000 {?} 10.47056 10.47056 0 {?} 0 57 {11.HN} 8.105 0.013 0.048 ? 0.000 {?} {11.HB2} 1.878 0.053 0.112 ++ 0.000 {?} 28.90059 28.90059 0 {?} 0 58 {2.HN} 8.786 0.050 0.064 ++ 0.000 {?} {2.HG12} 1.637 0.068 0.085 ++ 0.000 {?} 26.21249 26.21249 0 {?} 0 59 {2.HN} 8.782 0.021 0.018 ? 0.000 {?} {2.HG11} 1.249 0.010 0.008 ? 0.000 {?} 12.77019 12.77019 0 {?} 0 60 {2.HN} 8.789 0.031 0.041 ++ 0.000 {?} {2.HD11} 0.971 0.044 0.069 ++ 0.000 {?} 27.39500 27.39500 0 {?} 0 61 {?3.HN} 8.052 0.024 0.036 ++ 0.000 {?} {?2.HD11} 0.974 0.044 0.070 ++ 0.000 {?} 23.71833 23.71833 1 {?} 0 62 {10.HN} 8.409 0.027 0.040 ++ 0.000 {?} {9.HB} 1.951 0.048 0.111 ? 0.000 {?} 16.35051 16.35051 0 {?} 0 63 {?6.HN} 8.223 0.034 0.055 ++ 0.000 {?} {?3.HB1} 1.879 0.066 0.113 ++ 0.000 {?} 33.74239 33.74239 0 {?} 0 64 {7.HN} 8.229 0.023 0.030 ++ 0.000 {?} {7.HD1} 1.698 0.072 0.088 ++ 0.000 {?} 21.39661 21.39661 0 {?} 0 65 {?3.HN} 8.054 0.025 0.043 ++ 0.000 {?} {?2.HG12} 1.650 0.072 0.097 ++ 0.000 {?} 14.79834 14.79834 0 {?} 0 66 {12.HN} 7.818 0.028 0.052 ? 0.000 {?} {11.HB2} 1.877 0.048 0.085 ++ 0.000 {?} 26.55058 26.55058 0 {?} 0 67 {8.HN} 7.797 0.030 0.042 ++ 0.000 {?} {7.HD1} 1.686 0.098 0.125 ++ 0.000 {?} 25.48353 25.48353 0 {?} 0 68 {2.HA} 3.909 0.024 0.041 ? 0.000 {?} {2.HN} 8.785 0.051 0.093 ++ 0.000 {?} 39.49155 39.49155 0 {?} 0 69 {10.HA} 3.963 0.021 0.057 ? 0.000 {?} {10.HN} 8.402 0.049 0.104 ? 0.000 {?} 36.11618 36.11618 0 {?} 0 70 {7.HA} 3.847 0.050 0.050 ? 0.000 {?} {7.HN} 8.227 0.065 0.076 ++ 0.000 {?} 14.08256 14.08256 0 {?} 0 71 {6.HA} 3.649 0.043 0.049 ? 0.000 {?} {6.HN} 8.208 0.067 0.078 ++ 0.000 {?} 20.13649 20.13649 0 {?} 0 72 {9.HA} 3.733 0.039 0.051 ? 0.000 {?} {9.HN} 8.109 0.069 0.106 ++ 0.000 {?} 30.29468 30.29468 0 {?} 0 73 {14.HA1} 3.870 0.024 0.057 ? 0.000 {?} {14.HN} 7.934 0.042 0.087 ++ 0.000 {?} 67.02821 67.02821 0 {?} 0 74 {11.HA} 4.016 0.024 0.061 ? 0.000 {?} {11.HN} 8.093 0.050 0.102 ++ 0.000 {?} 39.47403 39.47403 0 {?} 0 75 {3.HA} 4.101 0.046 0.051 ? 0.000 {?} {3.HN} 8.105 0.050 0.065 ++ 0.000 {?} 9.51215 9.51215 0 {?} 0 76 {13.HA} 4.192 0.052 0.073 ? 0.000 {?} {13.HN} 8.090 0.049 0.078 ++ 0.000 {?} 29.33895 29.33895 0 {?} 0 77 {8.HA} 4.107 0.054 0.054 ? 0.000 {?} {8.HN} 7.778 0.055 0.086 ++ 0.000 {?} 25.14622 25.14622 0 {?} 0 78 {12.HA} 4.170 0.034 0.048 ? 0.000 {?} {12.HN} 7.816 0.045 0.072 ++ 0.000 {?} 18.80498 18.80498 0 {?} 0 79 {5.HA} 4.205 0.030 0.042 ? 0.000 {?} {5.HN} 7.913 0.073 0.078 ++ 0.000 {?} 17.90922 17.90922 0 {?} 0 80 {4.HA} 4.311 0.051 0.051 ? 0.000 {?} {4.HN} 7.793 0.056 0.051 ++ 0.000 {?} 6.01431 6.01431 0 {?} 0 81 {9.HA} 3.731 0.052 0.052 ? 0.000 {?} {10.HN} 8.405 0.057 0.060 ++ 0.000 {?} 13.58204 13.58204 0 {?} 0 82 {7.HA} 3.846 0.043 0.054 ? 0.000 {?} {10.HN} 8.405 0.053 0.064 ++ 0.000 {?} 17.69903 17.69903 0 {?} 0 83 {6.HA} 3.646 0.046 0.046 ? 0.000 {?} {9.HN} 8.114 0.069 0.064 ++ 0.000 {?} 10.95378 10.95378 0 {?} 0 84 {6.HA} 3.645 0.037 0.037 ? 0.000 {?} {10.HN} 8.407 0.095 0.056 ++ 0.000 {?} 8.06564 8.06564 0 {?} 0 85 {9.HA} 3.734 0.024 0.051 ? 0.000 {?} {12.HN} 7.812 0.053 0.073 ++ 0.000 {?} 14.44617 14.44617 0 {?} 0 86 {7.HA} 3.853 0.039 0.039 ? 0.000 {?} {9.HN} 8.112 0.073 0.073 ++ 0.000 {?} 9.26906 9.26906 0 {?} 0 87 {11.HA} 4.028 0.039 0.039 ? 0.000 {?} {14.HN} 7.936 0.082 0.074 ++ 0.000 {?} 9.67254 9.67254 0 {?} 0 88 {11.HA} 4.019 0.048 0.048 ? 0.000 {?} {12.HN} 7.818 0.046 0.072 ++ 0.000 {?} 18.26073 18.26073 0 {?} 0 89 {7.HA} 3.838 0.030 0.033 ? 0.000 {?} {8.HN} 7.774 0.060 0.064 ++ 0.000 {?} 14.71186 14.71186 0 {?} 0 90 {4.HB1} 2.856 0.083 0.114 ? 0.000 {?} {4.HA} 4.309 0.049 0.081 ++ 0.000 {?} 53.53090 53.53090 0 {?} 0 91 {13.HB1} 1.429 0.016 0.028 ? 0.000 {?} {13.HA} 4.191 0.049 0.095 ++ 0.000 {?} 105.00390 105.00390 0 {?} 0 92 {5.HB1} 1.463 0.010 0.032 ? 0.000 {?} {5.HA} 4.193 0.047 0.078 ++ 0.000 {?} 105.91106 105.91106 0 {?} 0 93 {12.HB1} 1.503 0.006 0.029 ? 0.000 {?} {12.HA} 4.171 0.042 0.088 ++ 0.000 {?} 285.44141 285.44141 0 {?} 0 94 {8.HB1} 1.531 0.035 0.056 ? 0.000 {?} {8.HA} 4.083 0.054 0.091 ++ 0.000 {?} 66.46099 66.46099 0 {?} 0 95 {10.HB1} 1.448 0.013 0.026 ? 0.000 {?} {10.HA} 3.958 0.035 0.079 ++ 0.000 {?} 144.49043 144.49043 0 {?} 0 96 {11.HG2} 1.469 0.010 0.019 ? 0.000 {?} {11.HA} 3.962 0.047 0.079 ++ 0.000 {?} 194.75464 194.75464 0 {?} 0 97 {7.HG2} 1.362 0.038 0.058 ? 0.000 {?} {7.HA} 3.836 0.076 0.058 ++ 0.000 {?} 14.99018 14.99018 0 {?} 0 98 {7.HD1} 1.701 0.028 0.048 ? 0.000 {?} {7.HA} 3.837 0.042 0.054 ++ 0.000 {?} 26.16599 26.16599 0 {?} 0 99 {7.HB2} 1.892 0.063 0.063 ? 0.000 {?} {7.HA} 3.840 0.047 0.061 ++ 0.000 {?} 38.94941 38.94941 0 {?} 0 100 {9.HB} 1.956 0.039 0.060 ? 0.000 {?} {9.HA} 3.728 0.065 0.065 ++ 0.000 {?} 20.68597 20.68597 0 {?} 0 101 {6.HB} 1.980 0.033 0.070 ? 0.000 {?} {6.HA} 3.640 0.069 0.055 ++ 0.000 {?} 17.92040 17.92040 0 {?} 0 102 {2.HB} 1.882 0.041 0.059 ? 0.000 {?} {2.HA} 3.898 0.007 0.046 ? 0.000 {?} 21.42289 21.42289 0 {?} 0 103 {11.HB2} 1.889 0.078 0.078 ? 0.000 {?} {11.HA} 4.012 0.033 0.058 ++ 0.000 {?} 90.64062 90.64062 0 {?} 0 104 {3.HB2} 1.725 0.022 0.049 ? 0.000 {?} {3.HA} 4.067 0.048 0.068 ++ 0.000 {?} 38.64624 38.64624 0 {?} 0 105 {11.HB2} 1.684 0.022 0.027 ? 0.000 {?} {11.HA} 4.052 0.053 0.127 ? 0.000 {?} 29.41817 29.41817 0 {?} 0 106 {3.HG} 1.648 0.040 0.040 ? 0.000 {?} {3.HA} 4.068 0.059 0.055 ++ 0.000 {?} 22.78069 22.78069 0 {?} 0 107 {11.HG1} 1.569 0.013 0.020 ? 0.000 {?} {11.HA} 4.022 0.027 0.048 ++ 0.000 {?} 89.21680 89.21680 0 {?} 0 108 {11.HB2} 1.884 0.041 0.068 ? 0.000 {?} {8.HA} 4.093 0.050 0.055 ++ 0.000 {?} 26.25113 26.25113 0 {?} 0 109 {3.HD11} 0.975 0.039 0.049 ? 0.000 {?} {3.HA} 4.077 0.045 0.086 ++ 0.000 {?} 88.83311 88.83311 0 {?} 0 110 {3.HD21} 0.898 0.056 0.056 ? 0.000 {?} {3.HA} 4.073 0.036 0.073 ++ 0.000 {?} 109.45570 109.45570 0 {?} 0 111 {2.HG12} 0.965 0.028 0.054 ? 0.000 {?} {2.HA} 3.899 0.032 0.056 ++ 0.000 {?} 89.04044 89.04044 0 {?} 0 112 {9.HG12} 0.918 0.032 0.044 ? 0.000 {?} {9.HA} 3.728 0.050 0.099 ++ 0.000 {?} 96.41864 96.41864 0 {?} 0 113 {6.HG12} 0.893 0.042 0.042 ? 0.000 {?} {6.HA} 3.637 0.041 0.083 ++ 0.000 {?} 63.30100 63.30100 0 {?} 0 114 {9.HG11} 0.846 0.024 0.048 ? 0.000 {?} {9.HA} 3.735 0.043 0.077 ++ 0.000 {?} 45.52094 45.52094 0 {?} 0 115 {6.HG11} 0.835 0.032 0.065 ++ 0.000 {?} {6.HA} 3.639 0.038 0.073 ++ 0.000 {?} 49.47029 49.47029 0 {?} 0 116 {9.HN} 8.118 0.017 0.030 ? 0.000 {?} {9.HB} 1.947 0.084 0.064 ++ 0.000 {?} 11.86388 11.86388 0 {?} 0 117 {7.HE1} 2.959 0.051 0.067 ++ 0.000 {?} {7.HZ1} 7.453 0.080 0.108 ++ 0.000 {?} 36.91818 36.91818 0 {?} 0 118 {4.HB1} 2.888 0.068 0.113 ? 0.000 {?} {4.HN} 7.797 0.077 0.074 ++ 0.000 {?} 19.85611 19.85611 0 {?} 0 119 {7.HD1} 1.701 0.042 0.052 ? 0.000 {?} {7.HZ1} 7.483 0.074 0.107 ? 0.000 {?} 5.52821 5.52821 0 {?} 0 120 {5.HB1} 1.547 0.011 0.042 ? 0.000 {?} {5.HN} 7.879 0.038 0.087 ++ 0.000 {?} 33.84528 33.84528 0 {?} 0 121 {12.HB1} 1.491 0.013 0.062 ? 0.000 {?} {12.HN} 7.808 0.039 0.079 ++ 0.000 {?} 36.52570 36.52570 0 {?} 0 122 {10.HB1} 1.455 0.013 0.038 ? 0.000 {?} {10.HN} 8.403 0.036 0.077 ++ 0.000 {?} 6.99652 6.99652 0 {?} 0 123 {2.HB} 1.875 0.072 0.072 ? 0.000 {?} {2.HN} 8.785 0.040 0.067 ++ 0.000 {?} 21.81644 21.81644 0 {?} 0 124 {8.HB1} 1.545 0.011 0.042 ? 0.000 {?} {8.HN} 7.779 0.041 0.095 ++ 0.000 {?} 77.75351 77.75351 0 {?} 0 125 {13.HB1} 1.455 0.019 0.055 ? 0.000 {?} {13.HN} 7.932 0.038 0.077 ++ 0.000 {?} 49.09396 49.09396 0 {?} 0 126 {3.HB2} 1.460 0.027 0.027 ? 0.000 {?} {3.HN} 8.089 0.047 0.085 ++ 0.000 {?} 163.58420 163.58420 0 {?} 0 127 {7.HB2} 1.544 0.035 0.037 ? 0.000 {?} {7.HN} 8.211 0.050 0.078 ++ 0.000 {?} 20.56351 20.56351 0 {?} 0 128 {6.HB} 2.005 0.043 0.060 ? 0.000 {?} {6.HN} 8.212 0.055 0.077 ++ 0.000 {?} 20.98631 20.98631 0 {?} 0 129 {11.HB2} 1.954 0.024 0.056 ? 0.000 {?} {11.HN} 8.116 0.056 0.063 ++ 0.000 {?} 18.18552 18.18552 0 {?} 0 130 {3.HB1} 1.885 0.021 0.091 ? 0.000 {?} {3.HN} 8.095 0.038 0.091 ++ 0.000 {?} 22.72792 22.72792 0 {?} 0 131 {9.HB} 1.956 0.038 0.065 ? 0.000 {?} {10.HN} 8.403 0.073 0.061 ++ 0.000 {?} 17.54323 17.54323 0 {?} 0 132 {3.HB1} 1.875 0.030 0.051 ? 0.000 {?} {6.HN} 8.223 0.064 0.062 ++ 0.000 {?} 17.02018 17.02018 0 {?} 0 133 {4.HB1} 2.886 0.080 0.109 ? 0.000 {?} {5.HN} 7.883 0.084 0.056 ++ 0.000 {?} 12.04077 12.04077 0 {?} 0 134 {5.HN} 7.885 0.036 0.043 ++ 0.000 {?} {4.HB1} 2.874 0.128 0.137 ++ 0.000 {?} 21.65105 21.65105 0 {?} 0 135 {3.HA} 4.074 0.020 0.048 ? 0.000 {?} {6.HB} 2.003 0.048 0.053 ++ 0.000 {?} 20.71896 20.71896 0 {?} 0 136 {6.HB} 2.004 0.046 0.046 ? 0.000 {?} {3.HA} 4.067 0.065 0.050 ++ 0.000 {?} 14.45651 14.45651 0 {?} 0 137 {5.HA} 4.170 0.028 0.047 ? 0.000 {?} {8.HB1} 1.509 0.032 0.069 ? 0.000 {?} 61.80879 61.80879 0 {?} 0 138 {8.HB1} 1.538 0.012 0.021 ? 0.000 {?} {5.HA} 4.194 0.047 0.088 ++ 0.000 {?} 190.83209 190.83209 0 {?} 0 139 {7.HA} 3.848 0.041 0.041 ? 0.000 {?} {10.HB1} 1.452 0.040 0.074 ++ 0.000 {?} 54.52488 54.52488 0 {?} 0 140 {10.HB1} 1.458 0.025 0.036 ? 0.000 {?} {7.HA} 3.858 0.022 0.082 ? 0.000 {?} 41.19165 41.19165 0 {?} 0 141 {8.HA} 4.097 0.023 0.055 ? 0.000 {?} {11.HB2} 1.881 0.048 0.079 ++ 0.000 {?} 37.52077 37.52077 0 {?} 0 142 {9.HA} 3.730 0.032 0.052 ? 0.000 {?} {12.HB1} 1.504 0.045 0.079 ++ 0.000 {?} 53.76137 53.76137 0 {?} 0 143 {12.HB1} 1.510 0.030 0.063 ? 0.000 {?} {9.HA} 3.724 0.043 0.073 ++ 0.000 {?} 101.23315 101.23315 0 {?} 0 144 {10.HA} 3.936 0.011 0.023 ? 0.000 {?} {13.HB1} 1.451 0.030 0.056 ++ 0.000 {?} 236.83731 236.83731 0 {?} 0 145 {3.HB1} 1.886 0.066 0.066 ? 0.000 {?} {4.HN} 7.802 0.093 0.101 ++ 0.000 {?} 30.31343 30.31343 0 {?} 0 146 {7.HD1} 1.704 0.060 0.084 ? 0.000 {?} {8.HN} 7.792 0.109 0.073 ++ 0.000 {?} 21.23540 21.23540 0 {?} 0 147 {?5.HB1} 1.539 0.015 0.029 ? 0.000 {?} {?3.HN} 8.104 0.087 0.096 ++ 0.000 {?} 32.05450 32.05450 0 {?} 0 148 {?12.HB1} 1.497 0.015 0.040 ? 0.000 {?} {?11.HN} 8.087 0.051 0.078 ++ 0.000 {?} 48.39705 48.39705 0 {?} 0 149 {6.HA} 3.636 0.021 0.023 ? 0.000 {?} {6.HB} 1.972 0.089 0.094 ++ 0.000 {?} 24.34603 24.34603 0 {?} 0 150 {9.HA} 3.730 0.044 0.053 ? 0.000 {?} {9.HB} 1.955 0.072 0.080 ++ 0.000 {?} 24.05913 24.05913 0 {?} 0 151 {7.HA} 3.847 0.044 0.055 ? 0.000 {?} {7.HB2} 1.875 0.062 0.111 ++ 0.000 {?} 87.62682 87.62682 0 {?} 0 152 {2.HA} 3.908 0.026 0.042 ++ 0.000 {?} {2.HB} 1.879 0.049 0.084 ++ 0.000 {?} 80.58525 80.58525 0 {?} 0 153 {11.HA} 4.016 0.032 0.063 ++ 0.000 {?} {11.HB2} 1.881 0.051 0.100 ++ 0.000 {?} 123.15112 123.15112 0 {?} 0 154 {7.HA} 3.845 0.028 0.042 ? 0.000 {?} {7.HB1} 1.695 0.059 0.084 ++ 0.000 {?} 21.49516 21.49516 0 {?} 0 155 {3.HA} 4.079 0.034 0.047 ? 0.000 {?} {3.HB2} 1.719 0.044 0.079 ++ 0.000 {?} 37.15389 37.15389 0 {?} 0 156 {2.HA} 3.909 0.030 0.030 ++ 0.000 {?} {2.HG12} 1.633 0.079 0.058 ++ 0.000 {?} 17.95458 17.95458 0 {?} 0 157 {10.HA} 3.965 0.019 0.040 ? 0.000 {?} {10.HB1} 1.453 0.043 0.079 ++ 0.000 {?} 53.77489 53.77489 0 {?} 0 158 {8.HA} 4.106 0.022 0.047 ? 0.000 {?} {8.HB1} 1.521 0.043 0.080 ++ 0.000 {?} 47.58437 47.58437 0 {?} 0 159 {12.HA} 4.213 0.025 0.044 ? 0.000 {?} {12.HB1} 1.493 0.044 0.067 ++ 0.000 {?} 49.38354 49.38354 0 {?} 0 160 {5.HA} 4.172 0.023 0.040 ? 0.000 {?} {5.HB1} 1.445 0.022 0.047 ? 0.000 {?} 21.24323 21.24323 0 {?} 0 161 {11.HA} 4.007 0.021 0.049 ? 0.000 {?} {11.HD1} 1.452 0.042 0.062 ++ 0.000 {?} 45.28529 45.28529 0 {?} 0 162 {7.HA} 3.846 0.026 0.057 ? 0.000 {?} {7.HG2} 1.352 0.051 0.068 ++ 0.000 {?} 37.23848 37.23848 0 {?} 0 163 {2.HA} 3.905 0.029 0.029 ? 0.000 {?} {2.HG11} 1.253 0.093 0.055 ? 0.000 {?} 18.03056 18.03056 0 {?} 0 164 {?6.HA} 3.649 0.052 0.052 ? 0.000 {?} {?7.HB2} 1.860 0.073 0.081 ? 0.000 {?} 28.85553 28.85553 1 {?} 0 165 {3.HA} 4.076 0.049 0.049 ? 0.000 {?} {3.HD11} 0.970 0.050 0.066 ++ 0.000 {?} 26.52936 26.52936 0 {?} 0 166 {2.HA} 3.909 0.042 0.052 ? 0.000 {?} {2.HD11} 0.958 0.040 0.073 ++ 0.000 {?} 96.16709 96.16709 0 {?} 0 167 {9.HA} 3.732 0.075 0.084 ? 0.000 {?} {9.HG12} 0.895 0.031 0.067 ++ 0.000 {?} 96.83868 96.83868 0 {?} 0 168 {6.HA} 3.646 0.048 0.068 ? 0.000 {?} {6.HG12} 0.888 0.065 0.081 ? 0.000 {?} 52.21444 52.21444 0 {?} 0 169 {?3.HA} 4.077 0.038 0.064 ? 0.000 {?} {?6.HG12} 0.899 0.041 0.057 ++ 0.000 {?} 41.16022 41.16022 1 {?} 0 170 {4.HA} 4.309 0.041 0.041 ? 0.000 {?} {4.HB1} 2.853 0.104 0.104 ++ 0.000 {?} 13.26950 13.26950 0 {?} 0 171 {6.HG12} 1.867 0.031 0.057 ++ 0.000 {?} {6.HG11} 0.830 0.024 0.045 ++ 0.000 {?} 46.91870 46.91870 0 {?} 0 172 {6.HB} 1.980 0.053 0.072 ? 0.000 {?} {6.HG12} 0.826 0.036 0.048 ++ 0.000 {?} 10.19467 10.19467 0 {?} 0 173 {6.HG12} 0.818 0.030 0.052 ? 0.000 {?} {6.HB} 1.991 0.052 0.100 ++ 0.000 {?} 27.93658 27.93658 0 {?} 0 174 {6.HG11} 0.833 0.027 0.044 ++ 0.000 {?} {6.HG12} 1.864 0.042 0.089 ++ 0.000 {?} 113.69632 113.69632 0 {?} 0 175 {6.HG12} 1.118 0.048 0.048 ? 0.000 {?} {6.HD11} 0.829 0.026 0.050 ++ 0.000 {?} 37.13002 37.13002 0 {?} 0 176 {6.HD11} 0.831 0.021 0.062 ? 0.000 {?} {6.HG12} 1.105 0.023 0.045 ++ 0.000 {?} 42.67757 42.67757 0 {?} 0 177 {5.HN} 7.887 0.018 0.030 ? 0.000 {?} {2.HA} 3.900 0.046 0.056 ++ 0.000 {?} 21.14213 21.14213 0 {?} 0 178 {4.HN} 7.782 0.021 0.021 ? 0.000 {?} {3.HB1} 1.879 0.041 0.059 ++ 0.000 {?} 27.58312 27.58312 0 {?} 0 179 {2.HN} 8.788 0.021 0.041 ++ 0.000 {?} {1.HA2} 3.994 0.033 0.069 ? 0.000 {?} 18.18932 18.18932 0 {?} 0 180 {2.HN} 8.787 0.037 0.046 ++ 0.000 {?} {1.HA1} 4.128 0.070 0.096 ++ 0.000 {?} 28.57767 28.57767 0 {?} 0 181 {9.HN} 8.105 0.021 0.028 ++ 0.000 {?} {8.HA} 4.102 0.038 0.065 ? 0.000 {?} 25.07659 25.07659 0 {?} 0 182 {9.HN} 8.110 0.009 0.009 ? 0.000 {?} {7.HA} 3.844 0.051 0.049 ++ 0.000 {?} 11.07712 11.07712 0 {?} 0 183 {7.HB2} 1.882 0.061 0.061 ? 0.000 {?} {4.HA} 4.307 0.035 0.046 ++ 0.000 {?} 17.39914 17.39914 0 {?} 0 184 {?} 8.406 0.017 0.017 ++ 0.000 {?} {?} 1.876 0.055 0.052 ? 0.000 {?} 0.00000 13.97841 -1 {?} 0 185 {4.HN} 7.800 0.015 0.024 ++ 0.000 {?} {3.HA} 4.076 0.025 0.041 ++ 0.000 {?} 16.99333 16.99333 0 {?} 0 186 {7.HN} 8.229 0.010 0.010 ? 0.000 {?} {3.HA} 4.077 0.021 0.019 ++ 0.000 {?} 10.81319 10.81319 0 {?} 0 187 {7.HN} 8.229 0.016 0.016 ? 0.000 {?} {4.HA} 4.311 0.022 0.012 ? 0.000 {?} 9.73858 9.73858 0 {?} 0 188 {6.HN} 8.207 0.009 0.009 ? 0.000 {?} {5.HA} 4.187 0.085 0.036 ++ 0.000 {?} 10.77101 10.77101 0 {?} 0 189 {8.HN} 7.775 0.022 0.022 ? 0.000 {?} {5.HA} 4.199 0.062 0.038 ++ 0.000 {?} 11.57429 11.57429 0 {?} 0 190 {9.HN} 8.116 0.008 0.019 ++ 0.000 {?} {5.HA} 4.182 0.029 0.057 ++ 0.000 {?} 16.45118 16.45118 0 {?} 0 191 {7.HN} 8.239 0.013 0.024 ++ 0.000 {?} {6.HB} 2.007 0.044 0.069 ++ 0.000 {?} 12.47112 12.47112 0 {?} 0 192 {6.HA} 3.659 0.020 0.027 ? 0.000 {?} {9.HB} 1.970 0.071 0.089 ++ 0.000 {?} 31.85396 31.85396 0 {?} 0 193 {9.HN} 8.122 0.010 0.023 ? 0.000 {?} {8.HN} 7.798 0.039 0.081 ++ 0.000 {?} 10.32784 10.32784 0 {?} 0 194 {8.HN} 7.775 0.008 0.015 ? 0.000 {?} {9.HN} 8.114 0.024 0.019 ++ 0.000 {?} 5.54053 5.54053 0 {?} 0 195 {9.HN} 8.112 0.028 0.060 ? 0.000 {?} {8.HB1} 1.539 0.029 0.066 ++ 0.000 {?} 30.06472 30.06472 0 {?} 0 196 {12.HN} 7.818 0.009 0.024 ++ 0.000 {?} {8.HA} 4.097 0.011 0.047 ? 0.000 {?} 9.43073 9.43073 0 {?} 0 197 {13.HN} 8.085 0.015 0.015 ? 0.000 {?} {9.HA} 3.727 0.036 0.054 ++ 0.000 {?} 10.19084 10.19084 0 {?} 0 198 {11.HN} 8.102 0.014 0.048 ? 0.000 {?} {10.HA} 3.945 0.025 0.037 ++ 0.000 {?} 34.29921 34.29921 0 {?} 0 199 {10.HN} 8.401 0.008 0.015 ++ 0.000 {?} {11.HN} 8.106 0.039 0.076 ++ 0.000 {?} 19.50153 19.50153 0 {?} 0 200 {11.HN} 8.098 0.009 0.014 ++ 0.000 {?} {10.HN} 8.403 0.043 0.070 ++ 0.000 {?} 22.74261 22.74261 0 {?} 0 201 {14.HN} 7.947 0.040 0.042 ? 0.000 {?} {10.HA} 3.953 0.020 0.035 ? 0.000 {?} 14.99779 14.99779 0 {?} 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H 2 . 6900 Hz . . . 4.78 . . c30744_6wpb 1 2 . . H 1 H 1 . 6900 Hz . . . 4.78 . . c30744_6wpb 1 stop_ save_ save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID c30744_6wpb _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 10 save_ save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID c30744_6wpb _Conformer_family_coord_set.ID 1 loop_ _Conformer_family_refinement.Refine_method _Conformer_family_refinement.Refine_details _Conformer_family_refinement.Software_ID _Conformer_family_refinement.Software_label _Conformer_family_refinement.Entry_ID _Conformer_family_refinement.Conformer_family_coord_set_ID 1 . . . c30744_6wpb 1 stop_ loop_ _Conformer_family_software.Software_ID _Conformer_family_software.Software_label _Conformer_family_software.Method_ID _Conformer_family_software.Method_label _Conformer_family_software.Entry_ID _Conformer_family_software.Conformer_family_coord_set_ID . . . . c30744_6wpb 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 GLY C C 6.717 7.915 -9.114 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30744_6wpb 1 . 1 . 2 . 1 1 1 GLY CA C 5.295 8.363 -9.412 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30744_6wpb 1 . 1 . 3 . 1 1 1 GLY H1 H 3.706 7.670 -8.257 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30744_6wpb 1 . 1 . 4 . 1 1 1 GLY H2 H 4.884 6.493 -8.594 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c30744_6wpb 1 . 1 . 5 . 1 1 1 GLY H3 H 3.792 6.976 -9.801 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c30744_6wpb 1 . 1 . 6 . 1 1 1 GLY HA2 H 5.187 8.529 -10.476 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30744_6wpb 1 . 1 . 7 . 1 1 1 GLY HA3 H 5.084 9.277 -8.879 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30744_6wpb 1 . 1 . 8 . 1 1 1 GLY N N 4.347 7.296 -8.984 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30744_6wpb 1 . 1 . 9 . 1 1 1 GLY O O 7.029 7.487 -8.003 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30744_6wpb 1 . 1 . 10 . 1 1 2 ILE C C 9.676 8.456 -8.948 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . c30744_6wpb 1 . 1 . 11 . 1 1 2 ILE CA C 8.962 7.604 -9.989 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . c30744_6wpb 1 . 1 . 12 . 1 1 2 ILE CB C 9.645 7.738 -11.358 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . c30744_6wpb 1 . 1 . 13 . 1 1 2 ILE CD1 C 9.832 5.336 -12.179 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 1 . 14 . 1 1 2 ILE CG1 C 9.080 6.669 -12.325 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 1 . 15 . 1 1 2 ILE CG2 C 11.169 7.594 -11.221 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 1 . 16 . 1 1 2 ILE H H 7.253 8.356 -10.984 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . c30744_6wpb 1 . 1 . 17 . 1 1 2 ILE HA H 8.995 6.578 -9.683 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . c30744_6wpb 1 . 1 . 18 . 1 1 2 ILE HB H 9.425 8.716 -11.750 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . c30744_6wpb 1 . 1 . 19 . 1 1 2 ILE HD11 H 9.214 4.533 -12.553 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 1 . 20 . 1 1 2 ILE HD12 H 10.062 5.157 -11.142 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 1 . 21 . 1 1 2 ILE HD13 H 10.748 5.378 -12.748 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 1 . 22 . 1 1 2 ILE HG12 H 8.033 6.507 -12.108 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 1 . 23 . 1 1 2 ILE HG13 H 9.176 7.021 -13.342 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 1 . 24 . 1 1 2 ILE HG21 H 11.397 6.783 -10.548 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 1 . 25 . 1 1 2 ILE HG22 H 11.586 8.512 -10.834 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 1 . 26 . 1 1 2 ILE HG23 H 11.599 7.387 -12.192 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 1 . 27 . 1 1 2 ILE N N 7.569 8.011 -10.123 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . c30744_6wpb 1 . 1 . 28 . 1 1 2 ILE O O 10.422 7.943 -8.117 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . c30744_6wpb 1 . 1 . 29 . 1 1 3 LEU C C 9.620 10.386 -6.629 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c30744_6wpb 1 . 1 . 30 . 1 1 3 LEU CA C 10.052 10.683 -8.062 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c30744_6wpb 1 . 1 . 31 . 1 1 3 LEU CB C 9.642 12.106 -8.450 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c30744_6wpb 1 . 1 . 32 . 1 1 3 LEU CD1 C 9.747 13.627 -10.439 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c30744_6wpb 1 . 1 . 33 . 1 1 3 LEU CD2 C 11.809 13.220 -9.109 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c30744_6wpb 1 . 1 . 34 . 1 1 3 LEU CG C 10.511 12.588 -9.630 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c30744_6wpb 1 . 1 . 35 . 1 1 3 LEU H H 8.825 10.099 -9.684 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c30744_6wpb 1 . 1 . 36 . 1 1 3 LEU HA H 11.121 10.597 -8.136 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c30744_6wpb 1 . 1 . 37 . 1 1 3 LEU HB2 H 8.599 12.101 -8.743 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c30744_6wpb 1 . 1 . 38 . 1 1 3 LEU HB3 H 9.770 12.770 -7.606 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c30744_6wpb 1 . 1 . 39 . 1 1 3 LEU HD11 H 9.342 14.372 -9.773 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c30744_6wpb 1 . 1 . 40 . 1 1 3 LEU HD12 H 8.944 13.140 -10.970 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c30744_6wpb 1 . 1 . 41 . 1 1 3 LEU HD13 H 10.416 14.094 -11.143 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c30744_6wpb 1 . 1 . 42 . 1 1 3 LEU HD21 H 12.405 12.470 -8.611 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c30744_6wpb 1 . 1 . 43 . 1 1 3 LEU HD22 H 11.573 14.010 -8.411 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c30744_6wpb 1 . 1 . 44 . 1 1 3 LEU HD23 H 12.366 13.629 -9.937 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c30744_6wpb 1 . 1 . 45 . 1 1 3 LEU HG H 10.751 11.751 -10.272 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c30744_6wpb 1 . 1 . 46 . 1 1 3 LEU N N 9.435 9.754 -9.000 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c30744_6wpb 1 . 1 . 47 . 1 1 3 LEU O O 10.434 10.399 -5.705 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c30744_6wpb 1 . 1 . 48 . 1 1 4 ASP C C 8.369 8.549 -4.574 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30744_6wpb 1 . 1 . 49 . 1 1 4 ASP CA C 7.766 9.827 -5.150 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30744_6wpb 1 . 1 . 50 . 1 1 4 ASP CB C 6.252 9.671 -5.287 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30744_6wpb 1 . 1 . 51 . 1 1 4 ASP CG C 5.579 9.678 -3.919 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30744_6wpb 1 . 1 . 52 . 1 1 4 ASP H H 7.740 10.129 -7.243 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30744_6wpb 1 . 1 . 53 . 1 1 4 ASP HA H 7.970 10.644 -4.484 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30744_6wpb 1 . 1 . 54 . 1 1 4 ASP HB2 H 5.862 10.485 -5.879 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30744_6wpb 1 . 1 . 55 . 1 1 4 ASP HB3 H 6.040 8.741 -5.782 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30744_6wpb 1 . 1 . 56 . 1 1 4 ASP N N 8.331 10.123 -6.462 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30744_6wpb 1 . 1 . 57 . 1 1 4 ASP O O 8.679 8.475 -3.384 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30744_6wpb 1 . 1 . 58 . 1 1 4 ASP OD1 O 4.474 9.164 -3.821 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30744_6wpb 1 . 1 . 59 . 1 1 4 ASP OD2 O 6.171 10.201 -2.992 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30744_6wpb 1 . 1 . 60 . 1 1 5 ALA C C 10.530 6.410 -4.575 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c30744_6wpb 1 . 1 . 61 . 1 1 5 ALA CA C 9.081 6.263 -5.029 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c30744_6wpb 1 . 1 . 62 . 1 1 5 ALA CB C 9.017 5.288 -6.211 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c30744_6wpb 1 . 1 . 63 . 1 1 5 ALA H H 8.255 7.680 -6.368 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c30744_6wpb 1 . 1 . 64 . 1 1 5 ALA HA H 8.494 5.865 -4.216 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c30744_6wpb 1 . 1 . 65 . 1 1 5 ALA HB1 H 7.994 5.197 -6.551 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 1 . 66 . 1 1 5 ALA HB2 H 9.379 4.319 -5.903 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 1 . 67 . 1 1 5 ALA HB3 H 9.630 5.660 -7.020 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 1 . 68 . 1 1 5 ALA N N 8.525 7.550 -5.436 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c30744_6wpb 1 . 1 . 69 . 1 1 5 ALA O O 10.932 5.851 -3.558 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c30744_6wpb 1 . 1 . 70 . 1 1 6 ILE C C 12.880 8.111 -3.699 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c30744_6wpb 1 . 1 . 71 . 1 1 6 ILE CA C 12.713 7.392 -5.032 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c30744_6wpb 1 . 1 . 72 . 1 1 6 ILE CB C 13.326 8.229 -6.159 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c30744_6wpb 1 . 1 . 73 . 1 1 6 ILE CD1 C 13.635 8.281 -8.634 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 1 . 74 . 1 1 6 ILE CG1 C 13.367 7.382 -7.429 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 1 . 75 . 1 1 6 ILE CG2 C 14.749 8.667 -5.792 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 1 . 76 . 1 1 6 ILE H H 10.915 7.585 -6.137 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c30744_6wpb 1 . 1 . 77 . 1 1 6 ILE HA H 13.221 6.442 -4.987 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c30744_6wpb 1 . 1 . 78 . 1 1 6 ILE HB H 12.715 9.103 -6.329 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c30744_6wpb 1 . 1 . 79 . 1 1 6 ILE HD11 H 12.822 8.981 -8.747 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 1 . 80 . 1 1 6 ILE HD12 H 13.714 7.674 -9.524 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 1 . 81 . 1 1 6 ILE HD13 H 14.558 8.820 -8.483 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 1 . 82 . 1 1 6 ILE HG12 H 14.154 6.648 -7.344 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 1 . 83 . 1 1 6 ILE HG13 H 12.421 6.880 -7.561 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 1 . 84 . 1 1 6 ILE HG21 H 15.310 7.814 -5.443 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 1 . 85 . 1 1 6 ILE HG22 H 14.707 9.415 -5.013 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 1 . 86 . 1 1 6 ILE HG23 H 15.232 9.084 -6.664 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 1 . 87 . 1 1 6 ILE N N 11.302 7.167 -5.339 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c30744_6wpb 1 . 1 . 88 . 1 1 6 ILE O O 13.752 7.771 -2.901 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c30744_6wpb 1 . 1 . 89 . 1 1 7 LYS C C 11.877 9.030 -1.026 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30744_6wpb 1 . 1 . 90 . 1 1 7 LYS CA C 12.091 9.903 -2.260 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30744_6wpb 1 . 1 . 91 . 1 1 7 LYS CB C 10.993 10.970 -2.355 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30744_6wpb 1 . 1 . 92 . 1 1 7 LYS CD C 10.204 11.514 -0.003 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30744_6wpb 1 . 1 . 93 . 1 1 7 LYS CE C 10.020 12.683 0.969 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30744_6wpb 1 . 1 . 94 . 1 1 7 LYS CG C 11.077 11.970 -1.183 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30744_6wpb 1 . 1 . 95 . 1 1 7 LYS H H 11.379 9.331 -4.168 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30744_6wpb 1 . 1 . 96 . 1 1 7 LYS HA H 13.046 10.393 -2.184 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30744_6wpb 1 . 1 . 97 . 1 1 7 LYS HB2 H 11.111 11.508 -3.286 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30744_6wpb 1 . 1 . 98 . 1 1 7 LYS HB3 H 10.030 10.484 -2.357 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30744_6wpb 1 . 1 . 99 . 1 1 7 LYS HD2 H 9.233 11.199 -0.362 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30744_6wpb 1 . 1 . 100 . 1 1 7 LYS HD3 H 10.685 10.697 0.505 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30744_6wpb 1 . 1 . 101 . 1 1 7 LYS HE2 H 9.711 12.309 1.933 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30744_6wpb 1 . 1 . 102 . 1 1 7 LYS HE3 H 10.950 13.224 1.072 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30744_6wpb 1 . 1 . 103 . 1 1 7 LYS HG2 H 12.102 12.053 -0.850 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30744_6wpb 1 . 1 . 104 . 1 1 7 LYS HG3 H 10.737 12.940 -1.518 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30744_6wpb 1 . 1 . 105 . 1 1 7 LYS HZ1 H 8.705 13.283 -0.528 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30744_6wpb 1 . 1 . 106 . 1 1 7 LYS HZ2 H 9.348 14.566 0.382 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30744_6wpb 1 . 1 . 107 . 1 1 7 LYS HZ3 H 8.140 13.572 1.044 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30744_6wpb 1 . 1 . 108 . 1 1 7 LYS N N 12.044 9.111 -3.482 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30744_6wpb 1 . 1 . 109 . 1 1 7 LYS NZ N 8.975 13.596 0.427 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30744_6wpb 1 . 1 . 110 . 1 1 7 LYS O O 12.633 9.113 -0.053 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30744_6wpb 1 . 1 . 111 . 1 1 8 ALA C C 11.634 6.302 0.280 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . c30744_6wpb 1 . 1 . 112 . 1 1 8 ALA CA C 10.518 7.313 0.040 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . c30744_6wpb 1 . 1 . 113 . 1 1 8 ALA CB C 9.211 6.570 -0.265 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . c30744_6wpb 1 . 1 . 114 . 1 1 8 ALA H H 10.281 8.182 -1.879 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . c30744_6wpb 1 . 1 . 115 . 1 1 8 ALA HA H 10.384 7.904 0.929 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . c30744_6wpb 1 . 1 . 116 . 1 1 8 ALA HB1 H 9.230 6.213 -1.284 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 1 . 117 . 1 1 8 ALA HB2 H 8.376 7.244 -0.137 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 1 . 118 . 1 1 8 ALA HB3 H 9.102 5.732 0.408 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 1 . 119 . 1 1 8 ALA N N 10.843 8.198 -1.076 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . c30744_6wpb 1 . 1 . 120 . 1 1 8 ALA O O 12.019 6.035 1.418 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . c30744_6wpb 1 . 1 . 121 . 1 1 9 ILE C C 14.486 5.369 -0.167 . . . 1.0 . . . . . . . . . . . . A . 9 ILE C . . . . . . . . . c30744_6wpb 1 . 1 . 122 . 1 1 9 ILE CA C 13.215 4.764 -0.755 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CA . . . . . . . . . c30744_6wpb 1 . 1 . 123 . 1 1 9 ILE CB C 13.476 4.253 -2.176 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CB . . . . . . . . . c30744_6wpb 1 . 1 . 124 . 1 1 9 ILE CD1 C 12.327 3.220 -4.141 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 1 . 125 . 1 1 9 ILE CG1 C 12.275 3.417 -2.627 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 1 . 126 . 1 1 9 ILE CG2 C 14.741 3.390 -2.216 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 1 . 127 . 1 1 9 ILE H H 11.784 6.019 -1.679 . . . 1.0 . . . . . . . . . . . . A . 9 ILE H . . . . . . . . . c30744_6wpb 1 . 1 . 128 . 1 1 9 ILE HA H 12.902 3.936 -0.139 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HA . . . . . . . . . c30744_6wpb 1 . 1 . 129 . 1 1 9 ILE HB H 13.595 5.095 -2.841 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HB . . . . . . . . . c30744_6wpb 1 . 1 . 130 . 1 1 9 ILE HD11 H 12.370 4.184 -4.627 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 1 . 131 . 1 1 9 ILE HD12 H 11.443 2.692 -4.465 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 1 . 132 . 1 1 9 ILE HD13 H 13.205 2.648 -4.399 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 1 . 133 . 1 1 9 ILE HG12 H 12.308 2.454 -2.138 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 1 . 134 . 1 1 9 ILE HG13 H 11.360 3.921 -2.360 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 1 . 135 . 1 1 9 ILE HG21 H 14.801 2.885 -3.171 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 1 . 136 . 1 1 9 ILE HG22 H 14.705 2.658 -1.425 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 1 . 137 . 1 1 9 ILE HG23 H 15.611 4.018 -2.089 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 1 . 138 . 1 1 9 ILE N N 12.142 5.752 -0.808 . . . 1.0 . . . . . . . . . . . . A . 9 ILE N . . . . . . . . . c30744_6wpb 1 . 1 . 139 . 1 1 9 ILE O O 15.165 4.744 0.646 . . . 1.0 . . . . . . . . . . . . A . 9 ILE O . . . . . . . . . c30744_6wpb 1 . 1 . 140 . 1 1 10 ALA C C 16.002 7.383 1.396 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c30744_6wpb 1 . 1 . 141 . 1 1 10 ALA CA C 15.993 7.279 -0.124 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c30744_6wpb 1 . 1 . 142 . 1 1 10 ALA CB C 16.026 8.686 -0.728 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c30744_6wpb 1 . 1 . 143 . 1 1 10 ALA H H 14.216 7.026 -1.247 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c30744_6wpb 1 . 1 . 144 . 1 1 10 ALA HA H 16.864 6.739 -0.445 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c30744_6wpb 1 . 1 . 145 . 1 1 10 ALA HB1 H 15.163 9.243 -0.389 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 1 . 146 . 1 1 10 ALA HB2 H 16.005 8.617 -1.806 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 1 . 147 . 1 1 10 ALA HB3 H 16.926 9.195 -0.416 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 1 . 148 . 1 1 10 ALA N N 14.797 6.586 -0.595 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c30744_6wpb 1 . 1 . 149 . 1 1 10 ALA O O 16.980 7.021 2.051 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c30744_6wpb 1 . 1 . 150 . 1 1 11 LYS C C 14.800 6.674 4.093 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c30744_6wpb 1 . 1 . 151 . 1 1 11 LYS CA C 14.772 8.021 3.387 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c30744_6wpb 1 . 1 . 152 . 1 1 11 LYS CB C 13.492 8.754 3.697 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c30744_6wpb 1 . 1 . 153 . 1 1 11 LYS CD C 12.420 10.964 3.702 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c30744_6wpb 1 . 1 . 154 . 1 1 11 LYS CE C 12.596 12.456 3.424 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c30744_6wpb 1 . 1 . 155 . 1 1 11 LYS CG C 13.658 10.215 3.287 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c30744_6wpb 1 . 1 . 156 . 1 1 11 LYS H H 14.157 8.133 1.362 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c30744_6wpb 1 . 1 . 157 . 1 1 11 LYS HA H 15.576 8.615 3.750 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c30744_6wpb 1 . 1 . 158 . 1 1 11 LYS HB2 H 12.693 8.312 3.138 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c30744_6wpb 1 . 1 . 159 . 1 1 11 LYS HB3 H 13.278 8.695 4.753 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c30744_6wpb 1 . 1 . 160 . 1 1 11 LYS HD2 H 11.567 10.584 3.157 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c30744_6wpb 1 . 1 . 161 . 1 1 11 LYS HD3 H 12.281 10.805 4.755 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c30744_6wpb 1 . 1 . 162 . 1 1 11 LYS HE2 H 13.428 12.833 4.002 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c30744_6wpb 1 . 1 . 163 . 1 1 11 LYS HE3 H 12.789 12.609 2.373 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c30744_6wpb 1 . 1 . 164 . 1 1 11 LYS HG2 H 14.520 10.641 3.784 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c30744_6wpb 1 . 1 . 165 . 1 1 11 LYS HG3 H 13.784 10.283 2.217 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c30744_6wpb 1 . 1 . 166 . 1 1 11 LYS HZ1 H 11.437 13.502 4.801 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c30744_6wpb 1 . 1 . 167 . 1 1 11 LYS HZ2 H 10.538 12.538 3.728 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c30744_6wpb 1 . 1 . 168 . 1 1 11 LYS HZ3 H 11.219 14.001 3.195 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c30744_6wpb 1 . 1 . 169 . 1 1 11 LYS N N 14.903 7.872 1.943 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c30744_6wpb 1 . 1 . 170 . 1 1 11 LYS NZ N 11.355 13.180 3.817 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c30744_6wpb 1 . 1 . 171 . 1 1 11 LYS O O 15.411 6.524 5.153 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c30744_6wpb 1 . 1 . 172 . 1 1 12 ALA C C 15.462 3.731 4.094 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c30744_6wpb 1 . 1 . 173 . 1 1 12 ALA CA C 14.074 4.356 4.044 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c30744_6wpb 1 . 1 . 174 . 1 1 12 ALA CB C 13.157 3.497 3.169 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c30744_6wpb 1 . 1 . 175 . 1 1 12 ALA H H 13.679 5.897 2.648 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c30744_6wpb 1 . 1 . 176 . 1 1 12 ALA HA H 13.669 4.400 5.041 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c30744_6wpb 1 . 1 . 177 . 1 1 12 ALA HB1 H 12.228 4.021 2.997 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 1 . 178 . 1 1 12 ALA HB2 H 12.954 2.559 3.664 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 1 . 179 . 1 1 12 ALA HB3 H 13.641 3.306 2.221 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 1 . 180 . 1 1 12 ALA N N 14.137 5.703 3.491 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c30744_6wpb 1 . 1 . 181 . 1 1 12 ALA O O 15.825 3.063 5.064 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c30744_6wpb 1 . 1 . 182 . 1 1 13 ALA C C 18.490 3.994 4.006 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c30744_6wpb 1 . 1 . 183 . 1 1 13 ALA CA C 17.578 3.414 2.931 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c30744_6wpb 1 . 1 . 184 . 1 1 13 ALA CB C 18.152 3.736 1.548 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c30744_6wpb 1 . 1 . 185 . 1 1 13 ALA H H 15.869 4.490 2.301 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c30744_6wpb 1 . 1 . 186 . 1 1 13 ALA HA H 17.540 2.347 3.048 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c30744_6wpb 1 . 1 . 187 . 1 1 13 ALA HB1 H 19.141 3.310 1.458 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 1 . 188 . 1 1 13 ALA HB2 H 18.209 4.807 1.423 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 1 . 189 . 1 1 13 ALA HB3 H 17.510 3.319 0.787 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 1 . 190 . 1 1 13 ALA N N 16.226 3.953 3.034 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c30744_6wpb 1 . 1 . 191 . 1 1 13 ALA O O 19.322 3.286 4.575 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c30744_6wpb 1 . 1 . 192 . 1 1 14 GLY C C 20.631 5.837 4.938 . . . 1.0 . . . . . . . . . . . . A . 14 GLY C . . . . . . . . . c30744_6wpb 1 . 1 . 193 . 1 1 14 GLY CA C 19.150 5.952 5.280 . . . 1.0 . . . . . . . . . . . . A . 14 GLY CA . . . . . . . . . c30744_6wpb 1 . 1 . 194 . 1 1 14 GLY H H 17.655 5.790 3.782 . . . 1.0 . . . . . . . . . . . . A . 14 GLY H . . . . . . . . . c30744_6wpb 1 . 1 . 195 . 1 1 14 GLY HA2 H 18.874 6.995 5.325 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA2 . . . . . . . . . c30744_6wpb 1 . 1 . 196 . 1 1 14 GLY HA3 H 18.975 5.497 6.244 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA3 . . . . . . . . . c30744_6wpb 1 . 1 . 197 . 1 1 14 GLY N N 18.331 5.281 4.274 . . . 1.0 . . . . . . . . . . . . A . 14 GLY N . . . . . . . . . c30744_6wpb 1 . 1 . 198 . 1 1 14 GLY O O 20.991 5.680 3.771 . . . 1.0 . . . . . . . . . . . . A . 14 GLY O . . . . . . . . . c30744_6wpb 1 . 1 . 199 . 1 1 15 NH2 HN1 H 21.233 6.030 6.820 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30744_6wpb 1 . 1 . 200 . 1 1 15 NH2 HN2 H 22.472 5.825 5.678 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c30744_6wpb 1 . 1 . 201 . 1 1 15 NH2 N N 21.518 5.905 5.891 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30744_6wpb 1 . 2 . 202 . 1 1 1 GLY C C 6.533 8.334 -9.072 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30744_6wpb 1 . 2 . 203 . 1 1 1 GLY CA C 5.155 8.945 -9.269 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30744_6wpb 1 . 2 . 204 . 1 1 1 GLY H1 H 5.090 11.025 -9.251 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30744_6wpb 1 . 2 . 205 . 1 1 1 GLY H2 H 5.890 10.345 -7.915 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c30744_6wpb 1 . 2 . 206 . 1 1 1 GLY H3 H 4.194 10.295 -8.011 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c30744_6wpb 1 . 2 . 207 . 1 1 1 GLY HA2 H 4.404 8.276 -8.879 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30744_6wpb 1 . 2 . 208 . 1 1 1 GLY HA3 H 4.984 9.104 -10.324 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30744_6wpb 1 . 2 . 209 . 1 1 1 GLY N N 5.077 10.251 -8.557 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30744_6wpb 1 . 2 . 210 . 1 1 1 GLY O O 6.859 7.833 -7.994 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30744_6wpb 1 . 2 . 211 . 1 1 2 ILE C C 9.527 8.533 -9.019 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . c30744_6wpb 1 . 2 . 212 . 1 1 2 ILE CA C 8.686 7.828 -10.077 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . c30744_6wpb 1 . 2 . 213 . 1 1 2 ILE CB C 9.323 7.971 -11.454 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . c30744_6wpb 1 . 2 . 214 . 1 1 2 ILE CD1 C 9.020 7.384 -13.856 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 2 . 215 . 1 1 2 ILE CG1 C 8.401 7.303 -12.469 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 2 . 216 . 1 1 2 ILE CG2 C 10.704 7.308 -11.493 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 2 . 217 . 1 1 2 ILE H H 7.015 8.792 -10.951 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . c30744_6wpb 1 . 2 . 218 . 1 1 2 ILE HA H 8.629 6.782 -9.845 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . c30744_6wpb 1 . 2 . 219 . 1 1 2 ILE HB H 9.418 9.017 -11.690 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . c30744_6wpb 1 . 2 . 220 . 1 1 2 ILE HD11 H 9.365 8.390 -14.036 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 2 . 221 . 1 1 2 ILE HD12 H 8.281 7.116 -14.594 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 2 . 222 . 1 1 2 ILE HD13 H 9.852 6.701 -13.911 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 2 . 223 . 1 1 2 ILE HG12 H 8.263 6.268 -12.195 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 2 . 224 . 1 1 2 ILE HG13 H 7.444 7.805 -12.473 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 2 . 225 . 1 1 2 ILE HG21 H 11.304 7.661 -10.668 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 2 . 226 . 1 1 2 ILE HG22 H 11.199 7.555 -12.423 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 2 . 227 . 1 1 2 ILE HG23 H 10.590 6.236 -11.422 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 2 . 228 . 1 1 2 ILE N N 7.337 8.374 -10.123 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . c30744_6wpb 1 . 2 . 229 . 1 1 2 ILE O O 10.221 7.893 -8.235 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . c30744_6wpb 1 . 2 . 230 . 1 1 3 LEU C C 9.773 10.347 -6.609 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c30744_6wpb 1 . 2 . 231 . 1 1 3 LEU CA C 10.197 10.658 -8.042 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c30744_6wpb 1 . 2 . 232 . 1 1 3 LEU CB C 9.945 12.140 -8.349 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c30744_6wpb 1 . 2 . 233 . 1 1 3 LEU CD1 C 10.179 13.716 -10.289 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c30744_6wpb 1 . 2 . 234 . 1 1 3 LEU CD2 C 12.196 13.082 -8.973 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c30744_6wpb 1 . 2 . 235 . 1 1 3 LEU CG C 10.850 12.586 -9.516 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c30744_6wpb 1 . 2 . 236 . 1 1 3 LEU H H 8.868 10.303 -9.655 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c30744_6wpb 1 . 2 . 237 . 1 1 3 LEU HA H 11.248 10.455 -8.154 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c30744_6wpb 1 . 2 . 238 . 1 1 3 LEU HB2 H 8.905 12.267 -8.623 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c30744_6wpb 1 . 2 . 239 . 1 1 3 LEU HB3 H 10.155 12.740 -7.473 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c30744_6wpb 1 . 2 . 240 . 1 1 3 LEU HD11 H 9.277 13.343 -10.748 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c30744_6wpb 1 . 2 . 241 . 1 1 3 LEU HD12 H 10.851 14.075 -11.049 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c30744_6wpb 1 . 2 . 242 . 1 1 3 LEU HD13 H 9.934 14.517 -9.610 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c30744_6wpb 1 . 2 . 243 . 1 1 3 LEU HD21 H 12.041 13.979 -8.390 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c30744_6wpb 1 . 2 . 244 . 1 1 3 LEU HD22 H 12.857 13.299 -9.796 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c30744_6wpb 1 . 2 . 245 . 1 1 3 LEU HD23 H 12.637 12.321 -8.349 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c30744_6wpb 1 . 2 . 246 . 1 1 3 LEU HG H 11.016 11.753 -10.187 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c30744_6wpb 1 . 2 . 247 . 1 1 3 LEU N N 9.448 9.854 -9.006 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c30744_6wpb 1 . 2 . 248 . 1 1 3 LEU O O 10.604 10.240 -5.710 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c30744_6wpb 1 . 2 . 249 . 1 1 4 ASP C C 8.435 8.584 -4.568 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30744_6wpb 1 . 2 . 250 . 1 1 4 ASP CA C 7.921 9.920 -5.096 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30744_6wpb 1 . 2 . 251 . 1 1 4 ASP CB C 6.393 9.883 -5.202 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30744_6wpb 1 . 2 . 252 . 1 1 4 ASP CG C 5.858 11.297 -5.408 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30744_6wpb 1 . 2 . 253 . 1 1 4 ASP H H 7.863 10.310 -7.175 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30744_6wpb 1 . 2 . 254 . 1 1 4 ASP HA H 8.206 10.703 -4.409 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30744_6wpb 1 . 2 . 255 . 1 1 4 ASP HB2 H 6.111 9.265 -6.044 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30744_6wpb 1 . 2 . 256 . 1 1 4 ASP HB3 H 5.974 9.469 -4.297 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30744_6wpb 1 . 2 . 257 . 1 1 4 ASP N N 8.472 10.209 -6.414 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30744_6wpb 1 . 2 . 258 . 1 1 4 ASP O O 8.802 8.464 -3.400 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30744_6wpb 1 . 2 . 259 . 1 1 4 ASP OD1 O 4.712 11.426 -5.805 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30744_6wpb 1 . 2 . 260 . 1 1 4 ASP OD2 O 6.606 12.230 -5.169 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30744_6wpb 1 . 2 . 261 . 1 1 5 ALA C C 10.409 6.277 -4.696 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c30744_6wpb 1 . 2 . 262 . 1 1 5 ALA CA C 8.926 6.256 -5.066 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c30744_6wpb 1 . 2 . 263 . 1 1 5 ALA CB C 8.711 5.301 -6.244 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c30744_6wpb 1 . 2 . 264 . 1 1 5 ALA H H 8.155 7.750 -6.359 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c30744_6wpb 1 . 2 . 265 . 1 1 5 ALA HA H 8.355 5.904 -4.221 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c30744_6wpb 1 . 2 . 266 . 1 1 5 ALA HB1 H 9.049 4.310 -5.978 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 2 . 267 . 1 1 5 ALA HB2 H 9.271 5.654 -7.099 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 2 . 268 . 1 1 5 ALA HB3 H 7.661 5.268 -6.495 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 2 . 269 . 1 1 5 ALA N N 8.459 7.588 -5.440 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c30744_6wpb 1 . 2 . 270 . 1 1 5 ALA O O 10.827 5.652 -3.723 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c30744_6wpb 1 . 2 . 271 . 1 1 6 ILE C C 12.913 7.785 -3.898 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c30744_6wpb 1 . 2 . 272 . 1 1 6 ILE CA C 12.630 7.118 -5.239 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c30744_6wpb 1 . 2 . 273 . 1 1 6 ILE CB C 13.242 7.942 -6.376 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c30744_6wpb 1 . 2 . 274 . 1 1 6 ILE CD1 C 13.418 8.048 -8.865 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 2 . 275 . 1 1 6 ILE CG1 C 13.153 7.134 -7.670 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 2 . 276 . 1 1 6 ILE CG2 C 14.709 8.270 -6.079 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 2 . 277 . 1 1 6 ILE H H 10.793 7.486 -6.233 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c30744_6wpb 1 . 2 . 278 . 1 1 6 ILE HA H 13.070 6.132 -5.245 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c30744_6wpb 1 . 2 . 279 . 1 1 6 ILE HB H 12.686 8.862 -6.488 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c30744_6wpb 1 . 2 . 280 . 1 1 6 ILE HD11 H 13.547 7.448 -9.752 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 2 . 281 . 1 1 6 ILE HD12 H 14.313 8.624 -8.685 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 2 . 282 . 1 1 6 ILE HD13 H 12.580 8.715 -8.999 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 2 . 283 . 1 1 6 ILE HG12 H 13.889 6.345 -7.648 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 2 . 284 . 1 1 6 ILE HG13 H 12.167 6.703 -7.760 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 2 . 285 . 1 1 6 ILE HG21 H 15.167 8.698 -6.960 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 2 . 286 . 1 1 6 ILE HG22 H 15.232 7.366 -5.806 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 2 . 287 . 1 1 6 ILE HG23 H 14.766 8.979 -5.267 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 2 . 288 . 1 1 6 ILE N N 11.192 7.004 -5.476 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c30744_6wpb 1 . 2 . 289 . 1 1 6 ILE O O 13.783 7.356 -3.144 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c30744_6wpb 1 . 2 . 290 . 1 1 7 LYS C C 12.043 8.691 -1.174 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30744_6wpb 1 . 2 . 291 . 1 1 7 LYS CA C 12.320 9.586 -2.379 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30744_6wpb 1 . 2 . 292 . 1 1 7 LYS CB C 11.337 10.769 -2.408 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30744_6wpb 1 . 2 . 293 . 1 1 7 LYS CD C 10.605 11.384 -0.076 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30744_6wpb 1 . 2 . 294 . 1 1 7 LYS CE C 10.860 12.349 1.076 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30744_6wpb 1 . 2 . 295 . 1 1 7 LYS CG C 11.570 11.714 -1.212 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30744_6wpb 1 . 2 . 296 . 1 1 7 LYS H H 11.491 9.127 -4.269 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30744_6wpb 1 . 2 . 297 . 1 1 7 LYS HA H 13.323 9.966 -2.308 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30744_6wpb 1 . 2 . 298 . 1 1 7 LYS HB2 H 11.479 11.320 -3.326 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30744_6wpb 1 . 2 . 299 . 1 1 7 LYS HB3 H 10.324 10.389 -2.383 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30744_6wpb 1 . 2 . 300 . 1 1 7 LYS HD2 H 9.587 11.487 -0.424 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30744_6wpb 1 . 2 . 301 . 1 1 7 LYS HD3 H 10.774 10.375 0.258 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30744_6wpb 1 . 2 . 302 . 1 1 7 LYS HE2 H 10.727 13.364 0.728 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30744_6wpb 1 . 2 . 303 . 1 1 7 LYS HE3 H 10.172 12.146 1.882 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30744_6wpb 1 . 2 . 304 . 1 1 7 LYS HG2 H 12.585 11.619 -0.856 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30744_6wpb 1 . 2 . 305 . 1 1 7 LYS HG3 H 11.404 12.735 -1.525 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30744_6wpb 1 . 2 . 306 . 1 1 7 LYS HZ1 H 12.253 11.905 2.557 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30744_6wpb 1 . 2 . 307 . 1 1 7 LYS HZ2 H 12.790 13.047 1.419 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30744_6wpb 1 . 2 . 308 . 1 1 7 LYS HZ3 H 12.710 11.402 1.003 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30744_6wpb 1 . 2 . 309 . 1 1 7 LYS N N 12.167 8.840 -3.621 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30744_6wpb 1 . 2 . 310 . 1 1 7 LYS NZ N 12.258 12.163 1.551 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30744_6wpb 1 . 2 . 311 . 1 1 7 LYS O O 12.781 8.707 -0.190 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30744_6wpb 1 . 2 . 312 . 1 1 8 ALA C C 11.679 5.987 0.101 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . c30744_6wpb 1 . 2 . 313 . 1 1 8 ALA CA C 10.589 7.017 -0.176 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . c30744_6wpb 1 . 2 . 314 . 1 1 8 ALA CB C 9.293 6.296 -0.560 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . c30744_6wpb 1 . 2 . 315 . 1 1 8 ALA H H 10.424 7.951 -2.074 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . c30744_6wpb 1 . 2 . 316 . 1 1 8 ALA HA H 10.416 7.593 0.716 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . c30744_6wpb 1 . 2 . 317 . 1 1 8 ALA HB1 H 8.500 7.019 -0.683 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 2 . 318 . 1 1 8 ALA HB2 H 9.022 5.592 0.212 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 2 . 319 . 1 1 8 ALA HB3 H 9.439 5.768 -1.493 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 2 . 320 . 1 1 8 ALA N N 10.973 7.916 -1.263 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . c30744_6wpb 1 . 2 . 321 . 1 1 8 ALA O O 12.004 5.694 1.251 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . c30744_6wpb 1 . 2 . 322 . 1 1 9 ILE C C 14.549 5.033 -0.217 . . . 1.0 . . . . . . . . . . . . A . 9 ILE C . . . . . . . . . c30744_6wpb 1 . 2 . 323 . 1 1 9 ILE CA C 13.299 4.451 -0.873 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CA . . . . . . . . . c30744_6wpb 1 . 2 . 324 . 1 1 9 ILE CB C 13.615 3.958 -2.289 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CB . . . . . . . . . c30744_6wpb 1 . 2 . 325 . 1 1 9 ILE CD1 C 12.555 2.912 -4.300 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 2 . 326 . 1 1 9 ILE CG1 C 12.416 3.158 -2.798 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 2 . 327 . 1 1 9 ILE CG2 C 14.864 3.073 -2.292 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 2 . 328 . 1 1 9 ILE H H 11.930 5.738 -1.852 . . . 1.0 . . . . . . . . . . . . A . 9 ILE H . . . . . . . . . c30744_6wpb 1 . 2 . 329 . 1 1 9 ILE HA H 12.948 3.617 -0.284 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HA . . . . . . . . . c30744_6wpb 1 . 2 . 330 . 1 1 9 ILE HB H 13.777 4.809 -2.934 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HB . . . . . . . . . c30744_6wpb 1 . 2 . 331 . 1 1 9 ILE HD11 H 11.775 2.240 -4.626 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 2 . 332 . 1 1 9 ILE HD12 H 13.519 2.472 -4.504 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 2 . 333 . 1 1 9 ILE HD13 H 12.467 3.850 -4.827 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 2 . 334 . 1 1 9 ILE HG12 H 12.372 2.211 -2.281 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 2 . 335 . 1 1 9 ILE HG13 H 11.508 3.712 -2.610 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 2 . 336 . 1 1 9 ILE HG21 H 14.953 2.580 -3.250 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 2 . 337 . 1 1 9 ILE HG22 H 14.784 2.332 -1.512 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 2 . 338 . 1 1 9 ILE HG23 H 15.740 3.683 -2.121 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 2 . 339 . 1 1 9 ILE N N 12.239 5.450 -0.968 . . . 1.0 . . . . . . . . . . . . A . 9 ILE N . . . . . . . . . c30744_6wpb 1 . 2 . 340 . 1 1 9 ILE O O 15.168 4.403 0.638 . . . 1.0 . . . . . . . . . . . . A . 9 ILE O . . . . . . . . . c30744_6wpb 1 . 2 . 341 . 1 1 10 ALA C C 15.893 7.183 1.421 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c30744_6wpb 1 . 2 . 342 . 1 1 10 ALA CA C 16.070 6.923 -0.069 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c30744_6wpb 1 . 2 . 343 . 1 1 10 ALA CB C 16.268 8.259 -0.789 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c30744_6wpb 1 . 2 . 344 . 1 1 10 ALA H H 14.360 6.696 -1.298 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c30744_6wpb 1 . 2 . 345 . 1 1 10 ALA HA H 16.939 6.309 -0.219 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c30744_6wpb 1 . 2 . 346 . 1 1 10 ALA HB1 H 17.074 8.808 -0.325 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 2 . 347 . 1 1 10 ALA HB2 H 15.357 8.839 -0.724 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 2 . 348 . 1 1 10 ALA HB3 H 16.503 8.081 -1.828 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 2 . 349 . 1 1 10 ALA N N 14.900 6.245 -0.619 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c30744_6wpb 1 . 2 . 350 . 1 1 10 ALA O O 16.829 7.051 2.207 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c30744_6wpb 1 . 2 . 351 . 1 1 11 LYS C C 14.594 6.612 4.062 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c30744_6wpb 1 . 2 . 352 . 1 1 11 LYS CA C 14.366 7.839 3.185 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c30744_6wpb 1 . 2 . 353 . 1 1 11 LYS CB C 12.904 8.266 3.259 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c30744_6wpb 1 . 2 . 354 . 1 1 11 LYS CD C 12.060 8.022 5.608 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c30744_6wpb 1 . 2 . 355 . 1 1 11 LYS CE C 11.779 8.737 6.924 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c30744_6wpb 1 . 2 . 356 . 1 1 11 LYS CG C 12.616 9.007 4.581 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c30744_6wpb 1 . 2 . 357 . 1 1 11 LYS H H 13.983 7.636 1.114 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c30744_6wpb 1 . 2 . 358 . 1 1 11 LYS HA H 14.977 8.647 3.534 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c30744_6wpb 1 . 2 . 359 . 1 1 11 LYS HB2 H 12.691 8.916 2.428 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c30744_6wpb 1 . 2 . 360 . 1 1 11 LYS HB3 H 12.272 7.390 3.185 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c30744_6wpb 1 . 2 . 361 . 1 1 11 LYS HD2 H 11.145 7.592 5.231 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c30744_6wpb 1 . 2 . 362 . 1 1 11 LYS HD3 H 12.780 7.238 5.779 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c30744_6wpb 1 . 2 . 363 . 1 1 11 LYS HE2 H 12.691 9.179 7.301 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c30744_6wpb 1 . 2 . 364 . 1 1 11 LYS HE3 H 11.038 9.506 6.767 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c30744_6wpb 1 . 2 . 365 . 1 1 11 LYS HG2 H 13.514 9.460 4.971 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c30744_6wpb 1 . 2 . 366 . 1 1 11 LYS HG3 H 11.901 9.776 4.399 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c30744_6wpb 1 . 2 . 367 . 1 1 11 LYS HZ1 H 11.671 6.804 7.673 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c30744_6wpb 1 . 2 . 368 . 1 1 11 LYS HZ2 H 10.226 7.685 7.819 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c30744_6wpb 1 . 2 . 369 . 1 1 11 LYS HZ3 H 11.532 8.010 8.856 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c30744_6wpb 1 . 2 . 370 . 1 1 11 LYS N N 14.684 7.554 1.794 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c30744_6wpb 1 . 2 . 371 . 1 1 11 LYS NZ N 11.263 7.735 7.893 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c30744_6wpb 1 . 2 . 372 . 1 1 11 LYS O O 15.190 6.696 5.135 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c30744_6wpb 1 . 2 . 373 . 1 1 12 ALA C C 15.712 3.809 4.420 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c30744_6wpb 1 . 2 . 374 . 1 1 12 ALA CA C 14.246 4.218 4.311 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c30744_6wpb 1 . 2 . 375 . 1 1 12 ALA CB C 13.463 3.123 3.578 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c30744_6wpb 1 . 2 . 376 . 1 1 12 ALA H H 13.645 5.494 2.723 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c30744_6wpb 1 . 2 . 377 . 1 1 12 ALA HA H 13.841 4.333 5.301 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c30744_6wpb 1 . 2 . 378 . 1 1 12 ALA HB1 H 12.424 3.409 3.508 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 2 . 379 . 1 1 12 ALA HB2 H 13.544 2.190 4.116 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 2 . 380 . 1 1 12 ALA HB3 H 13.865 2.999 2.581 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 2 . 381 . 1 1 12 ALA N N 14.109 5.480 3.585 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c30744_6wpb 1 . 2 . 382 . 1 1 12 ALA O O 16.158 3.302 5.449 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c30744_6wpb 1 . 2 . 383 . 1 1 13 ALA C C 18.665 4.520 4.297 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c30744_6wpb 1 . 2 . 384 . 1 1 13 ALA CA C 17.865 3.700 3.288 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c30744_6wpb 1 . 2 . 385 . 1 1 13 ALA CB C 18.393 3.964 1.877 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c30744_6wpb 1 . 2 . 386 . 1 1 13 ALA H H 16.020 4.443 2.563 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c30744_6wpb 1 . 2 . 387 . 1 1 13 ALA HA H 17.987 2.657 3.515 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c30744_6wpb 1 . 2 . 388 . 1 1 13 ALA HB1 H 19.390 3.561 1.778 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 2 . 389 . 1 1 13 ALA HB2 H 18.415 5.029 1.695 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 2 . 390 . 1 1 13 ALA HB3 H 17.740 3.493 1.155 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 2 . 391 . 1 1 13 ALA N N 16.446 4.037 3.343 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c30744_6wpb 1 . 2 . 392 . 1 1 13 ALA O O 19.589 4.014 4.931 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c30744_6wpb 1 . 2 . 393 . 1 1 14 GLY C C 18.421 8.089 5.282 . . . 1.0 . . . . . . . . . . . . A . 14 GLY C . . . . . . . . . c30744_6wpb 1 . 2 . 394 . 1 1 14 GLY CA C 18.990 6.676 5.372 . . . 1.0 . . . . . . . . . . . . A . 14 GLY CA . . . . . . . . . c30744_6wpb 1 . 2 . 395 . 1 1 14 GLY H H 17.559 6.127 3.903 . . . 1.0 . . . . . . . . . . . . A . 14 GLY H . . . . . . . . . c30744_6wpb 1 . 2 . 396 . 1 1 14 GLY HA2 H 18.863 6.302 6.381 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA2 . . . . . . . . . c30744_6wpb 1 . 2 . 397 . 1 1 14 GLY HA3 H 20.043 6.702 5.134 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA3 . . . . . . . . . c30744_6wpb 1 . 2 . 398 . 1 1 14 GLY N N 18.304 5.785 4.437 . . . 1.0 . . . . . . . . . . . . A . 14 GLY N . . . . . . . . . c30744_6wpb 1 . 2 . 399 . 1 1 14 GLY O O 18.161 8.726 6.304 . . . 1.0 . . . . . . . . . . . . A . 14 GLY O . . . . . . . . . c30744_6wpb 1 . 2 . 400 . 1 1 15 NH2 HN1 H 18.417 8.114 3.297 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30744_6wpb 1 . 2 . 401 . 1 1 15 NH2 HN2 H 17.842 9.526 4.042 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c30744_6wpb 1 . 2 . 402 . 1 1 15 NH2 N N 18.210 8.621 4.110 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30744_6wpb 1 . 3 . 403 . 1 1 1 GLY C C 6.656 7.932 -9.154 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30744_6wpb 1 . 3 . 404 . 1 1 1 GLY CA C 5.237 8.400 -9.465 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30744_6wpb 1 . 3 . 405 . 1 1 1 GLY H1 H 4.404 7.732 -11.260 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30744_6wpb 1 . 3 . 406 . 1 1 1 GLY H2 H 5.944 8.430 -11.434 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c30744_6wpb 1 . 3 . 407 . 1 1 1 GLY H3 H 4.585 9.413 -11.165 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c30744_6wpb 1 . 3 . 408 . 1 1 1 GLY HA2 H 5.076 9.365 -9.018 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30744_6wpb 1 . 3 . 409 . 1 1 1 GLY HA3 H 4.531 7.690 -9.055 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30744_6wpb 1 . 3 . 410 . 1 1 1 GLY N N 5.029 8.500 -10.943 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30744_6wpb 1 . 3 . 411 . 1 1 1 GLY O O 6.953 7.523 -8.032 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30744_6wpb 1 . 3 . 412 . 1 1 2 ILE C C 9.622 8.406 -8.961 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . c30744_6wpb 1 . 3 . 413 . 1 1 2 ILE CA C 8.899 7.550 -9.993 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . c30744_6wpb 1 . 3 . 414 . 1 1 2 ILE CB C 9.590 7.642 -11.354 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . c30744_6wpb 1 . 3 . 415 . 1 1 2 ILE CD1 C 9.133 5.168 -11.794 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 3 . 416 . 1 1 2 ILE CG1 C 8.947 6.613 -12.301 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 3 . 417 . 1 1 2 ILE CG2 C 11.090 7.374 -11.231 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 3 . 418 . 1 1 2 ILE H H 7.224 8.311 -11.030 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . c30744_6wpb 1 . 3 . 419 . 1 1 2 ILE HA H 8.911 6.532 -9.671 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . c30744_6wpb 1 . 3 . 420 . 1 1 2 ILE HB H 9.441 8.630 -11.758 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . c30744_6wpb 1 . 3 . 421 . 1 1 2 ILE HD11 H 9.209 4.500 -12.642 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 3 . 422 . 1 1 2 ILE HD12 H 8.277 4.885 -11.198 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 3 . 423 . 1 1 2 ILE HD13 H 10.028 5.090 -11.191 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 3 . 424 . 1 1 2 ILE HG12 H 7.892 6.823 -12.362 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 3 . 425 . 1 1 2 ILE HG13 H 9.387 6.709 -13.281 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 3 . 426 . 1 1 2 ILE HG21 H 11.247 6.474 -10.660 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 3 . 427 . 1 1 2 ILE HG22 H 11.568 8.207 -10.737 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 3 . 428 . 1 1 2 ILE HG23 H 11.510 7.250 -12.219 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 3 . 429 . 1 1 2 ILE N N 7.521 7.986 -10.155 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . c30744_6wpb 1 . 3 . 430 . 1 1 2 ILE O O 10.351 7.888 -8.116 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . c30744_6wpb 1 . 3 . 431 . 1 1 3 LEU C C 9.613 10.356 -6.679 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c30744_6wpb 1 . 3 . 432 . 1 1 3 LEU CA C 10.035 10.644 -8.122 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c30744_6wpb 1 . 3 . 433 . 1 1 3 LEU CB C 9.613 12.065 -8.528 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c30744_6wpb 1 . 3 . 434 . 1 1 3 LEU CD1 C 10.246 11.639 -10.919 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c30744_6wpb 1 . 3 . 435 . 1 1 3 LEU CD2 C 10.114 13.971 -10.046 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c30744_6wpb 1 . 3 . 436 . 1 1 3 LEU CG C 10.484 12.538 -9.701 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c30744_6wpb 1 . 3 . 437 . 1 1 3 LEU H H 8.814 10.058 -9.740 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c30744_6wpb 1 . 3 . 438 . 1 1 3 LEU HA H 11.105 10.564 -8.200 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c30744_6wpb 1 . 3 . 439 . 1 1 3 LEU HB2 H 8.573 12.059 -8.833 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c30744_6wpb 1 . 3 . 440 . 1 1 3 LEU HB3 H 9.738 12.741 -7.694 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c30744_6wpb 1 . 3 . 441 . 1 1 3 LEU HD11 H 10.633 12.122 -11.808 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c30744_6wpb 1 . 3 . 442 . 1 1 3 LEU HD12 H 9.186 11.467 -11.041 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c30744_6wpb 1 . 3 . 443 . 1 1 3 LEU HD13 H 10.748 10.694 -10.778 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c30744_6wpb 1 . 3 . 444 . 1 1 3 LEU HD21 H 9.074 14.012 -10.333 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c30744_6wpb 1 . 3 . 445 . 1 1 3 LEU HD22 H 10.728 14.312 -10.866 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c30744_6wpb 1 . 3 . 446 . 1 1 3 LEU HD23 H 10.277 14.597 -9.185 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c30744_6wpb 1 . 3 . 447 . 1 1 3 LEU HG H 11.527 12.494 -9.420 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c30744_6wpb 1 . 3 . 448 . 1 1 3 LEU N N 9.407 9.710 -9.036 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c30744_6wpb 1 . 3 . 449 . 1 1 3 LEU O O 10.435 10.387 -5.766 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c30744_6wpb 1 . 3 . 450 . 1 1 4 ASP C C 8.394 8.541 -4.587 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30744_6wpb 1 . 3 . 451 . 1 1 4 ASP CA C 7.783 9.814 -5.173 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30744_6wpb 1 . 3 . 452 . 1 1 4 ASP CB C 6.255 9.665 -5.312 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30744_6wpb 1 . 3 . 453 . 1 1 4 ASP CG C 5.587 11.039 -5.259 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30744_6wpb 1 . 3 . 454 . 1 1 4 ASP H H 7.720 10.093 -7.263 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30744_6wpb 1 . 3 . 455 . 1 1 4 ASP HA H 7.999 10.639 -4.512 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30744_6wpb 1 . 3 . 456 . 1 1 4 ASP HB2 H 6.028 9.196 -6.260 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30744_6wpb 1 . 3 . 457 . 1 1 4 ASP HB3 H 5.871 9.052 -4.509 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30744_6wpb 1 . 3 . 458 . 1 1 4 ASP N N 8.328 10.091 -6.492 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30744_6wpb 1 . 3 . 459 . 1 1 4 ASP O O 8.680 8.470 -3.392 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30744_6wpb 1 . 3 . 460 . 1 1 4 ASP OD1 O 6.305 12.027 -5.289 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30744_6wpb 1 . 3 . 461 . 1 1 4 ASP OD2 O 4.370 11.083 -5.211 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30744_6wpb 1 . 3 . 462 . 1 1 5 ALA C C 10.588 6.450 -4.533 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c30744_6wpb 1 . 3 . 463 . 1 1 5 ALA CA C 9.152 6.274 -5.026 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c30744_6wpb 1 . 3 . 464 . 1 1 5 ALA CB C 9.115 5.312 -6.216 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c30744_6wpb 1 . 3 . 465 . 1 1 5 ALA H H 8.328 7.663 -6.382 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c30744_6wpb 1 . 3 . 466 . 1 1 5 ALA HA H 8.554 5.858 -4.232 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c30744_6wpb 1 . 3 . 467 . 1 1 5 ALA HB1 H 9.681 4.422 -5.985 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 3 . 468 . 1 1 5 ALA HB2 H 9.541 5.794 -7.087 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 3 . 469 . 1 1 5 ALA HB3 H 8.091 5.040 -6.419 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 3 . 470 . 1 1 5 ALA N N 8.586 7.545 -5.441 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c30744_6wpb 1 . 3 . 471 . 1 1 5 ALA O O 10.968 5.910 -3.502 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c30744_6wpb 1 . 3 . 472 . 1 1 6 ILE C C 12.871 8.177 -3.598 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c30744_6wpb 1 . 3 . 473 . 1 1 6 ILE CA C 12.764 7.457 -4.938 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c30744_6wpb 1 . 3 . 474 . 1 1 6 ILE CB C 13.385 8.303 -6.053 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c30744_6wpb 1 . 3 . 475 . 1 1 6 ILE CD1 C 13.794 8.352 -8.514 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 3 . 476 . 1 1 6 ILE CG1 C 13.475 7.453 -7.323 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 3 . 477 . 1 1 6 ILE CG2 C 14.782 8.780 -5.656 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 3 . 478 . 1 1 6 ILE H H 11.008 7.614 -6.101 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c30744_6wpb 1 . 3 . 479 . 1 1 6 ILE HA H 13.293 6.520 -4.882 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c30744_6wpb 1 . 3 . 480 . 1 1 6 ILE HB H 12.757 9.164 -6.245 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c30744_6wpb 1 . 3 . 481 . 1 1 6 ILE HD11 H 13.079 9.161 -8.554 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 3 . 482 . 1 1 6 ILE HD12 H 13.734 7.776 -9.426 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 3 . 483 . 1 1 6 ILE HD13 H 14.788 8.754 -8.404 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 3 . 484 . 1 1 6 ILE HG12 H 14.254 6.711 -7.207 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 3 . 485 . 1 1 6 ILE HG13 H 12.529 6.957 -7.490 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 3 . 486 . 1 1 6 ILE HG21 H 14.699 9.525 -4.879 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 3 . 487 . 1 1 6 ILE HG22 H 15.270 9.211 -6.517 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 3 . 488 . 1 1 6 ILE HG23 H 15.360 7.942 -5.296 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 3 . 489 . 1 1 6 ILE N N 11.371 7.210 -5.283 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c30744_6wpb 1 . 3 . 490 . 1 1 6 ILE O O 13.717 7.839 -2.773 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c30744_6wpb 1 . 3 . 491 . 1 1 7 LYS C C 11.834 9.034 -0.952 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30744_6wpb 1 . 3 . 492 . 1 1 7 LYS CA C 12.007 9.935 -2.169 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30744_6wpb 1 . 3 . 493 . 1 1 7 LYS CB C 10.858 10.946 -2.268 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30744_6wpb 1 . 3 . 494 . 1 1 7 LYS CD C 9.773 11.310 -0.040 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30744_6wpb 1 . 3 . 495 . 1 1 7 LYS CE C 9.663 12.208 1.173 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30744_6wpb 1 . 3 . 496 . 1 1 7 LYS CG C 10.804 11.859 -1.021 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30744_6wpb 1 . 3 . 497 . 1 1 7 LYS H H 11.362 9.381 -4.103 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30744_6wpb 1 . 3 . 498 . 1 1 7 LYS HA H 12.928 10.479 -2.074 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30744_6wpb 1 . 3 . 499 . 1 1 7 LYS HB2 H 11.009 11.550 -3.152 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30744_6wpb 1 . 3 . 500 . 1 1 7 LYS HB3 H 9.921 10.407 -2.368 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30744_6wpb 1 . 3 . 501 . 1 1 7 LYS HD2 H 8.810 11.255 -0.527 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30744_6wpb 1 . 3 . 502 . 1 1 7 LYS HD3 H 10.072 10.327 0.273 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30744_6wpb 1 . 3 . 503 . 1 1 7 LYS HE2 H 10.619 12.263 1.675 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30744_6wpb 1 . 3 . 504 . 1 1 7 LYS HE3 H 9.354 13.197 0.867 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30744_6wpb 1 . 3 . 505 . 1 1 7 LYS HG2 H 11.774 11.890 -0.541 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30744_6wpb 1 . 3 . 506 . 1 1 7 LYS HG3 H 10.516 12.860 -1.312 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30744_6wpb 1 . 3 . 507 . 1 1 7 LYS HZ1 H 8.691 12.100 3.001 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30744_6wpb 1 . 3 . 508 . 1 1 7 LYS HZ2 H 8.842 10.608 2.203 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30744_6wpb 1 . 3 . 509 . 1 1 7 LYS HZ3 H 7.703 11.749 1.669 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30744_6wpb 1 . 3 . 510 . 1 1 7 LYS N N 12.012 9.162 -3.398 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30744_6wpb 1 . 3 . 511 . 1 1 7 LYS NZ N 8.648 11.623 2.081 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30744_6wpb 1 . 3 . 512 . 1 1 7 LYS O O 12.600 9.127 0.007 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30744_6wpb 1 . 3 . 513 . 1 1 8 ALA C C 11.688 6.265 0.297 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . c30744_6wpb 1 . 3 . 514 . 1 1 8 ALA CA C 10.548 7.260 0.099 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . c30744_6wpb 1 . 3 . 515 . 1 1 8 ALA CB C 9.242 6.521 -0.208 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . c30744_6wpb 1 . 3 . 516 . 1 1 8 ALA H H 10.251 8.145 -1.795 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . c30744_6wpb 1 . 3 . 517 . 1 1 8 ALA HA H 10.416 7.826 1.002 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . c30744_6wpb 1 . 3 . 518 . 1 1 8 ALA HB1 H 9.378 5.877 -1.064 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 3 . 519 . 1 1 8 ALA HB2 H 8.468 7.245 -0.420 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 3 . 520 . 1 1 8 ALA HB3 H 8.952 5.926 0.645 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 3 . 521 . 1 1 8 ALA N N 10.829 8.170 -0.999 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . c30744_6wpb 1 . 3 . 522 . 1 1 8 ALA O O 12.094 5.983 1.423 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . c30744_6wpb 1 . 3 . 523 . 1 1 9 ILE C C 14.544 5.386 -0.220 . . . 1.0 . . . . . . . . . . . . A . 9 ILE C . . . . . . . . . c30744_6wpb 1 . 3 . 524 . 1 1 9 ILE CA C 13.269 4.777 -0.795 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CA . . . . . . . . . c30744_6wpb 1 . 3 . 525 . 1 1 9 ILE CB C 13.486 4.299 -2.236 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CB . . . . . . . . . c30744_6wpb 1 . 3 . 526 . 1 1 9 ILE CD1 C 12.277 3.267 -4.169 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 3 . 527 . 1 1 9 ILE CG1 C 12.274 3.456 -2.655 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 3 . 528 . 1 1 9 ILE CG2 C 14.759 3.460 -2.344 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 3 . 529 . 1 1 9 ILE H H 11.803 6.013 -1.674 . . . 1.0 . . . . . . . . . . . . A . 9 ILE H . . . . . . . . . c30744_6wpb 1 . 3 . 530 . 1 1 9 ILE HA H 12.982 3.929 -0.194 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HA . . . . . . . . . c30744_6wpb 1 . 3 . 531 . 1 1 9 ILE HB H 13.568 5.155 -2.892 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HB . . . . . . . . . c30744_6wpb 1 . 3 . 532 . 1 1 9 ILE HD11 H 12.305 4.235 -4.653 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 3 . 533 . 1 1 9 ILE HD12 H 11.382 2.743 -4.469 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 3 . 534 . 1 1 9 ILE HD13 H 13.144 2.695 -4.456 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 3 . 535 . 1 1 9 ILE HG12 H 12.322 2.493 -2.171 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 3 . 536 . 1 1 9 ILE HG13 H 11.363 3.956 -2.356 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 3 . 537 . 1 1 9 ILE HG21 H 15.621 4.106 -2.273 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 3 . 538 . 1 1 9 ILE HG22 H 14.769 2.949 -3.296 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 3 . 539 . 1 1 9 ILE HG23 H 14.784 2.734 -1.545 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 3 . 540 . 1 1 9 ILE N N 12.184 5.744 -0.810 . . . 1.0 . . . . . . . . . . . . A . 9 ILE N . . . . . . . . . c30744_6wpb 1 . 3 . 541 . 1 1 9 ILE O O 15.232 4.754 0.580 . . . 1.0 . . . . . . . . . . . . A . 9 ILE O . . . . . . . . . c30744_6wpb 1 . 3 . 542 . 1 1 10 ALA C C 16.054 7.397 1.352 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c30744_6wpb 1 . 3 . 543 . 1 1 10 ALA CA C 16.041 7.297 -0.170 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c30744_6wpb 1 . 3 . 544 . 1 1 10 ALA CB C 16.056 8.697 -0.791 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c30744_6wpb 1 . 3 . 545 . 1 1 10 ALA H H 14.263 7.058 -1.281 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c30744_6wpb 1 . 3 . 546 . 1 1 10 ALA HA H 16.917 6.768 -0.498 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c30744_6wpb 1 . 3 . 547 . 1 1 10 ALA HB1 H 15.074 9.141 -0.708 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 3 . 548 . 1 1 10 ALA HB2 H 16.328 8.620 -1.834 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 3 . 549 . 1 1 10 ALA HB3 H 16.777 9.318 -0.279 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 3 . 550 . 1 1 10 ALA N N 14.851 6.607 -0.637 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c30744_6wpb 1 . 3 . 551 . 1 1 10 ALA O O 17.028 7.023 2.003 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c30744_6wpb 1 . 3 . 552 . 1 1 11 LYS C C 14.838 6.705 4.054 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c30744_6wpb 1 . 3 . 553 . 1 1 11 LYS CA C 14.837 8.052 3.346 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c30744_6wpb 1 . 3 . 554 . 1 1 11 LYS CB C 13.563 8.814 3.633 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c30744_6wpb 1 . 3 . 555 . 1 1 11 LYS CD C 12.565 11.060 3.576 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c30744_6wpb 1 . 3 . 556 . 1 1 11 LYS CE C 12.756 12.531 3.212 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c30744_6wpb 1 . 3 . 557 . 1 1 11 LYS CG C 13.757 10.254 3.149 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c30744_6wpb 1 . 3 . 558 . 1 1 11 LYS H H 14.218 8.179 1.328 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c30744_6wpb 1 . 3 . 559 . 1 1 11 LYS HA H 15.649 8.638 3.717 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c30744_6wpb 1 . 3 . 560 . 1 1 11 LYS HB2 H 12.741 8.354 3.099 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c30744_6wpb 1 . 3 . 561 . 1 1 11 LYS HB3 H 13.356 8.810 4.693 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c30744_6wpb 1 . 3 . 562 . 1 1 11 LYS HD2 H 11.678 10.676 3.091 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c30744_6wpb 1 . 3 . 563 . 1 1 11 LYS HD3 H 12.472 10.962 4.639 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c30744_6wpb 1 . 3 . 564 . 1 1 11 LYS HE2 H 13.631 12.919 3.713 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c30744_6wpb 1 . 3 . 565 . 1 1 11 LYS HE3 H 12.880 12.633 2.142 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c30744_6wpb 1 . 3 . 566 . 1 1 11 LYS HG2 H 14.649 10.679 3.587 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c30744_6wpb 1 . 3 . 567 . 1 1 11 LYS HG3 H 13.842 10.266 2.076 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c30744_6wpb 1 . 3 . 568 . 1 1 11 LYS HZ1 H 11.466 14.156 3.089 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c30744_6wpb 1 . 3 . 569 . 1 1 11 LYS HZ2 H 11.651 13.529 4.658 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c30744_6wpb 1 . 3 . 570 . 1 1 11 LYS HZ3 H 10.709 12.698 3.513 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c30744_6wpb 1 . 3 . 571 . 1 1 11 LYS N N 14.964 7.901 1.906 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c30744_6wpb 1 . 3 . 572 . 1 1 11 LYS NZ N 11.555 13.286 3.650 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c30744_6wpb 1 . 3 . 573 . 1 1 11 LYS O O 15.465 6.545 5.099 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c30744_6wpb 1 . 3 . 574 . 1 1 12 ALA C C 15.412 3.745 4.081 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c30744_6wpb 1 . 3 . 575 . 1 1 12 ALA CA C 14.040 4.411 4.019 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c30744_6wpb 1 . 3 . 576 . 1 1 12 ALA CB C 13.095 3.593 3.135 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c30744_6wpb 1 . 3 . 577 . 1 1 12 ALA H H 13.660 5.955 2.635 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c30744_6wpb 1 . 3 . 578 . 1 1 12 ALA HA H 13.631 4.461 5.007 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c30744_6wpb 1 . 3 . 579 . 1 1 12 ALA HB1 H 12.122 4.062 3.135 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 3 . 580 . 1 1 12 ALA HB2 H 13.008 2.591 3.524 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 3 . 581 . 1 1 12 ALA HB3 H 13.479 3.554 2.124 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 3 . 582 . 1 1 12 ALA N N 14.135 5.750 3.466 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c30744_6wpb 1 . 3 . 583 . 1 1 12 ALA O O 15.743 3.067 5.052 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c30744_6wpb 1 . 3 . 584 . 1 1 13 ALA C C 18.442 3.945 4.022 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c30744_6wpb 1 . 3 . 585 . 1 1 13 ALA CA C 17.524 3.381 2.939 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c30744_6wpb 1 . 3 . 586 . 1 1 13 ALA CB C 18.094 3.695 1.559 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c30744_6wpb 1 . 3 . 587 . 1 1 13 ALA H H 15.858 4.495 2.291 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c30744_6wpb 1 . 3 . 588 . 1 1 13 ALA HA H 17.462 2.314 3.055 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c30744_6wpb 1 . 3 . 589 . 1 1 13 ALA HB1 H 19.049 3.207 1.442 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 3 . 590 . 1 1 13 ALA HB2 H 18.220 4.764 1.452 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 3 . 591 . 1 1 13 ALA HB3 H 17.412 3.334 0.804 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 3 . 592 . 1 1 13 ALA N N 16.193 3.950 3.034 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c30744_6wpb 1 . 3 . 593 . 1 1 13 ALA O O 19.260 3.221 4.587 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c30744_6wpb 1 . 3 . 594 . 1 1 14 GLY C C 20.597 5.819 4.930 . . . 1.0 . . . . . . . . . . . . A . 14 GLY C . . . . . . . . . c30744_6wpb 1 . 3 . 595 . 1 1 14 GLY CA C 19.125 5.882 5.316 . . . 1.0 . . . . . . . . . . . . A . 14 GLY CA . . . . . . . . . c30744_6wpb 1 . 3 . 596 . 1 1 14 GLY H H 17.635 5.765 3.818 . . . 1.0 . . . . . . . . . . . . A . 14 GLY H . . . . . . . . . c30744_6wpb 1 . 3 . 597 . 1 1 14 GLY HA2 H 18.820 6.920 5.411 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA2 . . . . . . . . . c30744_6wpb 1 . 3 . 598 . 1 1 14 GLY HA3 H 18.982 5.384 6.260 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA3 . . . . . . . . . c30744_6wpb 1 . 3 . 599 . 1 1 14 GLY N N 18.304 5.237 4.301 . . . 1.0 . . . . . . . . . . . . A . 14 GLY N . . . . . . . . . c30744_6wpb 1 . 3 . 600 . 1 1 14 GLY O O 20.931 5.830 3.744 . . . 1.0 . . . . . . . . . . . . A . 14 GLY O . . . . . . . . . c30744_6wpb 1 . 3 . 601 . 1 1 15 NH2 HN1 H 21.245 5.740 6.805 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30744_6wpb 1 . 3 . 602 . 1 1 15 NH2 HN2 H 22.459 5.698 5.618 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c30744_6wpb 1 . 3 . 603 . 1 1 15 NH2 N N 21.508 5.746 5.862 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30744_6wpb 1 . 4 . 604 . 1 1 1 GLY C C 6.744 7.952 -9.218 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30744_6wpb 1 . 4 . 605 . 1 1 1 GLY CA C 5.339 8.446 -9.560 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30744_6wpb 1 . 4 . 606 . 1 1 1 GLY H1 H 5.868 8.681 -11.569 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30744_6wpb 1 . 4 . 607 . 1 1 1 GLY H2 H 5.831 10.132 -10.686 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c30744_6wpb 1 . 4 . 608 . 1 1 1 GLY H3 H 4.381 9.384 -11.156 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c30744_6wpb 1 . 4 . 609 . 1 1 1 GLY HA2 H 4.979 9.081 -8.767 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30744_6wpb 1 . 4 . 610 . 1 1 1 GLY HA3 H 4.679 7.596 -9.666 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30744_6wpb 1 . 4 . 611 . 1 1 1 GLY N N 5.357 9.218 -10.839 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30744_6wpb 1 . 4 . 612 . 1 1 1 GLY O O 7.012 7.567 -8.081 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30744_6wpb 1 . 4 . 613 . 1 1 2 ILE C C 9.708 8.359 -8.967 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . c30744_6wpb 1 . 4 . 614 . 1 1 2 ILE CA C 8.990 7.502 -10.014 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . c30744_6wpb 1 . 4 . 615 . 1 1 2 ILE CB C 9.707 7.578 -11.357 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . c30744_6wpb 1 . 4 . 616 . 1 1 2 ILE CD1 C 9.594 6.750 -13.704 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 4 . 617 . 1 1 2 ILE CG1 C 9.081 6.537 -12.288 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 4 . 618 . 1 1 2 ILE CG2 C 11.202 7.296 -11.192 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 4 . 619 . 1 1 2 ILE H H 7.353 8.268 -11.096 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . c30744_6wpb 1 . 4 . 620 . 1 1 2 ILE HA H 8.984 6.476 -9.695 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . c30744_6wpb 1 . 4 . 621 . 1 1 2 ILE HB H 9.570 8.560 -11.776 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . c30744_6wpb 1 . 4 . 622 . 1 1 2 ILE HD11 H 9.249 5.945 -14.335 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 4 . 623 . 1 1 2 ILE HD12 H 10.670 6.767 -13.692 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 4 . 624 . 1 1 2 ILE HD13 H 9.219 7.689 -14.080 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 4 . 625 . 1 1 2 ILE HG12 H 9.340 5.546 -11.951 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 4 . 626 . 1 1 2 ILE HG13 H 8.004 6.649 -12.277 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 4 . 627 . 1 1 2 ILE HG21 H 11.664 8.107 -10.650 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 4 . 628 . 1 1 2 ILE HG22 H 11.657 7.213 -12.169 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 4 . 629 . 1 1 2 ILE HG23 H 11.339 6.372 -10.652 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 4 . 630 . 1 1 2 ILE N N 7.627 7.961 -10.208 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . c30744_6wpb 1 . 4 . 631 . 1 1 2 ILE O O 10.398 7.839 -8.089 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . c30744_6wpb 1 . 4 . 632 . 1 1 3 LEU C C 9.670 10.353 -6.704 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c30744_6wpb 1 . 4 . 633 . 1 1 3 LEU CA C 10.148 10.603 -8.139 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c30744_6wpb 1 . 4 . 634 . 1 1 3 LEU CB C 9.784 12.029 -8.584 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c30744_6wpb 1 . 4 . 635 . 1 1 3 LEU CD1 C 10.474 11.584 -10.957 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c30744_6wpb 1 . 4 . 636 . 1 1 3 LEU CD2 C 10.434 13.915 -10.072 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c30744_6wpb 1 . 4 . 637 . 1 1 3 LEU CG C 10.716 12.462 -9.724 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c30744_6wpb 1 . 4 . 638 . 1 1 3 LEU H H 8.963 10.022 -9.788 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c30744_6wpb 1 . 4 . 639 . 1 1 3 LEU HA H 11.219 10.490 -8.174 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c30744_6wpb 1 . 4 . 640 . 1 1 3 LEU HB2 H 8.760 12.042 -8.933 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c30744_6wpb 1 . 4 . 641 . 1 1 3 LEU HB3 H 9.889 12.714 -7.754 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c30744_6wpb 1 . 4 . 642 . 1 1 3 LEU HD11 H 9.412 11.478 -11.124 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c30744_6wpb 1 . 4 . 643 . 1 1 3 LEU HD12 H 10.913 10.610 -10.800 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c30744_6wpb 1 . 4 . 644 . 1 1 3 LEU HD13 H 10.927 12.045 -11.825 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c30744_6wpb 1 . 4 . 645 . 1 1 3 LEU HD21 H 10.817 14.549 -9.290 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c30744_6wpb 1 . 4 . 646 . 1 1 3 LEU HD22 H 9.368 14.060 -10.166 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c30744_6wpb 1 . 4 . 647 . 1 1 3 LEU HD23 H 10.916 14.162 -11.006 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c30744_6wpb 1 . 4 . 648 . 1 1 3 LEU HG H 11.746 12.363 -9.410 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c30744_6wpb 1 . 4 . 649 . 1 1 3 LEU N N 9.528 9.669 -9.064 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c30744_6wpb 1 . 4 . 650 . 1 1 3 LEU O O 10.464 10.376 -5.764 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c30744_6wpb 1 . 4 . 651 . 1 1 4 ASP C C 8.345 8.596 -4.628 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30744_6wpb 1 . 4 . 652 . 1 1 4 ASP CA C 7.790 9.883 -5.248 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30744_6wpb 1 . 4 . 653 . 1 1 4 ASP CB C 6.264 9.781 -5.430 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30744_6wpb 1 . 4 . 654 . 1 1 4 ASP CG C 5.631 11.175 -5.418 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30744_6wpb 1 . 4 . 655 . 1 1 4 ASP H H 7.794 10.124 -7.343 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30744_6wpb 1 . 4 . 656 . 1 1 4 ASP HA H 8.018 10.702 -4.590 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30744_6wpb 1 . 4 . 657 . 1 1 4 ASP HB2 H 6.052 9.302 -6.371 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30744_6wpb 1 . 4 . 658 . 1 1 4 ASP HB3 H 5.836 9.193 -4.627 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30744_6wpb 1 . 4 . 659 . 1 1 4 ASP N N 8.378 10.120 -6.553 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30744_6wpb 1 . 4 . 660 . 1 1 4 ASP O O 8.613 8.540 -3.428 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30744_6wpb 1 . 4 . 661 . 1 1 4 ASP OD1 O 6.348 12.137 -5.178 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30744_6wpb 1 . 4 . 662 . 1 1 4 ASP OD2 O 4.444 11.264 -5.677 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30744_6wpb 1 . 4 . 663 . 1 1 5 ALA C C 10.471 6.441 -4.507 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c30744_6wpb 1 . 4 . 664 . 1 1 5 ALA CA C 9.030 6.301 -5.007 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c30744_6wpb 1 . 4 . 665 . 1 1 5 ALA CB C 8.968 5.316 -6.177 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c30744_6wpb 1 . 4 . 666 . 1 1 5 ALA H H 8.276 7.687 -6.406 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c30744_6wpb 1 . 4 . 667 . 1 1 5 ALA HA H 8.414 5.925 -4.207 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c30744_6wpb 1 . 4 . 668 . 1 1 5 ALA HB1 H 9.545 5.699 -7.005 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 4 . 669 . 1 1 5 ALA HB2 H 7.939 5.193 -6.479 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 4 . 670 . 1 1 5 ALA HB3 H 9.368 4.359 -5.870 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 4 . 671 . 1 1 5 ALA N N 8.516 7.578 -5.458 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c30744_6wpb 1 . 4 . 672 . 1 1 5 ALA O O 10.831 5.895 -3.469 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c30744_6wpb 1 . 4 . 673 . 1 1 6 ILE C C 12.784 8.129 -3.565 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c30744_6wpb 1 . 4 . 674 . 1 1 6 ILE CA C 12.669 7.393 -4.898 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c30744_6wpb 1 . 4 . 675 . 1 1 6 ILE CB C 13.322 8.208 -6.017 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c30744_6wpb 1 . 4 . 676 . 1 1 6 ILE CD1 C 13.721 8.223 -8.481 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 4 . 677 . 1 1 6 ILE CG1 C 13.392 7.341 -7.278 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 4 . 678 . 1 1 6 ILE CG2 C 14.732 8.643 -5.618 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 4 . 679 . 1 1 6 ILE H H 10.927 7.589 -6.073 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c30744_6wpb 1 . 4 . 680 . 1 1 6 ILE HA H 13.174 6.442 -4.822 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c30744_6wpb 1 . 4 . 681 . 1 1 6 ILE HB H 12.720 9.084 -6.219 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c30744_6wpb 1 . 4 . 682 . 1 1 6 ILE HD11 H 13.853 7.605 -9.356 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 4 . 683 . 1 1 6 ILE HD12 H 14.627 8.774 -8.285 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 4 . 684 . 1 1 6 ILE HD13 H 12.908 8.915 -8.651 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 4 . 685 . 1 1 6 ILE HG12 H 14.158 6.589 -7.158 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 4 . 686 . 1 1 6 ILE HG13 H 12.437 6.860 -7.438 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 4 . 687 . 1 1 6 ILE HG21 H 15.228 9.069 -6.479 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 4 . 688 . 1 1 6 ILE HG22 H 15.288 7.789 -5.268 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 4 . 689 . 1 1 6 ILE HG23 H 14.672 9.384 -4.836 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 4 . 690 . 1 1 6 ILE N N 11.276 7.177 -5.252 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c30744_6wpb 1 . 4 . 691 . 1 1 6 ILE O O 13.614 7.786 -2.724 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c30744_6wpb 1 . 4 . 692 . 1 1 7 LYS C C 11.771 9.059 -0.937 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30744_6wpb 1 . 4 . 693 . 1 1 7 LYS CA C 11.975 9.937 -2.177 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30744_6wpb 1 . 4 . 694 . 1 1 7 LYS CB C 10.847 10.970 -2.300 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30744_6wpb 1 . 4 . 695 . 1 1 7 LYS CD C 10.103 11.519 0.056 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30744_6wpb 1 . 4 . 696 . 1 1 7 LYS CE C 9.863 12.703 0.971 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30744_6wpb 1 . 4 . 697 . 1 1 7 LYS CG C 10.907 12.000 -1.162 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30744_6wpb 1 . 4 . 698 . 1 1 7 LYS H H 11.324 9.377 -4.105 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30744_6wpb 1 . 4 . 699 . 1 1 7 LYS HA H 12.914 10.458 -2.096 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30744_6wpb 1 . 4 . 700 . 1 1 7 LYS HB2 H 10.955 11.482 -3.251 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30744_6wpb 1 . 4 . 701 . 1 1 7 LYS HB3 H 9.896 10.461 -2.281 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30744_6wpb 1 . 4 . 702 . 1 1 7 LYS HD2 H 9.151 11.113 -0.261 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30744_6wpb 1 . 4 . 703 . 1 1 7 LYS HD3 H 10.663 10.769 0.586 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30744_6wpb 1 . 4 . 704 . 1 1 7 LYS HE2 H 9.041 13.293 0.590 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30744_6wpb 1 . 4 . 705 . 1 1 7 LYS HE3 H 9.629 12.355 1.966 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30744_6wpb 1 . 4 . 706 . 1 1 7 LYS HG2 H 11.936 12.156 -0.865 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30744_6wpb 1 . 4 . 707 . 1 1 7 LYS HG3 H 10.494 12.940 -1.510 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30744_6wpb 1 . 4 . 708 . 1 1 7 LYS HZ1 H 11.923 12.902 0.884 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30744_6wpb 1 . 4 . 709 . 1 1 7 LYS HZ2 H 11.160 14.022 1.908 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30744_6wpb 1 . 4 . 710 . 1 1 7 LYS HZ3 H 11.073 14.212 0.222 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30744_6wpb 1 . 4 . 711 . 1 1 7 LYS N N 11.961 9.146 -3.391 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30744_6wpb 1 . 4 . 712 . 1 1 7 LYS NZ N 11.098 13.524 1.000 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30744_6wpb 1 . 4 . 713 . 1 1 7 LYS O O 12.544 9.135 0.024 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30744_6wpb 1 . 4 . 714 . 1 1 8 ALA C C 11.555 6.334 0.364 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . c30744_6wpb 1 . 4 . 715 . 1 1 8 ALA CA C 10.428 7.343 0.137 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . c30744_6wpb 1 . 4 . 716 . 1 1 8 ALA CB C 9.116 6.620 -0.178 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . c30744_6wpb 1 . 4 . 717 . 1 1 8 ALA H H 10.162 8.216 -1.766 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . c30744_6wpb 1 . 4 . 718 . 1 1 8 ALA HA H 10.292 7.924 1.031 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . c30744_6wpb 1 . 4 . 719 . 1 1 8 ALA HB1 H 9.162 6.208 -1.174 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 4 . 720 . 1 1 8 ALA HB2 H 8.301 7.325 -0.115 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 4 . 721 . 1 1 8 ALA HB3 H 8.957 5.823 0.535 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 4 . 722 . 1 1 8 ALA N N 10.738 8.230 -0.972 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . c30744_6wpb 1 . 4 . 723 . 1 1 8 ALA O O 11.953 6.070 1.496 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . c30744_6wpb 1 . 4 . 724 . 1 1 9 ILE C C 14.404 5.425 -0.098 . . . 1.0 . . . . . . . . . . . . A . 9 ILE C . . . . . . . . . c30744_6wpb 1 . 4 . 725 . 1 1 9 ILE CA C 13.132 4.810 -0.684 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CA . . . . . . . . . c30744_6wpb 1 . 4 . 726 . 1 1 9 ILE CB C 13.376 4.309 -2.108 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CB . . . . . . . . . c30744_6wpb 1 . 4 . 727 . 1 1 9 ILE CD1 C 12.212 3.288 -4.067 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 4 . 728 . 1 1 9 ILE CG1 C 12.170 3.471 -2.553 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 4 . 729 . 1 1 9 ILE CG2 C 14.640 3.454 -2.169 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 4 . 730 . 1 1 9 ILE H H 11.685 6.044 -1.600 . . . 1.0 . . . . . . . . . . . . A . 9 ILE H . . . . . . . . . c30744_6wpb 1 . 4 . 731 . 1 1 9 ILE HA H 12.831 3.973 -0.071 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HA . . . . . . . . . c30744_6wpb 1 . 4 . 732 . 1 1 9 ILE HB H 13.485 5.157 -2.772 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HB . . . . . . . . . c30744_6wpb 1 . 4 . 733 . 1 1 9 ILE HD11 H 12.209 4.258 -4.546 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 4 . 734 . 1 1 9 ILE HD12 H 11.347 2.726 -4.388 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 4 . 735 . 1 1 9 ILE HD13 H 13.109 2.756 -4.339 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 4 . 736 . 1 1 9 ILE HG12 H 12.206 2.504 -2.069 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 4 . 737 . 1 1 9 ILE HG13 H 11.254 3.973 -2.274 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 4 . 738 . 1 1 9 ILE HG21 H 15.506 4.088 -2.055 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 4 . 739 . 1 1 9 ILE HG22 H 14.686 2.953 -3.125 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 4 . 740 . 1 1 9 ILE HG23 H 14.620 2.720 -1.378 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 4 . 741 . 1 1 9 ILE N N 12.054 5.784 -0.728 . . . 1.0 . . . . . . . . . . . . A . 9 ILE N . . . . . . . . . c30744_6wpb 1 . 4 . 742 . 1 1 9 ILE O O 15.088 4.801 0.712 . . . 1.0 . . . . . . . . . . . . A . 9 ILE O . . . . . . . . . c30744_6wpb 1 . 4 . 743 . 1 1 10 ALA C C 15.926 7.397 1.470 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c30744_6wpb 1 . 4 . 744 . 1 1 10 ALA CA C 15.895 7.341 -0.055 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c30744_6wpb 1 . 4 . 745 . 1 1 10 ALA CB C 15.879 8.757 -0.639 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c30744_6wpb 1 . 4 . 746 . 1 1 10 ALA H H 14.128 7.085 -1.177 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c30744_6wpb 1 . 4 . 747 . 1 1 10 ALA HA H 16.777 6.833 -0.407 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c30744_6wpb 1 . 4 . 748 . 1 1 10 ALA HB1 H 16.562 9.389 -0.088 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 4 . 749 . 1 1 10 ALA HB2 H 14.879 9.158 -0.570 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 4 . 750 . 1 1 10 ALA HB3 H 16.184 8.717 -1.673 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 4 . 751 . 1 1 10 ALA N N 14.714 6.642 -0.526 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c30744_6wpb 1 . 4 . 752 . 1 1 10 ALA O O 16.921 7.036 2.097 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c30744_6wpb 1 . 4 . 753 . 1 1 11 LYS C C 14.829 6.567 4.161 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c30744_6wpb 1 . 4 . 754 . 1 1 11 LYS CA C 14.717 7.938 3.497 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c30744_6wpb 1 . 4 . 755 . 1 1 11 LYS CB C 13.395 8.593 3.832 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c30744_6wpb 1 . 4 . 756 . 1 1 11 LYS CD C 12.249 10.767 3.929 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c30744_6wpb 1 . 4 . 757 . 1 1 11 LYS CE C 12.352 12.269 3.683 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c30744_6wpb 1 . 4 . 758 . 1 1 11 LYS CG C 13.489 10.072 3.443 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c30744_6wpb 1 . 4 . 759 . 1 1 11 LYS H H 14.057 8.112 1.490 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c30744_6wpb 1 . 4 . 760 . 1 1 11 LYS HA H 15.492 8.565 3.876 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c30744_6wpb 1 . 4 . 761 . 1 1 11 LYS HB2 H 12.612 8.114 3.262 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c30744_6wpb 1 . 4 . 762 . 1 1 11 LYS HB3 H 13.187 8.501 4.887 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c30744_6wpb 1 . 4 . 763 . 1 1 11 LYS HD2 H 11.385 10.374 3.411 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c30744_6wpb 1 . 4 . 764 . 1 1 11 LYS HD3 H 12.161 10.581 4.979 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c30744_6wpb 1 . 4 . 765 . 1 1 11 LYS HE2 H 13.197 12.669 4.228 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c30744_6wpb 1 . 4 . 766 . 1 1 11 LYS HE3 H 12.482 12.463 2.628 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c30744_6wpb 1 . 4 . 767 . 1 1 11 LYS HG2 H 14.354 10.527 3.901 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c30744_6wpb 1 . 4 . 768 . 1 1 11 LYS HG3 H 13.560 10.159 2.371 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c30744_6wpb 1 . 4 . 769 . 1 1 11 LYS HZ1 H 10.433 12.170 4.459 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c30744_6wpb 1 . 4 . 770 . 1 1 11 LYS HZ2 H 10.683 13.469 3.393 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c30744_6wpb 1 . 4 . 771 . 1 1 11 LYS HZ3 H 11.314 13.527 4.969 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c30744_6wpb 1 . 4 . 772 . 1 1 11 LYS N N 14.823 7.838 2.052 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c30744_6wpb 1 . 4 . 773 . 1 1 11 LYS NZ N 11.100 12.909 4.161 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c30744_6wpb 1 . 4 . 774 . 1 1 11 LYS O O 15.494 6.416 5.186 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c30744_6wpb 1 . 4 . 775 . 1 1 12 ALA C C 15.624 3.649 4.045 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c30744_6wpb 1 . 4 . 776 . 1 1 12 ALA CA C 14.206 4.228 4.069 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c30744_6wpb 1 . 4 . 777 . 1 1 12 ALA CB C 13.274 3.378 3.201 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c30744_6wpb 1 . 4 . 778 . 1 1 12 ALA H H 13.678 5.782 2.744 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c30744_6wpb 1 . 4 . 779 . 1 1 12 ALA HA H 13.842 4.216 5.077 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c30744_6wpb 1 . 4 . 780 . 1 1 12 ALA HB1 H 13.572 3.458 2.165 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 4 . 781 . 1 1 12 ALA HB2 H 12.264 3.738 3.316 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 4 . 782 . 1 1 12 ALA HB3 H 13.327 2.345 3.512 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 4 . 783 . 1 1 12 ALA N N 14.189 5.585 3.558 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c30744_6wpb 1 . 4 . 784 . 1 1 12 ALA O O 16.049 2.979 4.985 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c30744_6wpb 1 . 4 . 785 . 1 1 13 ALA C C 18.624 4.025 3.855 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c30744_6wpb 1 . 4 . 786 . 1 1 13 ALA CA C 17.693 3.439 2.792 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c30744_6wpb 1 . 4 . 787 . 1 1 13 ALA CB C 18.174 3.834 1.398 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c30744_6wpb 1 . 4 . 788 . 1 1 13 ALA H H 15.926 4.456 2.251 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c30744_6wpb 1 . 4 . 789 . 1 1 13 ALA HA H 17.703 2.366 2.871 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c30744_6wpb 1 . 4 . 790 . 1 1 13 ALA HB1 H 18.253 4.909 1.334 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 4 . 791 . 1 1 13 ALA HB2 H 17.463 3.479 0.666 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 4 . 792 . 1 1 13 ALA HB3 H 19.139 3.389 1.208 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 4 . 793 . 1 1 13 ALA N N 16.334 3.921 2.964 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c30744_6wpb 1 . 4 . 794 . 1 1 13 ALA O O 19.490 3.327 4.385 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c30744_6wpb 1 . 4 . 795 . 1 1 14 GLY C C 18.588 7.268 5.612 . . . 1.0 . . . . . . . . . . . . A . 14 GLY C . . . . . . . . . c30744_6wpb 1 . 4 . 796 . 1 1 14 GLY CA C 19.248 5.973 5.158 . . . 1.0 . . . . . . . . . . . . A . 14 GLY CA . . . . . . . . . c30744_6wpb 1 . 4 . 797 . 1 1 14 GLY H H 17.724 5.801 3.704 . . . 1.0 . . . . . . . . . . . . A . 14 GLY H . . . . . . . . . c30744_6wpb 1 . 4 . 798 . 1 1 14 GLY HA2 H 19.374 5.321 6.012 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA2 . . . . . . . . . c30744_6wpb 1 . 4 . 799 . 1 1 14 GLY HA3 H 20.215 6.201 4.740 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA3 . . . . . . . . . c30744_6wpb 1 . 4 . 800 . 1 1 14 GLY N N 18.430 5.301 4.162 . . . 1.0 . . . . . . . . . . . . A . 14 GLY N . . . . . . . . . c30744_6wpb 1 . 4 . 801 . 1 1 14 GLY O O 18.328 7.455 6.802 . . . 1.0 . . . . . . . . . . . . A . 14 GLY O . . . . . . . . . c30744_6wpb 1 . 4 . 802 . 1 1 15 NH2 HN1 H 18.508 8.021 3.782 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30744_6wpb 1 . 4 . 803 . 1 1 15 NH2 HN2 H 17.860 9.010 5.002 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c30744_6wpb 1 . 4 . 804 . 1 1 15 NH2 N N 18.295 8.177 4.725 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30744_6wpb 1 . 5 . 805 . 1 1 1 GLY C C 6.562 8.248 -9.083 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30744_6wpb 1 . 5 . 806 . 1 1 1 GLY CA C 5.165 8.810 -9.324 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30744_6wpb 1 . 5 . 807 . 1 1 1 GLY H1 H 4.394 10.742 -9.378 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30744_6wpb 1 . 5 . 808 . 1 1 1 GLY H2 H 5.362 10.346 -10.717 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c30744_6wpb 1 . 5 . 809 . 1 1 1 GLY H3 H 6.081 10.679 -9.214 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c30744_6wpb 1 . 5 . 810 . 1 1 1 GLY HA2 H 4.571 8.700 -8.429 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30744_6wpb 1 . 5 . 811 . 1 1 1 GLY HA3 H 4.701 8.268 -10.134 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30744_6wpb 1 . 5 . 812 . 1 1 1 GLY N N 5.259 10.253 -9.685 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30744_6wpb 1 . 5 . 813 . 1 1 1 GLY O O 6.872 7.767 -7.993 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30744_6wpb 1 . 5 . 814 . 1 1 2 ILE C C 9.559 8.548 -8.981 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . c30744_6wpb 1 . 5 . 815 . 1 1 2 ILE CA C 8.754 7.787 -10.026 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . c30744_6wpb 1 . 5 . 816 . 1 1 2 ILE CB C 9.411 7.907 -11.398 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . c30744_6wpb 1 . 5 . 817 . 1 1 2 ILE CD1 C 8.345 5.708 -12.075 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 5 . 818 . 1 1 2 ILE CG1 C 8.524 7.195 -12.428 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 5 . 819 . 1 1 2 ILE CG2 C 10.817 7.299 -11.392 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 5 . 820 . 1 1 2 ILE H H 7.083 8.689 -10.959 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . c30744_6wpb 1 . 5 . 821 . 1 1 2 ILE HA H 8.718 6.752 -9.754 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . c30744_6wpb 1 . 5 . 822 . 1 1 2 ILE HB H 9.481 8.949 -11.656 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . c30744_6wpb 1 . 5 . 823 . 1 1 2 ILE HD11 H 7.519 5.600 -11.387 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 5 . 824 . 1 1 2 ILE HD12 H 9.243 5.321 -11.619 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 5 . 825 . 1 1 2 ILE HD13 H 8.132 5.150 -12.975 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 5 . 826 . 1 1 2 ILE HG12 H 7.557 7.668 -12.431 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 5 . 827 . 1 1 2 ILE HG13 H 8.970 7.280 -13.407 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 5 . 828 . 1 1 2 ILE HG21 H 10.793 6.336 -10.903 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 5 . 829 . 1 1 2 ILE HG22 H 11.493 7.954 -10.864 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 5 . 830 . 1 1 2 ILE HG23 H 11.158 7.176 -12.411 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 5 . 831 . 1 1 2 ILE N N 7.394 8.302 -10.115 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . c30744_6wpb 1 . 5 . 832 . 1 1 2 ILE O O 10.266 7.954 -8.172 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . c30744_6wpb 1 . 5 . 833 . 1 1 3 LEU C C 9.741 10.387 -6.620 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c30744_6wpb 1 . 5 . 834 . 1 1 3 LEU CA C 10.157 10.711 -8.057 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c30744_6wpb 1 . 5 . 835 . 1 1 3 LEU CB C 9.832 12.171 -8.387 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c30744_6wpb 1 . 5 . 836 . 1 1 3 LEU CD1 C 10.860 14.443 -8.555 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c30744_6wpb 1 . 5 . 837 . 1 1 3 LEU CD2 C 10.536 13.420 -6.299 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c30744_6wpb 1 . 5 . 838 . 1 1 3 LEU CG C 10.870 13.130 -7.771 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c30744_6wpb 1 . 5 . 839 . 1 1 3 LEU H H 8.858 10.281 -9.671 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c30744_6wpb 1 . 5 . 840 . 1 1 3 LEU HA H 11.217 10.549 -8.169 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c30744_6wpb 1 . 5 . 841 . 1 1 3 LEU HB2 H 9.833 12.284 -9.464 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c30744_6wpb 1 . 5 . 842 . 1 1 3 LEU HB3 H 8.849 12.408 -8.011 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c30744_6wpb 1 . 5 . 843 . 1 1 3 LEU HD11 H 11.135 14.245 -9.581 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c30744_6wpb 1 . 5 . 844 . 1 1 3 LEU HD12 H 11.568 15.129 -8.118 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c30744_6wpb 1 . 5 . 845 . 1 1 3 LEU HD13 H 9.870 14.872 -8.523 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c30744_6wpb 1 . 5 . 846 . 1 1 3 LEU HD21 H 9.481 13.616 -6.190 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c30744_6wpb 1 . 5 . 847 . 1 1 3 LEU HD22 H 11.095 14.285 -5.970 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c30744_6wpb 1 . 5 . 848 . 1 1 3 LEU HD23 H 10.810 12.571 -5.693 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c30744_6wpb 1 . 5 . 849 . 1 1 3 LEU HG H 11.856 12.692 -7.838 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c30744_6wpb 1 . 5 . 850 . 1 1 3 LEU N N 9.440 9.865 -9.002 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c30744_6wpb 1 . 5 . 851 . 1 1 3 LEU O O 10.582 10.260 -5.728 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c30744_6wpb 1 . 5 . 852 . 1 1 4 ASP C C 8.424 8.603 -4.577 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30744_6wpb 1 . 5 . 853 . 1 1 4 ASP CA C 7.897 9.942 -5.088 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30744_6wpb 1 . 5 . 854 . 1 1 4 ASP CB C 6.373 9.903 -5.179 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30744_6wpb 1 . 5 . 855 . 1 1 4 ASP CG C 5.754 9.578 -3.823 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30744_6wpb 1 . 5 . 856 . 1 1 4 ASP H H 7.820 10.358 -7.162 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30744_6wpb 1 . 5 . 857 . 1 1 4 ASP HA H 8.182 10.719 -4.399 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30744_6wpb 1 . 5 . 858 . 1 1 4 ASP HB2 H 6.013 10.865 -5.514 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30744_6wpb 1 . 5 . 859 . 1 1 4 ASP HB3 H 6.087 9.150 -5.889 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30744_6wpb 1 . 5 . 860 . 1 1 4 ASP N N 8.437 10.248 -6.410 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30744_6wpb 1 . 5 . 861 . 1 1 4 ASP O O 8.791 8.471 -3.408 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30744_6wpb 1 . 5 . 862 . 1 1 4 ASP OD1 O 4.542 9.671 -3.715 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30744_6wpb 1 . 5 . 863 . 1 1 4 ASP OD2 O 6.495 9.231 -2.919 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30744_6wpb 1 . 5 . 864 . 1 1 5 ALA C C 10.407 6.312 -4.715 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c30744_6wpb 1 . 5 . 865 . 1 1 5 ALA CA C 8.930 6.284 -5.112 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c30744_6wpb 1 . 5 . 866 . 1 1 5 ALA CB C 8.742 5.358 -6.315 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c30744_6wpb 1 . 5 . 867 . 1 1 5 ALA H H 8.147 7.789 -6.377 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c30744_6wpb 1 . 5 . 868 . 1 1 5 ALA HA H 8.348 5.905 -4.286 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c30744_6wpb 1 . 5 . 869 . 1 1 5 ALA HB1 H 7.690 5.150 -6.448 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 5 . 870 . 1 1 5 ALA HB2 H 9.273 4.434 -6.148 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 5 . 871 . 1 1 5 ALA HB3 H 9.128 5.841 -7.202 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 5 . 872 . 1 1 5 ALA N N 8.456 7.617 -5.465 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c30744_6wpb 1 . 5 . 873 . 1 1 5 ALA O O 10.815 5.675 -3.744 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c30744_6wpb 1 . 5 . 874 . 1 1 6 ILE C C 12.896 7.829 -3.869 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c30744_6wpb 1 . 5 . 875 . 1 1 6 ILE CA C 12.631 7.171 -5.220 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c30744_6wpb 1 . 5 . 876 . 1 1 6 ILE CB C 13.252 8.003 -6.343 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c30744_6wpb 1 . 5 . 877 . 1 1 6 ILE CD1 C 13.466 8.127 -8.827 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 5 . 878 . 1 1 6 ILE CG1 C 13.188 7.202 -7.644 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 5 . 879 . 1 1 6 ILE CG2 C 14.710 8.337 -6.020 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 5 . 880 . 1 1 6 ILE H H 10.809 7.534 -6.238 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c30744_6wpb 1 . 5 . 881 . 1 1 6 ILE HA H 13.076 6.186 -5.228 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c30744_6wpb 1 . 5 . 882 . 1 1 6 ILE HB H 12.692 8.919 -6.458 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c30744_6wpb 1 . 5 . 883 . 1 1 6 ILE HD11 H 14.409 8.631 -8.677 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 5 . 884 . 1 1 6 ILE HD12 H 12.674 8.859 -8.903 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 5 . 885 . 1 1 6 ILE HD13 H 13.507 7.546 -9.735 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 5 . 886 . 1 1 6 ILE HG12 H 13.930 6.417 -7.617 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 5 . 887 . 1 1 6 ILE HG13 H 12.209 6.764 -7.752 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 5 . 888 . 1 1 6 ILE HG21 H 15.193 8.727 -6.904 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 5 . 889 . 1 1 6 ILE HG22 H 15.223 7.443 -5.695 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 5 . 890 . 1 1 6 ILE HG23 H 14.745 9.079 -5.235 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 5 . 891 . 1 1 6 ILE N N 11.197 7.054 -5.476 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c30744_6wpb 1 . 5 . 892 . 1 1 6 ILE O O 13.763 7.395 -3.109 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c30744_6wpb 1 . 5 . 893 . 1 1 7 LYS C C 12.013 8.713 -1.144 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30744_6wpb 1 . 5 . 894 . 1 1 7 LYS CA C 12.294 9.619 -2.342 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30744_6wpb 1 . 5 . 895 . 1 1 7 LYS CB C 11.320 10.805 -2.371 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30744_6wpb 1 . 5 . 896 . 1 1 7 LYS CD C 10.607 11.398 -0.031 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30744_6wpb 1 . 5 . 897 . 1 1 7 LYS CE C 10.801 12.363 1.131 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30744_6wpb 1 . 5 . 898 . 1 1 7 LYS CG C 11.553 11.758 -1.177 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30744_6wpb 1 . 5 . 899 . 1 1 7 LYS H H 11.480 9.179 -4.242 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30744_6wpb 1 . 5 . 900 . 1 1 7 LYS HA H 13.300 9.997 -2.266 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30744_6wpb 1 . 5 . 901 . 1 1 7 LYS HB2 H 11.462 11.347 -3.296 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30744_6wpb 1 . 5 . 902 . 1 1 7 LYS HB3 H 10.307 10.425 -2.342 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30744_6wpb 1 . 5 . 903 . 1 1 7 LYS HD2 H 9.585 11.458 -0.377 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30744_6wpb 1 . 5 . 904 . 1 1 7 LYS HD3 H 10.814 10.397 0.302 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30744_6wpb 1 . 5 . 905 . 1 1 7 LYS HE2 H 11.809 12.277 1.510 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30744_6wpb 1 . 5 . 906 . 1 1 7 LYS HE3 H 10.620 13.374 0.800 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30744_6wpb 1 . 5 . 907 . 1 1 7 LYS HG2 H 12.575 11.680 -0.835 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30744_6wpb 1 . 5 . 908 . 1 1 7 LYS HG3 H 11.357 12.777 -1.486 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30744_6wpb 1 . 5 . 909 . 1 1 7 LYS HZ1 H 8.890 11.864 1.778 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30744_6wpb 1 . 5 . 910 . 1 1 7 LYS HZ2 H 9.787 12.772 2.901 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30744_6wpb 1 . 5 . 911 . 1 1 7 LYS HZ3 H 10.134 11.125 2.662 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30744_6wpb 1 . 5 . 912 . 1 1 7 LYS N N 12.146 8.881 -3.588 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30744_6wpb 1 . 5 . 913 . 1 1 7 LYS NZ N 9.831 12.005 2.200 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30744_6wpb 1 . 5 . 914 . 1 1 7 LYS O O 12.743 8.734 -0.152 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30744_6wpb 1 . 5 . 915 . 1 1 8 ALA C C 11.661 6.002 0.119 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . c30744_6wpb 1 . 5 . 916 . 1 1 8 ALA CA C 10.563 7.026 -0.157 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . c30744_6wpb 1 . 5 . 917 . 1 1 8 ALA CB C 9.272 6.304 -0.549 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . c30744_6wpb 1 . 5 . 918 . 1 1 8 ALA H H 10.401 7.963 -2.052 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . c30744_6wpb 1 . 5 . 919 . 1 1 8 ALA HA H 10.384 7.599 0.736 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . c30744_6wpb 1 . 5 . 920 . 1 1 8 ALA HB1 H 9.414 5.809 -1.499 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 5 . 921 . 1 1 8 ALA HB2 H 8.471 7.023 -0.636 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 5 . 922 . 1 1 8 ALA HB3 H 9.021 5.575 0.204 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 5 . 923 . 1 1 8 ALA N N 10.946 7.929 -1.240 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . c30744_6wpb 1 . 5 . 924 . 1 1 8 ALA O O 11.982 5.706 1.271 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . c30744_6wpb 1 . 5 . 925 . 1 1 9 ILE C C 14.532 5.057 -0.213 . . . 1.0 . . . . . . . . . . . . A . 9 ILE C . . . . . . . . . c30744_6wpb 1 . 5 . 926 . 1 1 9 ILE CA C 13.281 4.474 -0.865 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CA . . . . . . . . . c30744_6wpb 1 . 5 . 927 . 1 1 9 ILE CB C 13.583 3.985 -2.283 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CB . . . . . . . . . c30744_6wpb 1 . 5 . 928 . 1 1 9 ILE CD1 C 12.482 2.992 -4.299 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 5 . 929 . 1 1 9 ILE CG1 C 12.370 3.200 -2.790 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 5 . 930 . 1 1 9 ILE CG2 C 14.821 3.086 -2.291 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 5 . 931 . 1 1 9 ILE H H 11.908 5.755 -1.835 . . . 1.0 . . . . . . . . . . . . A . 9 ILE H . . . . . . . . . c30744_6wpb 1 . 5 . 932 . 1 1 9 ILE HA H 12.934 3.636 -0.276 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HA . . . . . . . . . c30744_6wpb 1 . 5 . 933 . 1 1 9 ILE HB H 13.753 4.836 -2.925 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HB . . . . . . . . . c30744_6wpb 1 . 5 . 934 . 1 1 9 ILE HD11 H 13.465 2.615 -4.540 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 5 . 935 . 1 1 9 ILE HD12 H 12.323 3.933 -4.805 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 5 . 936 . 1 1 9 ILE HD13 H 11.735 2.281 -4.619 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 5 . 937 . 1 1 9 ILE HG12 H 12.333 2.241 -2.296 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 5 . 938 . 1 1 9 ILE HG13 H 11.468 3.749 -2.572 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 5 . 939 . 1 1 9 ILE HG21 H 15.702 3.683 -2.110 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 5 . 940 . 1 1 9 ILE HG22 H 14.907 2.604 -3.255 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 5 . 941 . 1 1 9 ILE HG23 H 14.729 2.335 -1.520 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 5 . 942 . 1 1 9 ILE N N 12.220 5.471 -0.953 . . . 1.0 . . . . . . . . . . . . A . 9 ILE N . . . . . . . . . c30744_6wpb 1 . 5 . 943 . 1 1 9 ILE O O 15.165 4.421 0.630 . . . 1.0 . . . . . . . . . . . . A . 9 ILE O . . . . . . . . . c30744_6wpb 1 . 5 . 944 . 1 1 10 ALA C C 15.907 7.201 1.417 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c30744_6wpb 1 . 5 . 945 . 1 1 10 ALA CA C 16.055 6.951 -0.079 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c30744_6wpb 1 . 5 . 946 . 1 1 10 ALA CB C 16.237 8.286 -0.802 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c30744_6wpb 1 . 5 . 947 . 1 1 10 ALA H H 14.336 6.724 -1.291 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c30744_6wpb 1 . 5 . 948 . 1 1 10 ALA HA H 16.926 6.341 -0.249 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c30744_6wpb 1 . 5 . 949 . 1 1 10 ALA HB1 H 17.125 8.778 -0.437 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 5 . 950 . 1 1 10 ALA HB2 H 15.376 8.912 -0.615 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 5 . 951 . 1 1 10 ALA HB3 H 16.330 8.110 -1.863 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 5 . 952 . 1 1 10 ALA N N 14.879 6.273 -0.615 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c30744_6wpb 1 . 5 . 953 . 1 1 10 ALA O O 16.855 7.046 2.187 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c30744_6wpb 1 . 5 . 954 . 1 1 11 LYS C C 14.637 6.653 4.079 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c30744_6wpb 1 . 5 . 955 . 1 1 11 LYS CA C 14.425 7.886 3.209 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c30744_6wpb 1 . 5 . 956 . 1 1 11 LYS CB C 12.983 8.358 3.311 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c30744_6wpb 1 . 5 . 957 . 1 1 11 LYS CD C 12.095 8.090 5.637 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c30744_6wpb 1 . 5 . 958 . 1 1 11 LYS CE C 11.855 8.765 6.979 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c30744_6wpb 1 . 5 . 959 . 1 1 11 LYS CG C 12.738 9.070 4.660 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c30744_6wpb 1 . 5 . 960 . 1 1 11 LYS H H 14.006 7.710 1.146 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c30744_6wpb 1 . 5 . 961 . 1 1 11 LYS HA H 15.064 8.677 3.550 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c30744_6wpb 1 . 5 . 962 . 1 1 11 LYS HB2 H 12.788 9.039 2.495 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c30744_6wpb 1 . 5 . 963 . 1 1 11 LYS HB3 H 12.326 7.504 3.220 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c30744_6wpb 1 . 5 . 964 . 1 1 11 LYS HD2 H 11.153 7.749 5.234 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c30744_6wpb 1 . 5 . 965 . 1 1 11 LYS HD3 H 12.753 7.246 5.774 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c30744_6wpb 1 . 5 . 966 . 1 1 11 LYS HE2 H 12.798 9.082 7.401 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c30744_6wpb 1 . 5 . 967 . 1 1 11 LYS HE3 H 11.208 9.620 6.847 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c30744_6wpb 1 . 5 . 968 . 1 1 11 LYS HG2 H 13.667 9.433 5.081 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c30744_6wpb 1 . 5 . 969 . 1 1 11 LYS HG3 H 12.082 9.898 4.503 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c30744_6wpb 1 . 5 . 970 . 1 1 11 LYS HZ1 H 11.679 6.862 7.792 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c30744_6wpb 1 . 5 . 971 . 1 1 11 LYS HZ2 H 10.202 7.684 7.624 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c30744_6wpb 1 . 5 . 972 . 1 1 11 LYS HZ3 H 11.280 8.110 8.868 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c30744_6wpb 1 . 5 . 973 . 1 1 11 LYS N N 14.713 7.599 1.813 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c30744_6wpb 1 . 5 . 974 . 1 1 11 LYS NZ N 11.204 7.782 7.886 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c30744_6wpb 1 . 5 . 975 . 1 1 11 LYS O O 15.250 6.721 5.146 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c30744_6wpb 1 . 5 . 976 . 1 1 12 ALA C C 15.690 3.822 4.410 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c30744_6wpb 1 . 5 . 977 . 1 1 12 ALA CA C 14.233 4.268 4.329 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c30744_6wpb 1 . 5 . 978 . 1 1 12 ALA CB C 13.407 3.201 3.609 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c30744_6wpb 1 . 5 . 979 . 1 1 12 ALA H H 13.639 5.562 2.755 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c30744_6wpb 1 . 5 . 980 . 1 1 12 ALA HA H 13.848 4.393 5.328 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c30744_6wpb 1 . 5 . 981 . 1 1 12 ALA HB1 H 13.427 2.283 4.175 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 5 . 982 . 1 1 12 ALA HB2 H 13.823 3.029 2.627 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 5 . 983 . 1 1 12 ALA HB3 H 12.387 3.543 3.511 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 5 . 984 . 1 1 12 ALA N N 14.117 5.534 3.608 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c30744_6wpb 1 . 5 . 985 . 1 1 12 ALA O O 16.141 3.293 5.428 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c30744_6wpb 1 . 5 . 986 . 1 1 13 ALA C C 18.663 4.433 4.244 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c30744_6wpb 1 . 5 . 987 . 1 1 13 ALA CA C 17.818 3.656 3.236 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c30744_6wpb 1 . 5 . 988 . 1 1 13 ALA CB C 18.324 3.923 1.817 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c30744_6wpb 1 . 5 . 989 . 1 1 13 ALA H H 15.985 4.453 2.547 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c30744_6wpb 1 . 5 . 990 . 1 1 13 ALA HA H 17.910 2.603 3.446 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c30744_6wpb 1 . 5 . 991 . 1 1 13 ALA HB1 H 17.964 4.885 1.484 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 5 . 992 . 1 1 13 ALA HB2 H 17.955 3.153 1.154 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 5 . 993 . 1 1 13 ALA HB3 H 19.404 3.919 1.806 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 5 . 994 . 1 1 13 ALA N N 16.412 4.035 3.320 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c30744_6wpb 1 . 5 . 995 . 1 1 13 ALA O O 19.600 3.895 4.832 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c30744_6wpb 1 . 5 . 996 . 1 1 14 GLY C C 18.352 7.890 5.543 . . . 1.0 . . . . . . . . . . . . A . 14 GLY C . . . . . . . . . c30744_6wpb 1 . 5 . 997 . 1 1 14 GLY CA C 19.057 6.551 5.366 . . . 1.0 . . . . . . . . . . . . A . 14 GLY CA . . . . . . . . . c30744_6wpb 1 . 5 . 998 . 1 1 14 GLY H H 17.573 6.072 3.931 . . . 1.0 . . . . . . . . . . . . A . 14 GLY H . . . . . . . . . c30744_6wpb 1 . 5 . 999 . 1 1 14 GLY HA2 H 19.123 6.053 6.323 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA2 . . . . . . . . . c30744_6wpb 1 . 5 . 1000 . 1 1 14 GLY HA3 H 20.053 6.724 4.986 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA3 . . . . . . . . . c30744_6wpb 1 . 5 . 1001 . 1 1 14 GLY N N 18.325 5.701 4.431 . . . 1.0 . . . . . . . . . . . . A . 14 GLY N . . . . . . . . . c30744_6wpb 1 . 5 . 1002 . 1 1 14 GLY O O 18.096 8.319 6.666 . . . 1.0 . . . . . . . . . . . . A . 14 GLY O . . . . . . . . . c30744_6wpb 1 . 5 . 1003 . 1 1 15 NH2 HN1 H 18.224 8.238 3.592 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30744_6wpb 1 . 5 . 1004 . 1 1 15 NH2 HN2 H 17.559 9.441 4.588 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c30744_6wpb 1 . 5 . 1005 . 1 1 15 NH2 N N 18.017 8.581 4.486 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30744_6wpb 1 . 6 . 1006 . 1 1 1 GLY C C 6.469 8.344 -9.099 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30744_6wpb 1 . 6 . 1007 . 1 1 1 GLY CA C 5.099 8.977 -9.324 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30744_6wpb 1 . 6 . 1008 . 1 1 1 GLY H1 H 3.741 8.838 -7.753 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30744_6wpb 1 . 6 . 1009 . 1 1 1 GLY H2 H 4.496 7.368 -8.150 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c30744_6wpb 1 . 6 . 1010 . 1 1 1 GLY H3 H 3.272 7.995 -9.149 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c30744_6wpb 1 . 6 . 1011 . 1 1 1 GLY HA2 H 4.846 8.931 -10.373 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30744_6wpb 1 . 6 . 1012 . 1 1 1 GLY HA3 H 5.125 10.007 -9.004 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30744_6wpb 1 . 6 . 1013 . 1 1 1 GLY N N 4.075 8.238 -8.535 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30744_6wpb 1 . 6 . 1014 . 1 1 1 GLY O O 6.769 7.851 -8.013 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30744_6wpb 1 . 6 . 1015 . 1 1 2 ILE C C 9.481 8.524 -9.024 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . c30744_6wpb 1 . 6 . 1016 . 1 1 2 ILE CA C 8.630 7.792 -10.065 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . c30744_6wpb 1 . 6 . 1017 . 1 1 2 ILE CB C 9.269 7.898 -11.436 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . c30744_6wpb 1 . 6 . 1018 . 1 1 2 ILE CD1 C 8.951 7.252 -13.821 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 6 . 1019 . 1 1 2 ILE CG1 C 8.513 6.972 -12.390 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 6 . 1020 . 1 1 2 ILE CG2 C 10.740 7.483 -11.369 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 6 . 1021 . 1 1 2 ILE H H 6.997 8.767 -10.981 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . c30744_6wpb 1 . 6 . 1022 . 1 1 2 ILE HA H 8.555 6.755 -9.803 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . c30744_6wpb 1 . 6 . 1023 . 1 1 2 ILE HB H 9.194 8.912 -11.785 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . c30744_6wpb 1 . 6 . 1024 . 1 1 2 ILE HD11 H 8.824 8.301 -14.036 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 6 . 1025 . 1 1 2 ILE HD12 H 8.351 6.667 -14.501 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 6 . 1026 . 1 1 2 ILE HD13 H 9.990 6.984 -13.934 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 6 . 1027 . 1 1 2 ILE HG12 H 8.727 5.946 -12.139 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 6 . 1028 . 1 1 2 ILE HG13 H 7.452 7.150 -12.300 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 6 . 1029 . 1 1 2 ILE HG21 H 11.117 7.342 -12.370 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 6 . 1030 . 1 1 2 ILE HG22 H 10.832 6.559 -10.816 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 6 . 1031 . 1 1 2 ILE HG23 H 11.310 8.256 -10.876 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 6 . 1032 . 1 1 2 ILE N N 7.294 8.365 -10.138 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . c30744_6wpb 1 . 6 . 1033 . 1 1 2 ILE O O 10.194 7.905 -8.238 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . c30744_6wpb 1 . 6 . 1034 . 1 1 3 LEU C C 9.739 10.372 -6.647 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c30744_6wpb 1 . 6 . 1035 . 1 1 3 LEU CA C 10.142 10.675 -8.089 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c30744_6wpb 1 . 6 . 1036 . 1 1 3 LEU CB C 9.863 12.137 -8.409 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c30744_6wpb 1 . 6 . 1037 . 1 1 3 LEU CD1 C 12.078 12.761 -7.368 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c30744_6wpb 1 . 6 . 1038 . 1 1 3 LEU CD2 C 10.347 14.502 -7.853 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c30744_6wpb 1 . 6 . 1039 . 1 1 3 LEU CG C 10.571 13.059 -7.408 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c30744_6wpb 1 . 6 . 1040 . 1 1 3 LEU H H 8.799 10.285 -9.677 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c30744_6wpb 1 . 6 . 1041 . 1 1 3 LEU HA H 11.194 10.489 -8.214 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c30744_6wpb 1 . 6 . 1042 . 1 1 3 LEU HB2 H 10.217 12.353 -9.406 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c30744_6wpb 1 . 6 . 1043 . 1 1 3 LEU HB3 H 8.798 12.312 -8.364 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c30744_6wpb 1 . 6 . 1044 . 1 1 3 LEU HD11 H 12.258 11.925 -6.709 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c30744_6wpb 1 . 6 . 1045 . 1 1 3 LEU HD12 H 12.611 13.626 -6.999 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c30744_6wpb 1 . 6 . 1046 . 1 1 3 LEU HD13 H 12.428 12.519 -8.361 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c30744_6wpb 1 . 6 . 1047 . 1 1 3 LEU HD21 H 10.954 15.162 -7.252 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c30744_6wpb 1 . 6 . 1048 . 1 1 3 LEU HD22 H 9.306 14.758 -7.732 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c30744_6wpb 1 . 6 . 1049 . 1 1 3 LEU HD23 H 10.626 14.600 -8.890 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c30744_6wpb 1 . 6 . 1050 . 1 1 3 LEU HG H 10.150 12.919 -6.425 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c30744_6wpb 1 . 6 . 1051 . 1 1 3 LEU N N 9.390 9.847 -9.028 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c30744_6wpb 1 . 6 . 1052 . 1 1 3 LEU O O 10.584 10.286 -5.755 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c30744_6wpb 1 . 6 . 1053 . 1 1 4 ASP C C 8.431 8.608 -4.567 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30744_6wpb 1 . 6 . 1054 . 1 1 4 ASP CA C 7.908 9.945 -5.099 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30744_6wpb 1 . 6 . 1055 . 1 1 4 ASP CB C 6.377 9.905 -5.174 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30744_6wpb 1 . 6 . 1056 . 1 1 4 ASP CG C 5.799 11.321 -5.178 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30744_6wpb 1 . 6 . 1057 . 1 1 4 ASP H H 7.814 10.312 -7.182 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30744_6wpb 1 . 6 . 1058 . 1 1 4 ASP HA H 8.210 10.729 -4.426 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30744_6wpb 1 . 6 . 1059 . 1 1 4 ASP HB2 H 6.081 9.399 -6.082 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30744_6wpb 1 . 6 . 1060 . 1 1 4 ASP HB3 H 5.986 9.365 -4.324 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30744_6wpb 1 . 6 . 1061 . 1 1 4 ASP N N 8.439 10.222 -6.430 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30744_6wpb 1 . 6 . 1062 . 1 1 4 ASP O O 8.797 8.496 -3.397 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30744_6wpb 1 . 6 . 1063 . 1 1 4 ASP OD1 O 4.602 11.444 -5.382 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30744_6wpb 1 . 6 . 1064 . 1 1 4 ASP OD2 O 6.555 12.259 -4.984 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30744_6wpb 1 . 6 . 1065 . 1 1 5 ALA C C 10.411 6.293 -4.681 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c30744_6wpb 1 . 6 . 1066 . 1 1 5 ALA CA C 8.924 6.273 -5.040 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c30744_6wpb 1 . 6 . 1067 . 1 1 5 ALA CB C 8.698 5.300 -6.194 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c30744_6wpb 1 . 6 . 1068 . 1 1 5 ALA H H 8.144 7.746 -6.350 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c30744_6wpb 1 . 6 . 1069 . 1 1 5 ALA HA H 8.357 5.936 -4.186 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c30744_6wpb 1 . 6 . 1070 . 1 1 5 ALA HB1 H 7.646 5.257 -6.429 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 6 . 1071 . 1 1 5 ALA HB2 H 9.047 4.317 -5.910 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 6 . 1072 . 1 1 5 ALA HB3 H 9.245 5.639 -7.062 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 6 . 1073 . 1 1 5 ALA N N 8.455 7.600 -5.431 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c30744_6wpb 1 . 6 . 1074 . 1 1 5 ALA O O 10.839 5.659 -3.719 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c30744_6wpb 1 . 6 . 1075 . 1 1 6 ILE C C 12.938 7.790 -3.913 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c30744_6wpb 1 . 6 . 1076 . 1 1 6 ILE CA C 12.632 7.123 -5.253 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c30744_6wpb 1 . 6 . 1077 . 1 1 6 ILE CB C 13.241 7.928 -6.397 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c30744_6wpb 1 . 6 . 1078 . 1 1 6 ILE CD1 C 13.417 8.012 -8.887 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 6 . 1079 . 1 1 6 ILE CG1 C 13.128 7.111 -7.687 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 6 . 1080 . 1 1 6 ILE CG2 C 14.714 8.229 -6.111 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 6 . 1081 . 1 1 6 ILE H H 10.789 7.500 -6.229 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c30744_6wpb 1 . 6 . 1082 . 1 1 6 ILE HA H 13.057 6.133 -5.259 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c30744_6wpb 1 . 6 . 1083 . 1 1 6 ILE HB H 12.699 8.857 -6.510 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c30744_6wpb 1 . 6 . 1084 . 1 1 6 ILE HD11 H 14.401 8.445 -8.785 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 6 . 1085 . 1 1 6 ILE HD12 H 12.680 8.800 -8.934 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 6 . 1086 . 1 1 6 ILE HD13 H 13.374 7.426 -9.794 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 6 . 1087 . 1 1 6 ILE HG12 H 13.845 6.302 -7.662 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 6 . 1088 . 1 1 6 ILE HG13 H 12.133 6.706 -7.773 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 6 . 1089 . 1 1 6 ILE HG21 H 14.787 8.962 -5.320 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 6 . 1090 . 1 1 6 ILE HG22 H 15.177 8.620 -7.005 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 6 . 1091 . 1 1 6 ILE HG23 H 15.218 7.323 -5.812 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 6 . 1092 . 1 1 6 ILE N N 11.190 7.021 -5.472 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c30744_6wpb 1 . 6 . 1093 . 1 1 6 ILE O O 13.809 7.344 -3.166 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c30744_6wpb 1 . 6 . 1094 . 1 1 7 LYS C C 12.107 8.680 -1.182 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30744_6wpb 1 . 6 . 1095 . 1 1 7 LYS CA C 12.393 9.584 -2.373 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30744_6wpb 1 . 6 . 1096 . 1 1 7 LYS CB C 11.448 10.787 -2.363 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30744_6wpb 1 . 6 . 1097 . 1 1 7 LYS CD C 10.662 11.335 -0.027 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30744_6wpb 1 . 6 . 1098 . 1 1 7 LYS CE C 10.963 12.156 1.224 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30744_6wpb 1 . 6 . 1099 . 1 1 7 LYS CG C 11.693 11.664 -1.111 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30744_6wpb 1 . 6 . 1100 . 1 1 7 LYS H H 11.529 9.163 -4.254 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30744_6wpb 1 . 6 . 1101 . 1 1 7 LYS HA H 13.404 9.936 -2.306 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30744_6wpb 1 . 6 . 1102 . 1 1 7 LYS HB2 H 11.622 11.373 -3.258 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30744_6wpb 1 . 6 . 1103 . 1 1 7 LYS HB3 H 10.426 10.433 -2.372 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30744_6wpb 1 . 6 . 1104 . 1 1 7 LYS HD2 H 9.672 11.576 -0.389 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30744_6wpb 1 . 6 . 1105 . 1 1 7 LYS HD3 H 10.713 10.286 0.209 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30744_6wpb 1 . 6 . 1106 . 1 1 7 LYS HE2 H 10.266 11.893 2.006 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30744_6wpb 1 . 6 . 1107 . 1 1 7 LYS HE3 H 11.971 11.950 1.553 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30744_6wpb 1 . 6 . 1108 . 1 1 7 LYS HG2 H 12.686 11.489 -0.719 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30744_6wpb 1 . 6 . 1109 . 1 1 7 LYS HG3 H 11.600 12.708 -1.378 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30744_6wpb 1 . 6 . 1110 . 1 1 7 LYS HZ1 H 10.807 14.155 1.783 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30744_6wpb 1 . 6 . 1111 . 1 1 7 LYS HZ2 H 9.954 13.760 0.368 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30744_6wpb 1 . 6 . 1112 . 1 1 7 LYS HZ3 H 11.645 13.906 0.330 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30744_6wpb 1 . 6 . 1113 . 1 1 7 LYS N N 12.211 8.856 -3.619 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30744_6wpb 1 . 6 . 1114 . 1 1 7 LYS NZ N 10.832 13.604 0.903 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30744_6wpb 1 . 6 . 1115 . 1 1 7 LYS O O 12.844 8.676 -0.195 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30744_6wpb 1 . 6 . 1116 . 1 1 8 ALA C C 11.718 5.981 0.065 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . c30744_6wpb 1 . 6 . 1117 . 1 1 8 ALA CA C 10.628 7.012 -0.218 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . c30744_6wpb 1 . 6 . 1118 . 1 1 8 ALA CB C 9.348 6.297 -0.636 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . c30744_6wpb 1 . 6 . 1119 . 1 1 8 ALA H H 10.481 7.973 -2.096 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . c30744_6wpb 1 . 6 . 1120 . 1 1 8 ALA HA H 10.434 7.580 0.674 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . c30744_6wpb 1 . 6 . 1121 . 1 1 8 ALA HB1 H 8.963 5.730 0.198 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 6 . 1122 . 1 1 8 ALA HB2 H 9.563 5.627 -1.458 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 6 . 1123 . 1 1 8 ALA HB3 H 8.614 7.025 -0.950 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 6 . 1124 . 1 1 8 ALA N N 11.029 7.920 -1.284 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . c30744_6wpb 1 . 6 . 1125 . 1 1 8 ALA O O 12.028 5.682 1.218 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . c30744_6wpb 1 . 6 . 1126 . 1 1 9 ILE C C 14.589 5.031 -0.222 . . . 1.0 . . . . . . . . . . . . A . 9 ILE C . . . . . . . . . c30744_6wpb 1 . 6 . 1127 . 1 1 9 ILE CA C 13.344 4.446 -0.892 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CA . . . . . . . . . c30744_6wpb 1 . 6 . 1128 . 1 1 9 ILE CB C 13.677 3.944 -2.295 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CB . . . . . . . . . c30744_6wpb 1 . 6 . 1129 . 1 1 9 ILE CD1 C 12.638 2.910 -4.326 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 6 . 1130 . 1 1 9 ILE CG1 C 12.481 3.146 -2.824 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 6 . 1131 . 1 1 9 ILE CG2 C 14.922 3.052 -2.267 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 6 . 1132 . 1 1 9 ILE H H 11.991 5.729 -1.889 . . . 1.0 . . . . . . . . . . . . A . 9 ILE H . . . . . . . . . c30744_6wpb 1 . 6 . 1133 . 1 1 9 ILE HA H 12.984 3.618 -0.302 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HA . . . . . . . . . c30744_6wpb 1 . 6 . 1134 . 1 1 9 ILE HB H 13.857 4.790 -2.943 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HB . . . . . . . . . c30744_6wpb 1 . 6 . 1135 . 1 1 9 ILE HD11 H 12.504 3.844 -4.853 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 6 . 1136 . 1 1 9 ILE HD12 H 11.895 2.200 -4.658 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 6 . 1137 . 1 1 9 ILE HD13 H 13.623 2.520 -4.530 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 6 . 1138 . 1 1 9 ILE HG12 H 12.433 2.193 -2.313 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 6 . 1139 . 1 1 9 ILE HG13 H 11.571 3.696 -2.642 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 6 . 1140 . 1 1 9 ILE HG21 H 14.815 2.304 -1.495 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 6 . 1141 . 1 1 9 ILE HG22 H 15.795 3.657 -2.067 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 6 . 1142 . 1 1 9 ILE HG23 H 15.034 2.568 -3.225 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 6 . 1143 . 1 1 9 ILE N N 12.288 5.446 -1.000 . . . 1.0 . . . . . . . . . . . . A . 9 ILE N . . . . . . . . . c30744_6wpb 1 . 6 . 1144 . 1 1 9 ILE O O 15.205 4.396 0.634 . . . 1.0 . . . . . . . . . . . . A . 9 ILE O . . . . . . . . . c30744_6wpb 1 . 6 . 1145 . 1 1 10 ALA C C 15.921 7.161 1.442 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c30744_6wpb 1 . 6 . 1146 . 1 1 10 ALA CA C 16.116 6.910 -0.051 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c30744_6wpb 1 . 6 . 1147 . 1 1 10 ALA CB C 16.337 8.242 -0.763 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c30744_6wpb 1 . 6 . 1148 . 1 1 10 ALA H H 14.421 6.707 -1.300 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c30744_6wpb 1 . 6 . 1149 . 1 1 10 ALA HA H 16.981 6.288 -0.196 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c30744_6wpb 1 . 6 . 1150 . 1 1 10 ALA HB1 H 16.245 8.098 -1.828 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 6 . 1151 . 1 1 10 ALA HB2 H 17.323 8.615 -0.530 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 6 . 1152 . 1 1 10 ALA HB3 H 15.594 8.953 -0.433 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 6 . 1153 . 1 1 10 ALA N N 14.950 6.246 -0.616 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c30744_6wpb 1 . 6 . 1154 . 1 1 10 ALA O O 16.849 7.023 2.240 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c30744_6wpb 1 . 6 . 1155 . 1 1 11 LYS C C 14.578 6.586 4.067 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c30744_6wpb 1 . 6 . 1156 . 1 1 11 LYS CA C 14.360 7.812 3.189 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c30744_6wpb 1 . 6 . 1157 . 1 1 11 LYS CB C 12.903 8.235 3.257 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c30744_6wpb 1 . 6 . 1158 . 1 1 11 LYS CD C 11.292 9.661 4.493 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c30744_6wpb 1 . 6 . 1159 . 1 1 11 LYS CE C 10.161 8.631 4.459 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c30744_6wpb 1 . 6 . 1160 . 1 1 11 LYS CG C 12.642 8.973 4.573 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c30744_6wpb 1 . 6 . 1161 . 1 1 11 LYS H H 14.012 7.625 1.111 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c30744_6wpb 1 . 6 . 1162 . 1 1 11 LYS HA H 14.962 8.621 3.545 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c30744_6wpb 1 . 6 . 1163 . 1 1 11 LYS HB2 H 12.686 8.878 2.419 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c30744_6wpb 1 . 6 . 1164 . 1 1 11 LYS HB3 H 12.270 7.360 3.206 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c30744_6wpb 1 . 6 . 1165 . 1 1 11 LYS HD2 H 11.166 10.309 5.347 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c30744_6wpb 1 . 6 . 1166 . 1 1 11 LYS HD3 H 11.273 10.248 3.592 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c30744_6wpb 1 . 6 . 1167 . 1 1 11 LYS HE2 H 10.109 8.184 3.478 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c30744_6wpb 1 . 6 . 1168 . 1 1 11 LYS HE3 H 10.349 7.866 5.197 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c30744_6wpb 1 . 6 . 1169 . 1 1 11 LYS HG2 H 12.644 8.265 5.385 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c30744_6wpb 1 . 6 . 1170 . 1 1 11 LYS HG3 H 13.406 9.717 4.744 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c30744_6wpb 1 . 6 . 1171 . 1 1 11 LYS HZ1 H 8.193 8.615 5.135 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c30744_6wpb 1 . 6 . 1172 . 1 1 11 LYS HZ2 H 8.489 9.738 3.895 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c30744_6wpb 1 . 6 . 1173 . 1 1 11 LYS HZ3 H 9.027 10.050 5.476 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c30744_6wpb 1 . 6 . 1174 . 1 1 11 LYS N N 14.703 7.533 1.800 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c30744_6wpb 1 . 6 . 1175 . 1 1 11 LYS NZ N 8.869 9.309 4.765 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c30744_6wpb 1 . 6 . 1176 . 1 1 11 LYS O O 15.155 6.668 5.152 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c30744_6wpb 1 . 6 . 1177 . 1 1 12 ALA C C 15.710 3.806 4.433 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c30744_6wpb 1 . 6 . 1178 . 1 1 12 ALA CA C 14.243 4.198 4.300 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c30744_6wpb 1 . 6 . 1179 . 1 1 12 ALA CB C 13.492 3.096 3.553 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c30744_6wpb 1 . 6 . 1180 . 1 1 12 ALA H H 13.658 5.465 2.706 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c30744_6wpb 1 . 6 . 1181 . 1 1 12 ALA HA H 13.815 4.307 5.280 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c30744_6wpb 1 . 6 . 1182 . 1 1 12 ALA HB1 H 12.433 3.306 3.572 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 6 . 1183 . 1 1 12 ALA HB2 H 13.683 2.145 4.027 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 6 . 1184 . 1 1 12 ALA HB3 H 13.832 3.063 2.529 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 6 . 1185 . 1 1 12 ALA N N 14.109 5.455 3.577 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c30744_6wpb 1 . 6 . 1186 . 1 1 12 ALA O O 16.145 3.302 5.470 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c30744_6wpb 1 . 6 . 1187 . 1 1 13 ALA C C 18.662 4.532 4.364 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c30744_6wpb 1 . 6 . 1188 . 1 1 13 ALA CA C 17.880 3.704 3.346 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c30744_6wpb 1 . 6 . 1189 . 1 1 13 ALA CB C 18.441 3.959 1.946 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c30744_6wpb 1 . 6 . 1190 . 1 1 13 ALA H H 16.053 4.431 2.571 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c30744_6wpb 1 . 6 . 1191 . 1 1 13 ALA HA H 17.997 2.662 3.581 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c30744_6wpb 1 . 6 . 1192 . 1 1 13 ALA HB1 H 17.778 3.531 1.211 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 6 . 1193 . 1 1 13 ALA HB2 H 19.417 3.506 1.860 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 6 . 1194 . 1 1 13 ALA HB3 H 18.522 5.024 1.778 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 6 . 1195 . 1 1 13 ALA N N 16.462 4.036 3.367 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c30744_6wpb 1 . 6 . 1196 . 1 1 13 ALA O O 19.589 4.035 5.007 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c30744_6wpb 1 . 6 . 1197 . 1 1 14 GLY C C 20.432 6.849 5.070 . . . 1.0 . . . . . . . . . . . . A . 14 GLY C . . . . . . . . . c30744_6wpb 1 . 6 . 1198 . 1 1 14 GLY CA C 18.961 6.685 5.438 . . . 1.0 . . . . . . . . . . . . A . 14 GLY CA . . . . . . . . . c30744_6wpb 1 . 6 . 1199 . 1 1 14 GLY H H 17.546 6.138 3.962 . . . 1.0 . . . . . . . . . . . . A . 14 GLY H . . . . . . . . . c30744_6wpb 1 . 6 . 1200 . 1 1 14 GLY HA2 H 18.477 7.653 5.419 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA2 . . . . . . . . . c30744_6wpb 1 . 6 . 1201 . 1 1 14 GLY HA3 H 18.889 6.272 6.430 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA3 . . . . . . . . . c30744_6wpb 1 . 6 . 1202 . 1 1 14 GLY N N 18.287 5.796 4.500 . . . 1.0 . . . . . . . . . . . . A . 14 GLY N . . . . . . . . . c30744_6wpb 1 . 6 . 1203 . 1 1 14 GLY O O 20.756 7.429 4.032 . . . 1.0 . . . . . . . . . . . . A . 14 GLY O . . . . . . . . . c30744_6wpb 1 . 6 . 1204 . 1 1 15 NH2 HN1 H 21.093 5.907 6.689 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30744_6wpb 1 . 6 . 1205 . 1 1 15 NH2 HN2 H 22.300 6.471 5.635 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c30744_6wpb 1 . 6 . 1206 . 1 1 15 NH2 N N 21.350 6.368 5.863 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30744_6wpb 1 . 7 . 1207 . 1 1 1 GLY C C 6.525 8.307 -9.104 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30744_6wpb 1 . 7 . 1208 . 1 1 1 GLY CA C 5.142 8.901 -9.324 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30744_6wpb 1 . 7 . 1209 . 1 1 1 GLY H1 H 4.010 10.462 -8.541 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30744_6wpb 1 . 7 . 1210 . 1 1 1 GLY H2 H 5.689 10.715 -8.474 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c30744_6wpb 1 . 7 . 1211 . 1 1 1 GLY H3 H 4.945 9.637 -7.391 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c30744_6wpb 1 . 7 . 1212 . 1 1 1 GLY HA2 H 4.390 8.137 -9.168 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30744_6wpb 1 . 7 . 1213 . 1 1 1 GLY HA3 H 5.073 9.274 -10.335 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30744_6wpb 1 . 7 . 1214 . 1 1 1 GLY N N 4.930 10.013 -8.360 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30744_6wpb 1 . 7 . 1215 . 1 1 1 GLY O O 6.836 7.822 -8.017 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30744_6wpb 1 . 7 . 1216 . 1 1 2 ILE C C 9.521 8.537 -9.034 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . c30744_6wpb 1 . 7 . 1217 . 1 1 2 ILE CA C 8.691 7.796 -10.074 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . c30744_6wpb 1 . 7 . 1218 . 1 1 2 ILE CB C 9.327 7.905 -11.460 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . c30744_6wpb 1 . 7 . 1219 . 1 1 2 ILE CD1 C 8.664 5.499 -12.006 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 7 . 1220 . 1 1 2 ILE CG1 C 8.564 6.981 -12.424 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 7 . 1221 . 1 1 2 ILE CG2 C 10.806 7.519 -11.423 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 7 . 1222 . 1 1 2 ILE H H 7.037 8.739 -10.987 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . c30744_6wpb 1 . 7 . 1223 . 1 1 2 ILE HA H 8.635 6.760 -9.800 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . c30744_6wpb 1 . 7 . 1224 . 1 1 2 ILE HB H 9.239 8.921 -11.805 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . c30744_6wpb 1 . 7 . 1225 . 1 1 2 ILE HD11 H 7.819 5.246 -11.380 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 7 . 1226 . 1 1 2 ILE HD12 H 9.578 5.320 -11.458 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 7 . 1227 . 1 1 2 ILE HD13 H 8.649 4.876 -12.890 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 7 . 1228 . 1 1 2 ILE HG12 H 7.526 7.271 -12.420 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 7 . 1229 . 1 1 2 ILE HG13 H 8.963 7.099 -13.420 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 7 . 1230 . 1 1 2 ILE HG21 H 11.170 7.407 -12.435 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 7 . 1231 . 1 1 2 ILE HG22 H 10.919 6.584 -10.897 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 7 . 1232 . 1 1 2 ILE HG23 H 11.370 8.289 -10.920 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 7 . 1233 . 1 1 2 ILE N N 7.346 8.345 -10.145 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . c30744_6wpb 1 . 7 . 1234 . 1 1 2 ILE O O 10.229 7.922 -8.241 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . c30744_6wpb 1 . 7 . 1235 . 1 1 3 LEU C C 9.747 10.390 -6.666 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c30744_6wpb 1 . 7 . 1236 . 1 1 3 LEU CA C 10.155 10.688 -8.107 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c30744_6wpb 1 . 7 . 1237 . 1 1 3 LEU CB C 9.872 12.154 -8.451 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c30744_6wpb 1 . 7 . 1238 . 1 1 3 LEU CD1 C 10.079 13.704 -10.409 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c30744_6wpb 1 . 7 . 1239 . 1 1 3 LEU CD2 C 12.119 13.087 -9.119 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c30744_6wpb 1 . 7 . 1240 . 1 1 3 LEU CG C 10.764 12.584 -9.637 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c30744_6wpb 1 . 7 . 1241 . 1 1 3 LEU H H 8.832 10.285 -9.701 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c30744_6wpb 1 . 7 . 1242 . 1 1 3 LEU HA H 11.213 10.503 -8.221 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c30744_6wpb 1 . 7 . 1243 . 1 1 3 LEU HB2 H 8.825 12.253 -8.723 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c30744_6wpb 1 . 7 . 1244 . 1 1 3 LEU HB3 H 10.077 12.781 -7.596 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c30744_6wpb 1 . 7 . 1245 . 1 1 3 LEU HD11 H 9.896 14.532 -9.745 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c30744_6wpb 1 . 7 . 1246 . 1 1 3 LEU HD12 H 9.143 13.338 -10.800 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c30744_6wpb 1 . 7 . 1247 . 1 1 3 LEU HD13 H 10.714 14.021 -11.222 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c30744_6wpb 1 . 7 . 1248 . 1 1 3 LEU HD21 H 11.958 13.905 -8.433 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c30744_6wpb 1 . 7 . 1249 . 1 1 3 LEU HD22 H 12.721 13.426 -9.949 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c30744_6wpb 1 . 7 . 1250 . 1 1 3 LEU HD23 H 12.632 12.284 -8.606 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c30744_6wpb 1 . 7 . 1251 . 1 1 3 LEU HG H 10.922 11.744 -10.301 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c30744_6wpb 1 . 7 . 1252 . 1 1 3 LEU N N 9.418 9.856 -9.045 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c30744_6wpb 1 . 7 . 1253 . 1 1 3 LEU O O 10.593 10.306 -5.774 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c30744_6wpb 1 . 7 . 1254 . 1 1 4 ASP C C 8.430 8.625 -4.598 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30744_6wpb 1 . 7 . 1255 . 1 1 4 ASP CA C 7.910 9.956 -5.133 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30744_6wpb 1 . 7 . 1256 . 1 1 4 ASP CB C 6.385 9.931 -5.229 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30744_6wpb 1 . 7 . 1257 . 1 1 4 ASP CG C 5.760 9.645 -3.873 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30744_6wpb 1 . 7 . 1258 . 1 1 4 ASP H H 7.829 10.319 -7.210 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30744_6wpb 1 . 7 . 1259 . 1 1 4 ASP HA H 8.198 10.745 -4.458 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30744_6wpb 1 . 7 . 1260 . 1 1 4 ASP HB2 H 6.042 10.892 -5.582 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30744_6wpb 1 . 7 . 1261 . 1 1 4 ASP HB3 H 6.087 9.169 -5.930 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30744_6wpb 1 . 7 . 1262 . 1 1 4 ASP N N 8.447 10.235 -6.455 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30744_6wpb 1 . 7 . 1263 . 1 1 4 ASP O O 8.792 8.515 -3.426 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30744_6wpb 1 . 7 . 1264 . 1 1 4 ASP OD1 O 4.546 9.733 -3.779 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30744_6wpb 1 . 7 . 1265 . 1 1 4 ASP OD2 O 6.495 9.343 -2.949 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30744_6wpb 1 . 7 . 1266 . 1 1 5 ALA C C 10.391 6.315 -4.699 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c30744_6wpb 1 . 7 . 1267 . 1 1 5 ALA CA C 8.915 6.293 -5.097 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c30744_6wpb 1 . 7 . 1268 . 1 1 5 ALA CB C 8.708 5.353 -6.287 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c30744_6wpb 1 . 7 . 1269 . 1 1 5 ALA H H 8.145 7.777 -6.383 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c30744_6wpb 1 . 7 . 1270 . 1 1 5 ALA HA H 8.331 5.932 -4.264 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c30744_6wpb 1 . 7 . 1271 . 1 1 5 ALA HB1 H 8.781 4.330 -5.959 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 7 . 1272 . 1 1 5 ALA HB2 H 9.458 5.547 -7.041 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 7 . 1273 . 1 1 5 ALA HB3 H 7.727 5.527 -6.707 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 7 . 1274 . 1 1 5 ALA N N 8.453 7.622 -5.469 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c30744_6wpb 1 . 7 . 1275 . 1 1 5 ALA O O 10.786 5.689 -3.717 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c30744_6wpb 1 . 7 . 1276 . 1 1 6 ILE C C 12.888 7.802 -3.866 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c30744_6wpb 1 . 7 . 1277 . 1 1 6 ILE CA C 12.621 7.142 -5.216 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c30744_6wpb 1 . 7 . 1278 . 1 1 6 ILE CB C 13.245 7.963 -6.347 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c30744_6wpb 1 . 7 . 1279 . 1 1 6 ILE CD1 C 13.487 8.055 -8.829 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 7 . 1280 . 1 1 6 ILE CG1 C 13.170 7.150 -7.639 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 7 . 1281 . 1 1 6 ILE CG2 C 14.704 8.292 -6.033 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 7 . 1282 . 1 1 6 ILE H H 10.812 7.510 -6.240 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c30744_6wpb 1 . 7 . 1283 . 1 1 6 ILE HA H 13.060 6.153 -5.220 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c30744_6wpb 1 . 7 . 1284 . 1 1 6 ILE HB H 12.691 8.885 -6.471 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c30744_6wpb 1 . 7 . 1285 . 1 1 6 ILE HD11 H 12.760 8.853 -8.877 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 7 . 1286 . 1 1 6 ILE HD12 H 13.452 7.479 -9.741 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 7 . 1287 . 1 1 6 ILE HD13 H 14.474 8.476 -8.705 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 7 . 1288 . 1 1 6 ILE HG12 H 13.884 6.340 -7.600 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 7 . 1289 . 1 1 6 ILE HG13 H 12.176 6.746 -7.754 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 7 . 1290 . 1 1 6 ILE HG21 H 15.215 7.399 -5.709 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 7 . 1291 . 1 1 6 ILE HG22 H 14.744 9.036 -5.251 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 7 . 1292 . 1 1 6 ILE HG23 H 15.182 8.678 -6.922 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 7 . 1293 . 1 1 6 ILE N N 11.191 7.037 -5.471 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c30744_6wpb 1 . 7 . 1294 . 1 1 6 ILE O O 13.746 7.356 -3.103 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c30744_6wpb 1 . 7 . 1295 . 1 1 7 LYS C C 12.023 8.698 -1.145 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30744_6wpb 1 . 7 . 1296 . 1 1 7 LYS CA C 12.302 9.600 -2.343 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30744_6wpb 1 . 7 . 1297 . 1 1 7 LYS CB C 11.333 10.787 -2.374 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30744_6wpb 1 . 7 . 1298 . 1 1 7 LYS CD C 10.612 11.384 -0.049 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30744_6wpb 1 . 7 . 1299 . 1 1 7 LYS CE C 10.804 12.334 1.121 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30744_6wpb 1 . 7 . 1300 . 1 1 7 LYS CG C 11.570 11.741 -1.179 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30744_6wpb 1 . 7 . 1301 . 1 1 7 LYS H H 11.486 9.168 -4.242 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30744_6wpb 1 . 7 . 1302 . 1 1 7 LYS HA H 13.311 9.976 -2.269 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30744_6wpb 1 . 7 . 1303 . 1 1 7 LYS HB2 H 11.481 11.328 -3.298 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30744_6wpb 1 . 7 . 1304 . 1 1 7 LYS HB3 H 10.318 10.414 -2.347 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30744_6wpb 1 . 7 . 1305 . 1 1 7 LYS HD2 H 9.595 11.460 -0.401 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30744_6wpb 1 . 7 . 1306 . 1 1 7 LYS HD3 H 10.806 10.380 0.280 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30744_6wpb 1 . 7 . 1307 . 1 1 7 LYS HE2 H 11.808 12.241 1.505 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30744_6wpb 1 . 7 . 1308 . 1 1 7 LYS HE3 H 10.625 13.349 0.800 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30744_6wpb 1 . 7 . 1309 . 1 1 7 LYS HG2 H 12.589 11.654 -0.828 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30744_6wpb 1 . 7 . 1310 . 1 1 7 LYS HG3 H 11.383 12.764 -1.487 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30744_6wpb 1 . 7 . 1311 . 1 1 7 LYS HZ1 H 8.887 11.832 1.739 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30744_6wpb 1 . 7 . 1312 . 1 1 7 LYS HZ2 H 9.779 12.713 2.885 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30744_6wpb 1 . 7 . 1313 . 1 1 7 LYS HZ3 H 10.121 11.071 2.619 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30744_6wpb 1 . 7 . 1314 . 1 1 7 LYS N N 12.150 8.863 -3.589 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30744_6wpb 1 . 7 . 1315 . 1 1 7 LYS NZ N 9.825 11.961 2.172 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30744_6wpb 1 . 7 . 1316 . 1 1 7 LYS O O 12.759 8.721 -0.158 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30744_6wpb 1 . 7 . 1317 . 1 1 8 ALA C C 11.663 5.994 0.122 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . c30744_6wpb 1 . 7 . 1318 . 1 1 8 ALA CA C 10.568 7.020 -0.157 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . c30744_6wpb 1 . 7 . 1319 . 1 1 8 ALA CB C 9.270 6.313 -0.554 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . c30744_6wpb 1 . 7 . 1320 . 1 1 8 ALA H H 10.408 7.947 -2.047 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . c30744_6wpb 1 . 7 . 1321 . 1 1 8 ALA HA H 10.390 7.596 0.736 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . c30744_6wpb 1 . 7 . 1322 . 1 1 8 ALA HB1 H 8.887 5.754 0.284 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 7 . 1323 . 1 1 8 ALA HB2 H 9.459 5.640 -1.381 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 7 . 1324 . 1 1 8 ALA HB3 H 8.543 7.053 -0.855 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 7 . 1325 . 1 1 8 ALA N N 10.954 7.917 -1.237 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . c30744_6wpb 1 . 7 . 1326 . 1 1 8 ALA O O 11.984 5.705 1.277 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . c30744_6wpb 1 . 7 . 1327 . 1 1 9 ILE C C 14.527 5.040 -0.203 . . . 1.0 . . . . . . . . . . . . A . 9 ILE C . . . . . . . . . c30744_6wpb 1 . 7 . 1328 . 1 1 9 ILE CA C 13.276 4.457 -0.857 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CA . . . . . . . . . c30744_6wpb 1 . 7 . 1329 . 1 1 9 ILE CB C 13.574 3.964 -2.276 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CB . . . . . . . . . c30744_6wpb 1 . 7 . 1330 . 1 1 9 ILE CD1 C 12.478 2.936 -4.276 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 7 . 1331 . 1 1 9 ILE CG1 C 12.352 3.187 -2.775 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 7 . 1332 . 1 1 9 ILE CG2 C 14.802 3.054 -2.286 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 7 . 1333 . 1 1 9 ILE H H 11.911 5.735 -1.831 . . . 1.0 . . . . . . . . . . . . A . 9 ILE H . . . . . . . . . c30744_6wpb 1 . 7 . 1334 . 1 1 9 ILE HA H 12.926 3.622 -0.267 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HA . . . . . . . . . c30744_6wpb 1 . 7 . 1335 . 1 1 9 ILE HB H 13.750 4.811 -2.924 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HB . . . . . . . . . c30744_6wpb 1 . 7 . 1336 . 1 1 9 ILE HD11 H 11.557 2.512 -4.648 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 7 . 1337 . 1 1 9 ILE HD12 H 13.289 2.247 -4.456 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 7 . 1338 . 1 1 9 ILE HD13 H 12.676 3.869 -4.782 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 7 . 1339 . 1 1 9 ILE HG12 H 12.286 2.245 -2.253 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 7 . 1340 . 1 1 9 ILE HG13 H 11.460 3.762 -2.584 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 7 . 1341 . 1 1 9 ILE HG21 H 15.692 3.651 -2.150 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 7 . 1342 . 1 1 9 ILE HG22 H 14.857 2.538 -3.234 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 7 . 1343 . 1 1 9 ILE HG23 H 14.725 2.333 -1.488 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 7 . 1344 . 1 1 9 ILE N N 12.222 5.456 -0.949 . . . 1.0 . . . . . . . . . . . . A . 9 ILE N . . . . . . . . . c30744_6wpb 1 . 7 . 1345 . 1 1 9 ILE O O 15.147 4.405 0.653 . . . 1.0 . . . . . . . . . . . . A . 9 ILE O . . . . . . . . . c30744_6wpb 1 . 7 . 1346 . 1 1 10 ALA C C 15.905 7.170 1.425 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c30744_6wpb 1 . 7 . 1347 . 1 1 10 ALA CA C 16.056 6.931 -0.073 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c30744_6wpb 1 . 7 . 1348 . 1 1 10 ALA CB C 16.230 8.265 -0.803 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c30744_6wpb 1 . 7 . 1349 . 1 1 10 ALA H H 14.347 6.703 -1.291 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c30744_6wpb 1 . 7 . 1350 . 1 1 10 ALA HA H 16.930 6.324 -0.244 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c30744_6wpb 1 . 7 . 1351 . 1 1 10 ALA HB1 H 15.468 8.961 -0.477 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 7 . 1352 . 1 1 10 ALA HB2 H 16.134 8.101 -1.866 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 7 . 1353 . 1 1 10 ALA HB3 H 17.205 8.671 -0.587 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 7 . 1354 . 1 1 10 ALA N N 14.883 6.253 -0.610 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c30744_6wpb 1 . 7 . 1355 . 1 1 10 ALA O O 16.852 6.998 2.192 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c30744_6wpb 1 . 7 . 1356 . 1 1 11 LYS C C 14.652 6.605 4.084 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c30744_6wpb 1 . 7 . 1357 . 1 1 11 LYS CA C 14.422 7.840 3.225 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c30744_6wpb 1 . 7 . 1358 . 1 1 11 LYS CB C 12.979 8.296 3.334 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c30744_6wpb 1 . 7 . 1359 . 1 1 11 LYS CD C 11.432 9.724 4.628 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c30744_6wpb 1 . 7 . 1360 . 1 1 11 LYS CE C 10.289 8.711 4.620 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c30744_6wpb 1 . 7 . 1361 . 1 1 11 LYS CG C 12.773 9.023 4.663 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c30744_6wpb 1 . 7 . 1362 . 1 1 11 LYS H H 14.002 7.687 1.162 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c30744_6wpb 1 . 7 . 1363 . 1 1 11 LYS HA H 15.051 8.640 3.568 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c30744_6wpb 1 . 7 . 1364 . 1 1 11 LYS HB2 H 12.764 8.961 2.512 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c30744_6wpb 1 . 7 . 1365 . 1 1 11 LYS HB3 H 12.320 7.443 3.284 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c30744_6wpb 1 . 7 . 1366 . 1 1 11 LYS HD2 H 11.340 10.364 5.491 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c30744_6wpb 1 . 7 . 1367 . 1 1 11 LYS HD3 H 11.391 10.318 3.735 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c30744_6wpb 1 . 7 . 1368 . 1 1 11 LYS HE2 H 10.175 8.295 3.629 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c30744_6wpb 1 . 7 . 1369 . 1 1 11 LYS HE3 H 10.491 7.919 5.324 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c30744_6wpb 1 . 7 . 1370 . 1 1 11 LYS HG2 H 12.797 8.315 5.473 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c30744_6wpb 1 . 7 . 1371 . 1 1 11 LYS HG3 H 13.549 9.758 4.806 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c30744_6wpb 1 . 7 . 1372 . 1 1 11 LYS HZ1 H 8.884 9.308 6.029 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c30744_6wpb 1 . 7 . 1373 . 1 1 11 LYS HZ2 H 8.236 9.010 4.487 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c30744_6wpb 1 . 7 . 1374 . 1 1 11 LYS HZ3 H 9.127 10.427 4.777 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c30744_6wpb 1 . 7 . 1375 . 1 1 11 LYS N N 14.709 7.568 1.826 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c30744_6wpb 1 . 7 . 1376 . 1 1 11 LYS NZ N 9.039 9.415 5.008 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c30744_6wpb 1 . 7 . 1377 . 1 1 11 LYS O O 15.263 6.677 5.150 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c30744_6wpb 1 . 7 . 1378 . 1 1 12 ALA C C 15.744 3.805 4.428 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c30744_6wpb 1 . 7 . 1379 . 1 1 12 ALA CA C 14.279 4.213 4.301 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c30744_6wpb 1 . 7 . 1380 . 1 1 12 ALA CB C 13.503 3.145 3.528 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c30744_6wpb 1 . 7 . 1381 . 1 1 12 ALA H H 13.674 5.513 2.745 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c30744_6wpb 1 . 7 . 1382 . 1 1 12 ALA HA H 13.854 4.305 5.286 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c30744_6wpb 1 . 7 . 1383 . 1 1 12 ALA HB1 H 13.520 2.216 4.074 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 7 . 1384 . 1 1 12 ALA HB2 H 13.950 3.002 2.554 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 7 . 1385 . 1 1 12 ALA HB3 H 12.480 3.471 3.407 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 7 . 1386 . 1 1 12 ALA N N 14.151 5.484 3.598 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c30744_6wpb 1 . 7 . 1387 . 1 1 12 ALA O O 16.178 3.319 5.475 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c30744_6wpb 1 . 7 . 1388 . 1 1 13 ALA C C 18.697 4.486 4.327 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c30744_6wpb 1 . 7 . 1389 . 1 1 13 ALA CA C 17.901 3.667 3.314 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c30744_6wpb 1 . 7 . 1390 . 1 1 13 ALA CB C 18.435 3.927 1.907 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c30744_6wpb 1 . 7 . 1391 . 1 1 13 ALA H H 16.069 4.392 2.558 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c30744_6wpb 1 . 7 . 1392 . 1 1 13 ALA HA H 18.018 2.619 3.543 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c30744_6wpb 1 . 7 . 1393 . 1 1 13 ALA HB1 H 17.799 3.428 1.189 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 7 . 1394 . 1 1 13 ALA HB2 H 19.438 3.545 1.825 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 7 . 1395 . 1 1 13 ALA HB3 H 18.435 4.990 1.711 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 7 . 1396 . 1 1 13 ALA N N 16.487 4.008 3.352 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c30744_6wpb 1 . 7 . 1397 . 1 1 13 ALA O O 19.616 3.971 4.963 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c30744_6wpb 1 . 7 . 1398 . 1 1 14 GLY C C 20.497 6.756 5.054 . . . 1.0 . . . . . . . . . . . . A . 14 GLY C . . . . . . . . . c30744_6wpb 1 . 7 . 1399 . 1 1 14 GLY CA C 19.021 6.632 5.412 . . . 1.0 . . . . . . . . . . . . A . 14 GLY CA . . . . . . . . . c30744_6wpb 1 . 7 . 1400 . 1 1 14 GLY H H 17.599 6.106 3.938 . . . 1.0 . . . . . . . . . . . . A . 14 GLY H . . . . . . . . . c30744_6wpb 1 . 7 . 1401 . 1 1 14 GLY HA2 H 18.565 7.611 5.384 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA2 . . . . . . . . . c30744_6wpb 1 . 7 . 1402 . 1 1 14 GLY HA3 H 18.931 6.225 6.408 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA3 . . . . . . . . . c30744_6wpb 1 . 7 . 1403 . 1 1 14 GLY N N 18.335 5.755 4.472 . . . 1.0 . . . . . . . . . . . . A . 14 GLY N . . . . . . . . . c30744_6wpb 1 . 7 . 1404 . 1 1 14 GLY O O 21.306 5.912 5.438 . . . 1.0 . . . . . . . . . . . . A . 14 GLY O . . . . . . . . . c30744_6wpb 1 . 7 . 1405 . 1 1 15 NH2 HN1 H 20.257 8.433 4.018 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30744_6wpb 1 . 7 . 1406 . 1 1 15 NH2 HN2 H 21.848 7.842 4.081 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c30744_6wpb 1 . 7 . 1407 . 1 1 15 NH2 N N 20.901 7.761 4.326 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30744_6wpb 1 . 8 . 1408 . 1 1 1 GLY C C 6.472 8.306 -9.044 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30744_6wpb 1 . 8 . 1409 . 1 1 1 GLY CA C 5.081 8.905 -9.222 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30744_6wpb 1 . 8 . 1410 . 1 1 1 GLY H1 H 4.816 10.904 -9.741 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30744_6wpb 1 . 8 . 1411 . 1 1 1 GLY H2 H 6.095 10.634 -8.655 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c30744_6wpb 1 . 8 . 1412 . 1 1 1 GLY H3 H 4.487 10.565 -8.112 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c30744_6wpb 1 . 8 . 1413 . 1 1 1 GLY HA2 H 4.386 8.414 -8.557 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30744_6wpb 1 . 8 . 1414 . 1 1 1 GLY HA3 H 4.761 8.767 -10.244 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30744_6wpb 1 . 8 . 1415 . 1 1 1 GLY N N 5.122 10.362 -8.909 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30744_6wpb 1 . 8 . 1416 . 1 1 1 GLY O O 6.809 7.799 -7.972 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30744_6wpb 1 . 8 . 1417 . 1 1 2 ILE C C 9.470 8.578 -9.025 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . c30744_6wpb 1 . 8 . 1418 . 1 1 2 ILE CA C 8.630 7.831 -10.061 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . c30744_6wpb 1 . 8 . 1419 . 1 1 2 ILE CB C 9.275 7.963 -11.448 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . c30744_6wpb 1 . 8 . 1420 . 1 1 2 ILE CD1 C 9.154 5.597 -12.386 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 8 . 1421 . 1 1 2 ILE CG1 C 8.574 7.019 -12.454 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 8 . 1422 . 1 1 2 ILE CG2 C 10.776 7.641 -11.372 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 8 . 1423 . 1 1 2 ILE H H 6.947 8.787 -10.927 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . c30744_6wpb 1 . 8 . 1424 . 1 1 2 ILE HA H 8.583 6.793 -9.795 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . c30744_6wpb 1 . 8 . 1425 . 1 1 2 ILE HB H 9.157 8.979 -11.779 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . c30744_6wpb 1 . 8 . 1426 . 1 1 2 ILE HD11 H 10.034 5.540 -13.007 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 8 . 1427 . 1 1 2 ILE HD12 H 8.418 4.891 -12.743 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 8 . 1428 . 1 1 2 ILE HD13 H 9.420 5.355 -11.369 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 8 . 1429 . 1 1 2 ILE HG12 H 7.517 6.982 -12.235 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 8 . 1430 . 1 1 2 ILE HG13 H 8.712 7.406 -13.454 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 8 . 1431 . 1 1 2 ILE HG21 H 10.929 6.775 -10.744 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 8 . 1432 . 1 1 2 ILE HG22 H 11.306 8.485 -10.953 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 8 . 1433 . 1 1 2 ILE HG23 H 11.153 7.438 -12.363 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 8 . 1434 . 1 1 2 ILE N N 7.274 8.370 -10.102 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . c30744_6wpb 1 . 8 . 1435 . 1 1 2 ILE O O 10.214 7.966 -8.258 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . c30744_6wpb 1 . 8 . 1436 . 1 1 3 LEU C C 9.704 10.391 -6.636 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c30744_6wpb 1 . 8 . 1437 . 1 1 3 LEU CA C 10.085 10.731 -8.072 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c30744_6wpb 1 . 8 . 1438 . 1 1 3 LEU CB C 9.791 12.206 -8.352 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c30744_6wpb 1 . 8 . 1439 . 1 1 3 LEU CD1 C 11.978 12.805 -7.245 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c30744_6wpb 1 . 8 . 1440 . 1 1 3 LEU CD2 C 10.268 14.555 -7.728 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c30744_6wpb 1 . 8 . 1441 . 1 1 3 LEU CG C 10.473 13.103 -7.310 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c30744_6wpb 1 . 8 . 1442 . 1 1 3 LEU H H 8.730 10.327 -9.650 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c30744_6wpb 1 . 8 . 1443 . 1 1 3 LEU HA H 11.138 10.562 -8.212 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c30744_6wpb 1 . 8 . 1444 . 1 1 3 LEU HB2 H 10.158 12.460 -9.335 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c30744_6wpb 1 . 8 . 1445 . 1 1 3 LEU HB3 H 8.724 12.369 -8.317 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c30744_6wpb 1 . 8 . 1446 . 1 1 3 LEU HD11 H 12.145 11.932 -6.634 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c30744_6wpb 1 . 8 . 1447 . 1 1 3 LEU HD12 H 12.498 13.648 -6.810 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c30744_6wpb 1 . 8 . 1448 . 1 1 3 LEU HD13 H 12.356 12.627 -8.242 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c30744_6wpb 1 . 8 . 1449 . 1 1 3 LEU HD21 H 10.684 14.699 -8.713 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c30744_6wpb 1 . 8 . 1450 . 1 1 3 LEU HD22 H 10.765 15.207 -7.026 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c30744_6wpb 1 . 8 . 1451 . 1 1 3 LEU HD23 H 9.213 14.779 -7.746 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c30744_6wpb 1 . 8 . 1452 . 1 1 3 LEU HG H 10.030 12.942 -6.339 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c30744_6wpb 1 . 8 . 1453 . 1 1 3 LEU N N 9.339 9.900 -9.013 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c30744_6wpb 1 . 8 . 1454 . 1 1 3 LEU O O 10.562 10.299 -5.758 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c30744_6wpb 1 . 8 . 1455 . 1 1 4 ASP C C 8.456 8.561 -4.582 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30744_6wpb 1 . 8 . 1456 . 1 1 4 ASP CA C 7.908 9.900 -5.072 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30744_6wpb 1 . 8 . 1457 . 1 1 4 ASP CB C 6.380 9.845 -5.097 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30744_6wpb 1 . 8 . 1458 . 1 1 4 ASP CG C 5.810 11.250 -5.269 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30744_6wpb 1 . 8 . 1459 . 1 1 4 ASP H H 7.773 10.312 -7.145 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30744_6wpb 1 . 8 . 1460 . 1 1 4 ASP HA H 8.215 10.677 -4.390 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30744_6wpb 1 . 8 . 1461 . 1 1 4 ASP HB2 H 6.057 9.223 -5.918 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30744_6wpb 1 . 8 . 1462 . 1 1 4 ASP HB3 H 6.023 9.427 -4.167 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30744_6wpb 1 . 8 . 1463 . 1 1 4 ASP N N 8.408 10.217 -6.406 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30744_6wpb 1 . 8 . 1464 . 1 1 4 ASP O O 8.829 8.424 -3.417 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30744_6wpb 1 . 8 . 1465 . 1 1 4 ASP OD1 O 4.646 11.355 -5.617 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30744_6wpb 1 . 8 . 1466 . 1 1 4 ASP OD2 O 6.546 12.197 -5.051 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30744_6wpb 1 . 8 . 1467 . 1 1 5 ALA C C 10.464 6.287 -4.758 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c30744_6wpb 1 . 8 . 1468 . 1 1 5 ALA CA C 8.981 6.246 -5.113 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c30744_6wpb 1 . 8 . 1469 . 1 1 5 ALA CB C 8.767 5.276 -6.277 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c30744_6wpb 1 . 8 . 1470 . 1 1 5 ALA H H 8.172 7.737 -6.387 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c30744_6wpb 1 . 8 . 1471 . 1 1 5 ALA HA H 8.426 5.889 -4.258 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c30744_6wpb 1 . 8 . 1472 . 1 1 5 ALA HB1 H 7.709 5.179 -6.473 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 8 . 1473 . 1 1 5 ALA HB2 H 9.175 4.310 -6.018 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 8 . 1474 . 1 1 5 ALA HB3 H 9.262 5.652 -7.160 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 8 . 1475 . 1 1 5 ALA N N 8.491 7.574 -5.474 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c30744_6wpb 1 . 8 . 1476 . 1 1 5 ALA O O 10.902 5.654 -3.796 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c30744_6wpb 1 . 8 . 1477 . 1 1 6 ILE C C 12.935 7.815 -3.961 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c30744_6wpb 1 . 8 . 1478 . 1 1 6 ILE CA C 12.664 7.154 -5.310 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c30744_6wpb 1 . 8 . 1479 . 1 1 6 ILE CB C 13.284 7.988 -6.435 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c30744_6wpb 1 . 8 . 1480 . 1 1 6 ILE CD1 C 13.492 8.131 -8.927 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 8 . 1481 . 1 1 6 ILE CG1 C 13.209 7.199 -7.747 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 8 . 1482 . 1 1 6 ILE CG2 C 14.749 8.299 -6.116 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 8 . 1483 . 1 1 6 ILE H H 10.822 7.512 -6.294 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c30744_6wpb 1 . 8 . 1484 . 1 1 6 ILE HA H 13.107 6.169 -5.319 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c30744_6wpb 1 . 8 . 1485 . 1 1 6 ILE HB H 12.736 8.912 -6.541 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c30744_6wpb 1 . 8 . 1486 . 1 1 6 ILE HD11 H 13.335 7.597 -9.853 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 8 . 1487 . 1 1 6 ILE HD12 H 14.515 8.474 -8.879 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 8 . 1488 . 1 1 6 ILE HD13 H 12.825 8.979 -8.883 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 8 . 1489 . 1 1 6 ILE HG12 H 13.944 6.408 -7.730 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 8 . 1490 . 1 1 6 ILE HG13 H 12.223 6.772 -7.856 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 8 . 1491 . 1 1 6 ILE HG21 H 14.800 9.028 -5.321 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 8 . 1492 . 1 1 6 ILE HG22 H 15.231 8.695 -6.997 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 8 . 1493 . 1 1 6 ILE HG23 H 15.252 7.393 -5.807 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 8 . 1494 . 1 1 6 ILE N N 11.229 7.032 -5.541 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c30744_6wpb 1 . 8 . 1495 . 1 1 6 ILE O O 13.811 7.387 -3.211 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c30744_6wpb 1 . 8 . 1496 . 1 1 7 LYS C C 12.062 8.695 -1.216 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30744_6wpb 1 . 8 . 1497 . 1 1 7 LYS CA C 12.341 9.599 -2.416 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30744_6wpb 1 . 8 . 1498 . 1 1 7 LYS CB C 11.392 10.809 -2.421 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30744_6wpb 1 . 8 . 1499 . 1 1 7 LYS CD C 10.722 11.353 -0.035 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30744_6wpb 1 . 8 . 1500 . 1 1 7 LYS CE C 10.947 12.329 1.119 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30744_6wpb 1 . 8 . 1501 . 1 1 7 LYS CG C 11.645 11.728 -1.199 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30744_6wpb 1 . 8 . 1502 . 1 1 7 LYS H H 11.501 9.164 -4.310 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30744_6wpb 1 . 8 . 1503 . 1 1 7 LYS HA H 13.353 9.958 -2.348 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30744_6wpb 1 . 8 . 1504 . 1 1 7 LYS HB2 H 11.557 11.375 -3.328 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30744_6wpb 1 . 8 . 1505 . 1 1 7 LYS HB3 H 10.369 10.459 -2.406 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30744_6wpb 1 . 8 . 1506 . 1 1 7 LYS HD2 H 9.692 11.403 -0.357 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30744_6wpb 1 . 8 . 1507 . 1 1 7 LYS HD3 H 10.946 10.355 0.298 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30744_6wpb 1 . 8 . 1508 . 1 1 7 LYS HE2 H 11.975 12.268 1.446 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30744_6wpb 1 . 8 . 1509 . 1 1 7 LYS HE3 H 10.733 13.333 0.785 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30744_6wpb 1 . 8 . 1510 . 1 1 7 LYS HG2 H 12.674 11.636 -0.879 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30744_6wpb 1 . 8 . 1511 . 1 1 7 LYS HG3 H 11.455 12.756 -1.478 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30744_6wpb 1 . 8 . 1512 . 1 1 7 LYS HZ1 H 10.614 11.726 3.083 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30744_6wpb 1 . 8 . 1513 . 1 1 7 LYS HZ2 H 9.444 11.173 1.982 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30744_6wpb 1 . 8 . 1514 . 1 1 7 LYS HZ3 H 9.444 12.797 2.481 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30744_6wpb 1 . 8 . 1515 . 1 1 7 LYS N N 12.180 8.867 -3.667 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30744_6wpb 1 . 8 . 1516 . 1 1 7 LYS NZ N 10.045 11.979 2.251 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30744_6wpb 1 . 8 . 1517 . 1 1 7 LYS O O 12.800 8.714 -0.233 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30744_6wpb 1 . 8 . 1518 . 1 1 8 ALA C C 11.724 5.988 0.054 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . c30744_6wpb 1 . 8 . 1519 . 1 1 8 ALA CA C 10.632 7.024 -0.192 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . c30744_6wpb 1 . 8 . 1520 . 1 1 8 ALA CB C 9.318 6.309 -0.510 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . c30744_6wpb 1 . 8 . 1521 . 1 1 8 ALA H H 10.427 7.942 -2.094 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . c30744_6wpb 1 . 8 . 1522 . 1 1 8 ALA HA H 10.498 7.612 0.701 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . c30744_6wpb 1 . 8 . 1523 . 1 1 8 ALA HB1 H 9.076 5.627 0.292 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 8 . 1524 . 1 1 8 ALA HB2 H 9.422 5.757 -1.433 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 8 . 1525 . 1 1 8 ALA HB3 H 8.527 7.037 -0.615 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 8 . 1526 . 1 1 8 ALA N N 10.991 7.914 -1.293 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . c30744_6wpb 1 . 8 . 1527 . 1 1 8 ALA O O 12.065 5.685 1.197 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . c30744_6wpb 1 . 8 . 1528 . 1 1 9 ILE C C 14.571 5.011 -0.295 . . . 1.0 . . . . . . . . . . . . A . 9 ILE C . . . . . . . . . c30744_6wpb 1 . 8 . 1529 . 1 1 9 ILE CA C 13.308 4.438 -0.939 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CA . . . . . . . . . c30744_6wpb 1 . 8 . 1530 . 1 1 9 ILE CB C 13.623 3.919 -2.346 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CB . . . . . . . . . c30744_6wpb 1 . 8 . 1531 . 1 1 9 ILE CD1 C 12.553 2.938 -4.384 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 8 . 1532 . 1 1 9 ILE CG1 C 12.417 3.132 -2.873 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 8 . 1533 . 1 1 9 ILE CG2 C 14.846 2.998 -2.306 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 8 . 1534 . 1 1 9 ILE H H 11.938 5.731 -1.910 . . . 1.0 . . . . . . . . . . . . A . 9 ILE H . . . . . . . . . c30744_6wpb 1 . 8 . 1535 . 1 1 9 ILE HA H 12.948 3.615 -0.341 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HA . . . . . . . . . c30744_6wpb 1 . 8 . 1536 . 1 1 9 ILE HB H 13.822 4.754 -3.001 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HB . . . . . . . . . c30744_6wpb 1 . 8 . 1537 . 1 1 9 ILE HD11 H 11.742 2.322 -4.742 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 8 . 1538 . 1 1 9 ILE HD12 H 13.495 2.457 -4.603 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 8 . 1539 . 1 1 9 ILE HD13 H 12.518 3.900 -4.875 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 8 . 1540 . 1 1 9 ILE HG12 H 12.380 2.167 -2.389 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 8 . 1541 . 1 1 9 ILE HG13 H 11.508 3.676 -2.662 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 8 . 1542 . 1 1 9 ILE HG21 H 14.728 2.277 -1.510 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 8 . 1543 . 1 1 9 ILE HG22 H 15.737 3.584 -2.131 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 8 . 1544 . 1 1 9 ILE HG23 H 14.937 2.481 -3.249 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 8 . 1545 . 1 1 9 ILE N N 12.259 5.449 -1.029 . . . 1.0 . . . . . . . . . . . . A . 9 ILE N . . . . . . . . . c30744_6wpb 1 . 8 . 1546 . 1 1 9 ILE O O 15.190 4.371 0.555 . . . 1.0 . . . . . . . . . . . . A . 9 ILE O . . . . . . . . . c30744_6wpb 1 . 8 . 1547 . 1 1 10 ALA C C 15.974 7.140 1.329 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c30744_6wpb 1 . 8 . 1548 . 1 1 10 ALA CA C 16.143 6.859 -0.161 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c30744_6wpb 1 . 8 . 1549 . 1 1 10 ALA CB C 16.408 8.172 -0.898 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c30744_6wpb 1 . 8 . 1550 . 1 1 10 ALA H H 14.424 6.682 -1.386 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c30744_6wpb 1 . 8 . 1551 . 1 1 10 ALA HA H 16.985 6.205 -0.301 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c30744_6wpb 1 . 8 . 1552 . 1 1 10 ALA HB1 H 15.678 8.909 -0.596 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 8 . 1553 . 1 1 10 ALA HB2 H 16.334 8.009 -1.963 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 8 . 1554 . 1 1 10 ALA HB3 H 17.399 8.526 -0.657 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 8 . 1555 . 1 1 10 ALA N N 14.949 6.217 -0.704 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c30744_6wpb 1 . 8 . 1556 . 1 1 10 ALA O O 16.906 6.981 2.117 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c30744_6wpb 1 . 8 . 1557 . 1 1 11 LYS C C 14.656 6.662 3.981 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c30744_6wpb 1 . 8 . 1558 . 1 1 11 LYS CA C 14.477 7.881 3.092 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c30744_6wpb 1 . 8 . 1559 . 1 1 11 LYS CB C 13.042 8.362 3.195 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c30744_6wpb 1 . 8 . 1560 . 1 1 11 LYS CD C 12.016 7.947 5.460 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c30744_6wpb 1 . 8 . 1561 . 1 1 11 LYS CE C 11.722 8.547 6.836 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c30744_6wpb 1 . 8 . 1562 . 1 1 11 LYS CG C 12.780 8.957 4.602 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c30744_6wpb 1 . 8 . 1563 . 1 1 11 LYS H H 14.081 7.676 1.022 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c30744_6wpb 1 . 8 . 1564 . 1 1 11 LYS HA H 15.118 8.668 3.433 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c30744_6wpb 1 . 8 . 1565 . 1 1 11 LYS HB2 H 12.873 9.112 2.439 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c30744_6wpb 1 . 8 . 1566 . 1 1 11 LYS HB3 H 12.376 7.529 3.016 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c30744_6wpb 1 . 8 . 1567 . 1 1 11 LYS HD2 H 11.088 7.689 4.971 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c30744_6wpb 1 . 8 . 1568 . 1 1 11 LYS HD3 H 12.622 7.063 5.574 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c30744_6wpb 1 . 8 . 1569 . 1 1 11 LYS HE2 H 11.216 7.813 7.447 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c30744_6wpb 1 . 8 . 1570 . 1 1 11 LYS HE3 H 12.650 8.830 7.311 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c30744_6wpb 1 . 8 . 1571 . 1 1 11 LYS HG2 H 13.712 9.200 5.097 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c30744_6wpb 1 . 8 . 1572 . 1 1 11 LYS HG3 H 12.202 9.851 4.504 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c30744_6wpb 1 . 8 . 1573 . 1 1 11 LYS HZ1 H 11.386 10.599 6.958 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c30744_6wpb 1 . 8 . 1574 . 1 1 11 LYS HZ2 H 10.016 9.652 7.293 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c30744_6wpb 1 . 8 . 1575 . 1 1 11 LYS HZ3 H 10.553 9.837 5.692 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c30744_6wpb 1 . 8 . 1576 . 1 1 11 LYS N N 14.778 7.565 1.701 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c30744_6wpb 1 . 8 . 1577 . 1 1 11 LYS NZ N 10.854 9.750 6.682 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c30744_6wpb 1 . 8 . 1578 . 1 1 11 LYS O O 15.244 6.738 5.060 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c30744_6wpb 1 . 8 . 1579 . 1 1 12 ALA C C 15.671 3.861 4.438 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c30744_6wpb 1 . 8 . 1580 . 1 1 12 ALA CA C 14.219 4.298 4.277 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c30744_6wpb 1 . 8 . 1581 . 1 1 12 ALA CB C 13.429 3.195 3.571 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c30744_6wpb 1 . 8 . 1582 . 1 1 12 ALA H H 13.668 5.559 2.657 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c30744_6wpb 1 . 8 . 1583 . 1 1 12 ALA HA H 13.794 4.457 5.253 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c30744_6wpb 1 . 8 . 1584 . 1 1 12 ALA HB1 H 12.395 3.492 3.486 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 8 . 1585 . 1 1 12 ALA HB2 H 13.496 2.283 4.146 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 8 . 1586 . 1 1 12 ALA HB3 H 13.838 3.032 2.586 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 8 . 1587 . 1 1 12 ALA N N 14.133 5.543 3.519 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c30744_6wpb 1 . 8 . 1588 . 1 1 12 ALA O O 16.063 3.345 5.484 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c30744_6wpb 1 . 8 . 1589 . 1 1 13 ALA C C 18.618 4.465 4.498 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c30744_6wpb 1 . 8 . 1590 . 1 1 13 ALA CA C 17.866 3.682 3.425 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c30744_6wpb 1 . 8 . 1591 . 1 1 13 ALA CB C 18.504 3.932 2.056 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c30744_6wpb 1 . 8 . 1592 . 1 1 13 ALA H H 16.088 4.474 2.586 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c30744_6wpb 1 . 8 . 1593 . 1 1 13 ALA HA H 17.933 2.633 3.650 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c30744_6wpb 1 . 8 . 1594 . 1 1 13 ALA HB1 H 18.205 3.152 1.372 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 8 . 1595 . 1 1 13 ALA HB2 H 19.580 3.935 2.151 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 8 . 1596 . 1 1 13 ALA HB3 H 18.174 4.888 1.673 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 8 . 1597 . 1 1 13 ALA N N 16.459 4.065 3.393 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c30744_6wpb 1 . 8 . 1598 . 1 1 13 ALA O O 19.496 3.927 5.174 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c30744_6wpb 1 . 8 . 1599 . 1 1 14 GLY C C 18.348 6.358 7.028 . . . 1.0 . . . . . . . . . . . . A . 14 GLY C . . . . . . . . . c30744_6wpb 1 . 8 . 1600 . 1 1 14 GLY CA C 18.926 6.588 5.635 . . . 1.0 . . . . . . . . . . . . A . 14 GLY CA . . . . . . . . . c30744_6wpb 1 . 8 . 1601 . 1 1 14 GLY H H 17.569 6.109 4.077 . . . 1.0 . . . . . . . . . . . . A . 14 GLY H . . . . . . . . . c30744_6wpb 1 . 8 . 1602 . 1 1 14 GLY HA2 H 19.983 6.367 5.650 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA2 . . . . . . . . . c30744_6wpb 1 . 8 . 1603 . 1 1 14 GLY HA3 H 18.783 7.621 5.361 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA3 . . . . . . . . . c30744_6wpb 1 . 8 . 1604 . 1 1 14 GLY N N 18.272 5.738 4.646 . . . 1.0 . . . . . . . . . . . . A . 14 GLY N . . . . . . . . . c30744_6wpb 1 . 8 . 1605 . 1 1 14 GLY O O 18.574 5.310 7.635 . . . 1.0 . . . . . . . . . . . . A . 14 GLY O . . . . . . . . . c30744_6wpb 1 . 8 . 1606 . 1 1 15 NH2 HN1 H 17.436 8.122 7.096 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30744_6wpb 1 . 8 . 1607 . 1 1 15 NH2 HN2 H 17.247 7.152 8.477 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c30744_6wpb 1 . 8 . 1608 . 1 1 15 NH2 N N 17.617 7.287 7.579 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30744_6wpb 1 . 9 . 1609 . 1 1 1 GLY C C 6.592 8.187 -9.121 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30744_6wpb 1 . 9 . 1610 . 1 1 1 GLY CA C 5.195 8.729 -9.398 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30744_6wpb 1 . 9 . 1611 . 1 1 1 GLY H1 H 5.830 9.848 -11.039 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30744_6wpb 1 . 9 . 1612 . 1 1 1 GLY H2 H 5.751 10.728 -9.587 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c30744_6wpb 1 . 9 . 1613 . 1 1 1 GLY H3 H 4.325 10.323 -10.416 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c30744_6wpb 1 . 9 . 1614 . 1 1 1 GLY HA2 H 4.683 8.906 -8.464 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30744_6wpb 1 . 9 . 1615 . 1 1 1 GLY HA3 H 4.648 8.001 -9.976 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30744_6wpb 1 . 9 . 1616 . 1 1 1 GLY N N 5.283 10.003 -10.168 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30744_6wpb 1 . 9 . 1617 . 1 1 1 GLY O O 6.889 7.737 -8.016 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30744_6wpb 1 . 9 . 1618 . 1 1 2 ILE C C 9.583 8.507 -8.989 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . c30744_6wpb 1 . 9 . 1619 . 1 1 2 ILE CA C 8.800 7.714 -10.023 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . c30744_6wpb 1 . 9 . 1620 . 1 1 2 ILE CB C 9.475 7.807 -11.393 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . c30744_6wpb 1 . 9 . 1621 . 1 1 2 ILE CD1 C 8.923 5.362 -11.892 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 9 . 1622 . 1 1 2 ILE CG1 C 8.779 6.827 -12.355 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 9 . 1623 . 1 1 2 ILE CG2 C 10.971 7.489 -11.296 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 9 . 1624 . 1 1 2 ILE H H 7.138 8.588 -10.999 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . c30744_6wpb 1 . 9 . 1625 . 1 1 2 ILE HA H 8.764 6.691 -9.719 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . c30744_6wpb 1 . 9 . 1626 . 1 1 2 ILE HB H 9.357 8.809 -11.769 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . c30744_6wpb 1 . 9 . 1627 . 1 1 2 ILE HD11 H 9.825 5.234 -11.317 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 9 . 1628 . 1 1 2 ILE HD12 H 8.961 4.718 -12.757 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 9 . 1629 . 1 1 2 ILE HD13 H 8.070 5.094 -11.285 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 9 . 1630 . 1 1 2 ILE HG12 H 7.730 7.077 -12.393 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 9 . 1631 . 1 1 2 ILE HG13 H 9.204 6.935 -13.341 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 9 . 1632 . 1 1 2 ILE HG21 H 11.492 8.328 -10.861 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 9 . 1633 . 1 1 2 ILE HG22 H 11.359 7.299 -12.286 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 9 . 1634 . 1 1 2 ILE HG23 H 11.112 6.615 -10.681 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 9 . 1635 . 1 1 2 ILE N N 7.437 8.223 -10.142 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . c30744_6wpb 1 . 9 . 1636 . 1 1 2 ILE O O 10.299 7.940 -8.168 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . c30744_6wpb 1 . 9 . 1637 . 1 1 3 LEU C C 9.702 10.408 -6.660 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c30744_6wpb 1 . 9 . 1638 . 1 1 3 LEU CA C 10.116 10.699 -8.100 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c30744_6wpb 1 . 9 . 1639 . 1 1 3 LEU CB C 9.766 12.144 -8.474 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c30744_6wpb 1 . 9 . 1640 . 1 1 3 LEU CD1 C 10.979 14.352 -8.437 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c30744_6wpb 1 . 9 . 1641 . 1 1 3 LEU CD2 C 9.618 13.664 -6.455 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c30744_6wpb 1 . 9 . 1642 . 1 1 3 LEU CG C 10.530 13.156 -7.585 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c30744_6wpb 1 . 9 . 1643 . 1 1 3 LEU H H 8.833 10.207 -9.703 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c30744_6wpb 1 . 9 . 1644 . 1 1 3 LEU HA H 11.180 10.559 -8.196 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c30744_6wpb 1 . 9 . 1645 . 1 1 3 LEU HB2 H 10.030 12.295 -9.512 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c30744_6wpb 1 . 9 . 1646 . 1 1 3 LEU HB3 H 8.700 12.289 -8.363 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c30744_6wpb 1 . 9 . 1647 . 1 1 3 LEU HD11 H 10.128 14.756 -8.965 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c30744_6wpb 1 . 9 . 1648 . 1 1 3 LEU HD12 H 11.721 14.026 -9.151 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c30744_6wpb 1 . 9 . 1649 . 1 1 3 LEU HD13 H 11.403 15.115 -7.801 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c30744_6wpb 1 . 9 . 1650 . 1 1 3 LEU HD21 H 10.220 14.121 -5.681 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c30744_6wpb 1 . 9 . 1651 . 1 1 3 LEU HD22 H 9.066 12.838 -6.039 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c30744_6wpb 1 . 9 . 1652 . 1 1 3 LEU HD23 H 8.926 14.394 -6.850 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c30744_6wpb 1 . 9 . 1653 . 1 1 3 LEU HG H 11.405 12.682 -7.156 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c30744_6wpb 1 . 9 . 1654 . 1 1 3 LEU N N 9.429 9.817 -9.030 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c30744_6wpb 1 . 9 . 1655 . 1 1 3 LEU O O 10.542 10.350 -5.760 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c30744_6wpb 1 . 9 . 1656 . 1 1 4 ASP C C 8.408 8.630 -4.578 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30744_6wpb 1 . 9 . 1657 . 1 1 4 ASP CA C 7.860 9.944 -5.133 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30744_6wpb 1 . 9 . 1658 . 1 1 4 ASP CB C 6.333 9.872 -5.235 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30744_6wpb 1 . 9 . 1659 . 1 1 4 ASP CG C 5.779 11.274 -5.469 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30744_6wpb 1 . 9 . 1660 . 1 1 4 ASP H H 7.793 10.278 -7.218 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30744_6wpb 1 . 9 . 1661 . 1 1 4 ASP HA H 8.132 10.742 -4.463 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30744_6wpb 1 . 9 . 1662 . 1 1 4 ASP HB2 H 6.057 9.234 -6.066 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30744_6wpb 1 . 9 . 1663 . 1 1 4 ASP HB3 H 5.923 9.470 -4.323 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30744_6wpb 1 . 9 . 1664 . 1 1 4 ASP N N 8.404 10.219 -6.458 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30744_6wpb 1 . 9 . 1665 . 1 1 4 ASP O O 8.754 8.539 -3.399 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30744_6wpb 1 . 9 . 1666 . 1 1 4 ASP OD1 O 6.541 12.219 -5.343 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30744_6wpb 1 . 9 . 1667 . 1 1 4 ASP OD2 O 4.602 11.386 -5.773 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30744_6wpb 1 . 9 . 1668 . 1 1 5 ALA C C 10.441 6.373 -4.625 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c30744_6wpb 1 . 9 . 1669 . 1 1 5 ALA CA C 8.975 6.308 -5.049 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c30744_6wpb 1 . 9 . 1670 . 1 1 5 ALA CB C 8.825 5.349 -6.235 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c30744_6wpb 1 . 9 . 1671 . 1 1 5 ALA H H 8.187 7.766 -6.361 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c30744_6wpb 1 . 9 . 1672 . 1 1 5 ALA HA H 8.384 5.939 -4.221 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c30744_6wpb 1 . 9 . 1673 . 1 1 5 ALA HB1 H 7.780 5.233 -6.471 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 9 . 1674 . 1 1 5 ALA HB2 H 9.248 4.388 -5.979 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 9 . 1675 . 1 1 5 ALA HB3 H 9.343 5.754 -7.093 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 9 . 1676 . 1 1 5 ALA N N 8.480 7.624 -5.440 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c30744_6wpb 1 . 9 . 1677 . 1 1 5 ALA O O 10.839 5.761 -3.636 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c30744_6wpb 1 . 9 . 1678 . 1 1 6 ILE C C 12.903 7.932 -3.772 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c30744_6wpb 1 . 9 . 1679 . 1 1 6 ILE CA C 12.660 7.261 -5.115 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c30744_6wpb 1 . 9 . 1680 . 1 1 6 ILE CB C 13.283 8.086 -6.243 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c30744_6wpb 1 . 9 . 1681 . 1 1 6 ILE CD1 C 13.543 8.150 -8.723 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 9 . 1682 . 1 1 6 ILE CG1 C 13.244 7.256 -7.524 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 9 . 1683 . 1 1 6 ILE CG2 C 14.731 8.452 -5.911 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 9 . 1684 . 1 1 6 ILE H H 10.850 7.577 -6.162 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c30744_6wpb 1 . 9 . 1685 . 1 1 6 ILE HA H 13.118 6.283 -5.103 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c30744_6wpb 1 . 9 . 1686 . 1 1 6 ILE HB H 12.707 8.992 -6.384 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c30744_6wpb 1 . 9 . 1687 . 1 1 6 ILE HD11 H 14.531 8.571 -8.619 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 9 . 1688 . 1 1 6 ILE HD12 H 12.815 8.946 -8.767 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 9 . 1689 . 1 1 6 ILE HD13 H 13.493 7.564 -9.629 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 9 . 1690 . 1 1 6 ILE HG12 H 13.982 6.470 -7.463 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 9 . 1691 . 1 1 6 ILE HG13 H 12.264 6.817 -7.640 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 9 . 1692 . 1 1 6 ILE HG21 H 15.221 8.819 -6.801 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 9 . 1693 . 1 1 6 ILE HG22 H 15.249 7.578 -5.548 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 9 . 1694 . 1 1 6 ILE HG23 H 14.744 9.220 -5.151 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 9 . 1695 . 1 1 6 ILE N N 11.232 7.114 -5.388 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c30744_6wpb 1 . 9 . 1696 . 1 1 6 ILE O O 13.761 7.505 -2.999 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c30744_6wpb 1 . 9 . 1697 . 1 1 7 LYS C C 11.998 8.780 -1.062 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30744_6wpb 1 . 9 . 1698 . 1 1 7 LYS CA C 12.275 9.703 -2.241 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30744_6wpb 1 . 9 . 1699 . 1 1 7 LYS CB C 11.279 10.876 -2.240 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30744_6wpb 1 . 9 . 1700 . 1 1 7 LYS CD C 10.721 11.556 0.103 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30744_6wpb 1 . 9 . 1701 . 1 1 7 LYS CE C 11.040 12.495 1.255 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30744_6wpb 1 . 9 . 1702 . 1 1 7 LYS CG C 11.591 11.882 -1.108 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30744_6wpb 1 . 9 . 1703 . 1 1 7 LYS H H 11.469 9.266 -4.147 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30744_6wpb 1 . 9 . 1704 . 1 1 7 LYS HA H 13.278 10.087 -2.162 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30744_6wpb 1 . 9 . 1705 . 1 1 7 LYS HB2 H 11.338 11.380 -3.190 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30744_6wpb 1 . 9 . 1706 . 1 1 7 LYS HB3 H 10.277 10.483 -2.117 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30744_6wpb 1 . 9 . 1707 . 1 1 7 LYS HD2 H 9.681 11.666 -0.168 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30744_6wpb 1 . 9 . 1708 . 1 1 7 LYS HD3 H 10.900 10.539 0.411 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30744_6wpb 1 . 9 . 1709 . 1 1 7 LYS HE2 H 12.074 12.377 1.549 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30744_6wpb 1 . 9 . 1710 . 1 1 7 LYS HE3 H 10.861 13.517 0.954 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30744_6wpb 1 . 9 . 1711 . 1 1 7 LYS HG2 H 12.633 11.824 -0.829 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30744_6wpb 1 . 9 . 1712 . 1 1 7 LYS HG3 H 11.371 12.883 -1.444 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30744_6wpb 1 . 9 . 1713 . 1 1 7 LYS HZ1 H 9.160 12.314 2.117 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30744_6wpb 1 . 9 . 1714 . 1 1 7 LYS HZ2 H 10.388 12.732 3.215 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30744_6wpb 1 . 9 . 1715 . 1 1 7 LYS HZ3 H 10.272 11.142 2.628 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30744_6wpb 1 . 9 . 1716 . 1 1 7 LYS N N 12.140 8.977 -3.497 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30744_6wpb 1 . 9 . 1717 . 1 1 7 LYS NZ N 10.148 12.146 2.391 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30744_6wpb 1 . 9 . 1718 . 1 1 7 LYS O O 12.740 8.766 -0.078 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30744_6wpb 1 . 9 . 1719 . 1 1 8 ALA C C 11.620 6.054 0.142 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . c30744_6wpb 1 . 9 . 1720 . 1 1 8 ALA CA C 10.526 7.084 -0.122 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . c30744_6wpb 1 . 9 . 1721 . 1 1 8 ALA CB C 9.239 6.380 -0.555 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . c30744_6wpb 1 . 9 . 1722 . 1 1 8 ALA H H 10.380 8.072 -1.982 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . c30744_6wpb 1 . 9 . 1723 . 1 1 8 ALA HA H 10.341 7.636 0.782 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . c30744_6wpb 1 . 9 . 1724 . 1 1 8 ALA HB1 H 8.801 5.874 0.289 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 9 . 1725 . 1 1 8 ALA HB2 H 9.464 5.662 -1.332 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 9 . 1726 . 1 1 8 ALA HB3 H 8.547 7.114 -0.940 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 9 . 1727 . 1 1 8 ALA N N 10.925 8.012 -1.173 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . c30744_6wpb 1 . 9 . 1728 . 1 1 8 ALA O O 11.961 5.768 1.290 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . c30744_6wpb 1 . 9 . 1729 . 1 1 9 ILE C C 14.471 5.077 -0.223 . . . 1.0 . . . . . . . . . . . . A . 9 ILE C . . . . . . . . . c30744_6wpb 1 . 9 . 1730 . 1 1 9 ILE CA C 13.210 4.499 -0.859 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CA . . . . . . . . . c30744_6wpb 1 . 9 . 1731 . 1 1 9 ILE CB C 13.510 4.010 -2.279 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CB . . . . . . . . . c30744_6wpb 1 . 9 . 1732 . 1 1 9 ILE CD1 C 12.417 3.045 -4.305 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 9 . 1733 . 1 1 9 ILE CG1 C 12.300 3.224 -2.794 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 9 . 1734 . 1 1 9 ILE CG2 C 14.748 3.110 -2.285 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 9 . 1735 . 1 1 9 ILE H H 11.835 5.788 -1.815 . . . 1.0 . . . . . . . . . . . . A . 9 ILE H . . . . . . . . . c30744_6wpb 1 . 9 . 1736 . 1 1 9 ILE HA H 12.861 3.667 -0.264 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HA . . . . . . . . . c30744_6wpb 1 . 9 . 1737 . 1 1 9 ILE HB H 13.684 4.862 -2.922 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HB . . . . . . . . . c30744_6wpb 1 . 9 . 1738 . 1 1 9 ILE HD11 H 13.324 2.507 -4.535 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 9 . 1739 . 1 1 9 ILE HD12 H 12.443 4.014 -4.779 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 9 . 1740 . 1 1 9 ILE HD13 H 11.566 2.488 -4.668 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 9 . 1741 . 1 1 9 ILE HG12 H 12.272 2.255 -2.315 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 9 . 1742 . 1 1 9 ILE HG13 H 11.394 3.764 -2.565 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 9 . 1743 . 1 1 9 ILE HG21 H 14.694 2.417 -1.460 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 9 . 1744 . 1 1 9 ILE HG22 H 15.635 3.719 -2.186 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 9 . 1745 . 1 1 9 ILE HG23 H 14.790 2.562 -3.216 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 9 . 1746 . 1 1 9 ILE N N 12.155 5.506 -0.937 . . . 1.0 . . . . . . . . . . . . A . 9 ILE N . . . . . . . . . c30744_6wpb 1 . 9 . 1747 . 1 1 9 ILE O O 15.103 4.441 0.622 . . . 1.0 . . . . . . . . . . . . A . 9 ILE O . . . . . . . . . c30744_6wpb 1 . 9 . 1748 . 1 1 10 ALA C C 15.906 7.194 1.373 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c30744_6wpb 1 . 9 . 1749 . 1 1 10 ALA CA C 16.013 6.959 -0.128 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c30744_6wpb 1 . 9 . 1750 . 1 1 10 ALA CB C 16.174 8.302 -0.849 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c30744_6wpb 1 . 9 . 1751 . 1 1 10 ALA H H 14.278 6.734 -1.314 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c30744_6wpb 1 . 9 . 1752 . 1 1 10 ALA HA H 16.877 6.349 -0.325 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c30744_6wpb 1 . 9 . 1753 . 1 1 10 ALA HB1 H 16.489 8.127 -1.865 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 9 . 1754 . 1 1 10 ALA HB2 H 16.914 8.901 -0.337 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 9 . 1755 . 1 1 10 ALA HB3 H 15.228 8.825 -0.853 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 9 . 1756 . 1 1 10 ALA N N 14.825 6.284 -0.641 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c30744_6wpb 1 . 9 . 1757 . 1 1 10 ALA O O 16.870 7.006 2.115 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c30744_6wpb 1 . 9 . 1758 . 1 1 11 LYS C C 14.687 6.643 4.068 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c30744_6wpb 1 . 9 . 1759 . 1 1 11 LYS CA C 14.483 7.886 3.215 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c30744_6wpb 1 . 9 . 1760 . 1 1 11 LYS CB C 13.060 8.392 3.371 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c30744_6wpb 1 . 9 . 1761 . 1 1 11 LYS CD C 11.609 9.897 4.698 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c30744_6wpb 1 . 9 . 1762 . 1 1 11 LYS CE C 10.429 8.924 4.758 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c30744_6wpb 1 . 9 . 1763 . 1 1 11 LYS CG C 12.924 9.145 4.696 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c30744_6wpb 1 . 9 . 1764 . 1 1 11 LYS H H 14.006 7.739 1.161 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c30744_6wpb 1 . 9 . 1765 . 1 1 11 LYS HA H 15.154 8.655 3.542 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c30744_6wpb 1 . 9 . 1766 . 1 1 11 LYS HB2 H 12.837 9.049 2.548 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c30744_6wpb 1 . 9 . 1767 . 1 1 11 LYS HB3 H 12.373 7.557 3.356 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c30744_6wpb 1 . 9 . 1768 . 1 1 11 LYS HD2 H 11.574 10.562 5.547 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c30744_6wpb 1 . 9 . 1769 . 1 1 11 LYS HD3 H 11.555 10.473 3.790 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c30744_6wpb 1 . 9 . 1770 . 1 1 11 LYS HE2 H 10.266 8.487 3.783 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c30744_6wpb 1 . 9 . 1771 . 1 1 11 LYS HE3 H 10.635 8.141 5.476 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c30744_6wpb 1 . 9 . 1772 . 1 1 11 LYS HG2 H 12.952 8.443 5.514 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c30744_6wpb 1 . 9 . 1773 . 1 1 11 LYS HG3 H 13.733 9.853 4.802 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c30744_6wpb 1 . 9 . 1774 . 1 1 11 LYS HZ1 H 8.830 9.260 6.047 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c30744_6wpb 1 . 9 . 1775 . 1 1 11 LYS HZ2 H 8.500 9.624 4.421 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c30744_6wpb 1 . 9 . 1776 . 1 1 11 LYS HZ3 H 9.466 10.670 5.350 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c30744_6wpb 1 . 9 . 1777 . 1 1 11 LYS N N 14.729 7.610 1.806 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c30744_6wpb 1 . 9 . 1778 . 1 1 11 LYS NZ N 9.214 9.675 5.174 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c30744_6wpb 1 . 9 . 1779 . 1 1 11 LYS O O 15.324 6.689 5.121 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c30744_6wpb 1 . 9 . 1780 . 1 1 12 ALA C C 15.688 3.795 4.357 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c30744_6wpb 1 . 9 . 1781 . 1 1 12 ALA CA C 14.238 4.260 4.292 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c30744_6wpb 1 . 9 . 1782 . 1 1 12 ALA CB C 13.390 3.214 3.559 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c30744_6wpb 1 . 9 . 1783 . 1 1 12 ALA H H 13.647 5.587 2.747 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c30744_6wpb 1 . 9 . 1784 . 1 1 12 ALA HA H 13.864 4.377 5.294 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c30744_6wpb 1 . 9 . 1785 . 1 1 12 ALA HB1 H 13.540 3.311 2.492 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 9 . 1786 . 1 1 12 ALA HB2 H 12.349 3.374 3.791 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 9 . 1787 . 1 1 12 ALA HB3 H 13.682 2.223 3.874 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 9 . 1788 . 1 1 12 ALA N N 14.138 5.539 3.592 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c30744_6wpb 1 . 9 . 1789 . 1 1 12 ALA O O 16.137 3.243 5.364 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c30744_6wpb 1 . 9 . 1790 . 1 1 13 ALA C C 18.662 4.372 4.194 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c30744_6wpb 1 . 9 . 1791 . 1 1 13 ALA CA C 17.811 3.634 3.167 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c30744_6wpb 1 . 9 . 1792 . 1 1 13 ALA CB C 18.315 3.936 1.754 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c30744_6wpb 1 . 9 . 1793 . 1 1 13 ALA H H 15.982 4.464 2.509 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c30744_6wpb 1 . 9 . 1794 . 1 1 13 ALA HA H 17.891 2.576 3.347 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c30744_6wpb 1 . 9 . 1795 . 1 1 13 ALA HB1 H 19.395 3.932 1.743 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 9 . 1796 . 1 1 13 ALA HB2 H 17.956 4.908 1.443 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 9 . 1797 . 1 1 13 ALA HB3 H 17.942 3.185 1.074 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 9 . 1798 . 1 1 13 ALA N N 16.407 4.024 3.268 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c30744_6wpb 1 . 9 . 1799 . 1 1 13 ALA O O 19.573 3.796 4.786 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c30744_6wpb 1 . 9 . 1800 . 1 1 14 GLY C C 18.808 6.002 6.791 . . . 1.0 . . . . . . . . . . . . A . 14 GLY C . . . . . . . . . c30744_6wpb 1 . 9 . 1801 . 1 1 14 GLY CA C 19.100 6.455 5.364 . . . 1.0 . . . . . . . . . . . . A . 14 GLY CA . . . . . . . . . c30744_6wpb 1 . 9 . 1802 . 1 1 14 GLY H H 17.620 6.049 3.903 . . . 1.0 . . . . . . . . . . . . A . 14 GLY H . . . . . . . . . c30744_6wpb 1 . 9 . 1803 . 1 1 14 GLY HA2 H 20.161 6.360 5.167 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA2 . . . . . . . . . c30744_6wpb 1 . 9 . 1804 . 1 1 14 GLY HA3 H 18.811 7.491 5.259 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA3 . . . . . . . . . c30744_6wpb 1 . 9 . 1805 . 1 1 14 GLY N N 18.359 5.648 4.401 . . . 1.0 . . . . . . . . . . . . A . 14 GLY N . . . . . . . . . c30744_6wpb 1 . 9 . 1806 . 1 1 14 GLY O O 17.770 6.342 7.354 . . . 1.0 . . . . . . . . . . . . A . 14 GLY O . . . . . . . . . c30744_6wpb 1 . 9 . 1807 . 1 1 15 NH2 HN1 H 20.496 4.969 6.960 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30744_6wpb 1 . 9 . 1808 . 1 1 15 NH2 HN2 H 19.485 4.935 8.322 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c30744_6wpb 1 . 9 . 1809 . 1 1 15 NH2 N N 19.668 5.239 7.409 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30744_6wpb 1 . 10 . 1810 . 1 1 1 GLY C C 6.442 8.758 -9.508 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c30744_6wpb 1 . 10 . 1811 . 1 1 1 GLY CA C 5.283 9.536 -10.119 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c30744_6wpb 1 . 10 . 1812 . 1 1 1 GLY H1 H 4.188 8.327 -8.831 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c30744_6wpb 1 . 10 . 1813 . 1 1 1 GLY H2 H 3.294 8.930 -10.142 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c30744_6wpb 1 . 10 . 1814 . 1 1 1 GLY H3 H 3.694 9.949 -8.842 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c30744_6wpb 1 . 10 . 1815 . 1 1 1 GLY HA2 H 5.205 9.295 -11.171 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c30744_6wpb 1 . 10 . 1816 . 1 1 1 GLY HA3 H 5.461 10.593 -10.003 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c30744_6wpb 1 . 10 . 1817 . 1 1 1 GLY N N 4.019 9.158 -9.431 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c30744_6wpb 1 . 10 . 1818 . 1 1 1 GLY O O 6.489 8.542 -8.296 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c30744_6wpb 1 . 10 . 1819 . 1 1 2 ILE C C 9.354 8.337 -8.924 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . c30744_6wpb 1 . 10 . 1820 . 1 1 2 ILE CA C 8.518 7.552 -9.926 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . c30744_6wpb 1 . 10 . 1821 . 1 1 2 ILE CB C 9.362 7.195 -11.144 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . c30744_6wpb 1 . 10 . 1822 . 1 1 2 ILE CD1 C 7.913 5.150 -11.543 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 10 . 1823 . 1 1 2 ILE CG1 C 8.485 6.439 -12.153 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 10 . 1824 . 1 1 2 ILE CG2 C 10.576 6.349 -10.739 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 10 . 1825 . 1 1 2 ILE H H 7.254 8.526 -11.316 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . c30744_6wpb 1 . 10 . 1826 . 1 1 2 ILE HA H 8.179 6.648 -9.469 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . c30744_6wpb 1 . 10 . 1827 . 1 1 2 ILE HB H 9.710 8.108 -11.598 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . c30744_6wpb 1 . 10 . 1828 . 1 1 2 ILE HD11 H 6.989 5.377 -11.029 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 10 . 1829 . 1 1 2 ILE HD12 H 8.615 4.725 -10.842 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 10 . 1830 . 1 1 2 ILE HD13 H 7.717 4.437 -12.329 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 10 . 1831 . 1 1 2 ILE HG12 H 7.664 7.079 -12.440 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 10 . 1832 . 1 1 2 ILE HG13 H 9.069 6.195 -13.027 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 10 . 1833 . 1 1 2 ILE HG21 H 10.242 5.453 -10.237 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 10 . 1834 . 1 1 2 ILE HG22 H 11.209 6.920 -10.076 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 10 . 1835 . 1 1 2 ILE HG23 H 11.135 6.080 -11.624 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 10 . 1836 . 1 1 2 ILE N N 7.360 8.325 -10.363 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . c30744_6wpb 1 . 10 . 1837 . 1 1 2 ILE O O 10.121 7.767 -8.149 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . c30744_6wpb 1 . 10 . 1838 . 1 1 3 LEU C C 9.573 10.232 -6.600 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c30744_6wpb 1 . 10 . 1839 . 1 1 3 LEU CA C 9.929 10.534 -8.058 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c30744_6wpb 1 . 10 . 1840 . 1 1 3 LEU CB C 9.559 11.983 -8.398 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c30744_6wpb 1 . 10 . 1841 . 1 1 3 LEU CD1 C 10.574 14.263 -8.633 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c30744_6wpb 1 . 10 . 1842 . 1 1 3 LEU CD2 C 10.225 13.325 -6.344 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c30744_6wpb 1 . 10 . 1843 . 1 1 3 LEU CG C 10.583 12.980 -7.802 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c30744_6wpb 1 . 10 . 1844 . 1 1 3 LEU H H 8.572 10.039 -9.603 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c30744_6wpb 1 . 10 . 1845 . 1 1 3 LEU HA H 10.985 10.393 -8.208 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c30744_6wpb 1 . 10 . 1846 . 1 1 3 LEU HB2 H 9.540 12.084 -9.473 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c30744_6wpb 1 . 10 . 1847 . 1 1 3 LEU HB3 H 8.575 12.194 -8.008 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c30744_6wpb 1 . 10 . 1848 . 1 1 3 LEU HD11 H 11.294 14.958 -8.231 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c30744_6wpb 1 . 10 . 1849 . 1 1 3 LEU HD12 H 9.588 14.704 -8.604 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c30744_6wpb 1 . 10 . 1850 . 1 1 3 LEU HD13 H 10.831 14.027 -9.655 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c30744_6wpb 1 . 10 . 1851 . 1 1 3 LEU HD21 H 10.497 12.502 -5.700 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c30744_6wpb 1 . 10 . 1852 . 1 1 3 LEU HD22 H 9.167 13.516 -6.257 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c30744_6wpb 1 . 10 . 1853 . 1 1 3 LEU HD23 H 10.773 14.206 -6.042 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c30744_6wpb 1 . 10 . 1854 . 1 1 3 LEU HG H 11.572 12.548 -7.837 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c30744_6wpb 1 . 10 . 1855 . 1 1 3 LEU N N 9.198 9.650 -8.956 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c30744_6wpb 1 . 10 . 1856 . 1 1 3 LEU O O 10.446 10.179 -5.733 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c30744_6wpb 1 . 10 . 1857 . 1 1 4 ASP C C 8.369 8.439 -4.480 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30744_6wpb 1 . 10 . 1858 . 1 1 4 ASP CA C 7.797 9.753 -5.001 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30744_6wpb 1 . 10 . 1859 . 1 1 4 ASP CB C 6.269 9.678 -5.019 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30744_6wpb 1 . 10 . 1860 . 1 1 4 ASP CG C 5.683 11.071 -5.223 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30744_6wpb 1 . 10 . 1861 . 1 1 4 ASP H H 7.640 10.098 -7.087 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30744_6wpb 1 . 10 . 1862 . 1 1 4 ASP HA H 8.097 10.553 -4.341 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30744_6wpb 1 . 10 . 1863 . 1 1 4 ASP HB2 H 5.952 9.034 -5.825 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30744_6wpb 1 . 10 . 1864 . 1 1 4 ASP HB3 H 5.919 9.276 -4.080 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30744_6wpb 1 . 10 . 1865 . 1 1 4 ASP N N 8.283 10.042 -6.349 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30744_6wpb 1 . 10 . 1866 . 1 1 4 ASP O O 8.751 8.332 -3.315 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30744_6wpb 1 . 10 . 1867 . 1 1 4 ASP OD1 O 6.426 12.030 -5.084 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30744_6wpb 1 . 10 . 1868 . 1 1 4 ASP OD2 O 4.505 11.159 -5.519 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30744_6wpb 1 . 10 . 1869 . 1 1 5 ALA C C 10.400 6.204 -4.599 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c30744_6wpb 1 . 10 . 1870 . 1 1 5 ALA CA C 8.925 6.125 -4.987 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c30744_6wpb 1 . 10 . 1871 . 1 1 5 ALA CB C 8.768 5.171 -6.173 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c30744_6wpb 1 . 10 . 1872 . 1 1 5 ALA H H 8.084 7.590 -6.265 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c30744_6wpb 1 . 10 . 1873 . 1 1 5 ALA HA H 8.358 5.741 -4.153 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c30744_6wpb 1 . 10 . 1874 . 1 1 5 ALA HB1 H 8.922 4.155 -5.843 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 10 . 1875 . 1 1 5 ALA HB2 H 9.499 5.418 -6.930 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 10 . 1876 . 1 1 5 ALA HB3 H 7.775 5.272 -6.588 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 10 . 1877 . 1 1 5 ALA N N 8.410 7.440 -5.355 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c30744_6wpb 1 . 10 . 1878 . 1 1 5 ALA O O 10.834 5.598 -3.620 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c30744_6wpb 1 . 10 . 1879 . 1 1 6 ILE C C 12.853 7.810 -3.813 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c30744_6wpb 1 . 10 . 1880 . 1 1 6 ILE CA C 12.597 7.114 -5.145 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c30744_6wpb 1 . 10 . 1881 . 1 1 6 ILE CB C 13.193 7.940 -6.287 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c30744_6wpb 1 . 10 . 1882 . 1 1 6 ILE CD1 C 13.412 8.011 -8.775 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 10 . 1883 . 1 1 6 ILE CG1 C 13.137 7.112 -7.571 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 10 . 1884 . 1 1 6 ILE CG2 C 14.648 8.313 -5.979 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 10 . 1885 . 1 1 6 ILE H H 10.755 7.402 -6.154 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c30744_6wpb 1 . 10 . 1886 . 1 1 6 ILE HA H 13.067 6.143 -5.135 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c30744_6wpb 1 . 10 . 1887 . 1 1 6 ILE HB H 12.611 8.841 -6.414 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c30744_6wpb 1 . 10 . 1888 . 1 1 6 ILE HD11 H 12.594 8.707 -8.898 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 10 . 1889 . 1 1 6 ILE HD12 H 13.504 7.403 -9.662 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 10 . 1890 . 1 1 6 ILE HD13 H 14.329 8.557 -8.614 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 10 . 1891 . 1 1 6 ILE HG12 H 13.880 6.330 -7.526 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 10 . 1892 . 1 1 6 ILE HG13 H 12.156 6.669 -7.672 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 10 . 1893 . 1 1 6 ILE HG21 H 15.188 7.433 -5.661 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 10 . 1894 . 1 1 6 ILE HG22 H 14.673 9.053 -5.193 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 10 . 1895 . 1 1 6 ILE HG23 H 15.108 8.717 -6.866 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 10 . 1896 . 1 1 6 ILE N N 11.163 6.951 -5.384 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c30744_6wpb 1 . 10 . 1897 . 1 1 6 ILE O O 13.747 7.428 -3.056 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c30744_6wpb 1 . 10 . 1898 . 1 1 7 LYS C C 11.961 8.735 -1.102 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30744_6wpb 1 . 10 . 1899 . 1 1 7 LYS CA C 12.197 9.620 -2.326 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30744_6wpb 1 . 10 . 1900 . 1 1 7 LYS CB C 11.171 10.768 -2.376 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30744_6wpb 1 . 10 . 1901 . 1 1 7 LYS CD C 10.434 11.359 -0.033 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30744_6wpb 1 . 10 . 1902 . 1 1 7 LYS CE C 10.592 12.350 1.118 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30744_6wpb 1 . 10 . 1903 . 1 1 7 LYS CG C 11.359 11.748 -1.191 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30744_6wpb 1 . 10 . 1904 . 1 1 7 LYS H H 11.386 9.097 -4.205 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30744_6wpb 1 . 10 . 1905 . 1 1 7 LYS HA H 13.185 10.040 -2.270 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30744_6wpb 1 . 10 . 1906 . 1 1 7 LYS HB2 H 11.297 11.301 -3.307 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30744_6wpb 1 . 10 . 1907 . 1 1 7 LYS HB3 H 10.176 10.346 -2.345 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30744_6wpb 1 . 10 . 1908 . 1 1 7 LYS HD2 H 9.410 11.367 -0.373 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30744_6wpb 1 . 10 . 1909 . 1 1 7 LYS HD3 H 10.689 10.374 0.314 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30744_6wpb 1 . 10 . 1910 . 1 1 7 LYS HE2 H 11.615 12.345 1.464 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30744_6wpb 1 . 10 . 1911 . 1 1 7 LYS HE3 H 10.330 13.343 0.781 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30744_6wpb 1 . 10 . 1912 . 1 1 7 LYS HG2 H 12.386 11.721 -0.855 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30744_6wpb 1 . 10 . 1913 . 1 1 7 LYS HG3 H 11.115 12.748 -1.516 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30744_6wpb 1 . 10 . 1914 . 1 1 7 LYS HZ1 H 8.720 11.833 1.862 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30744_6wpb 1 . 10 . 1915 . 1 1 7 LYS HZ2 H 9.694 12.676 2.969 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30744_6wpb 1 . 10 . 1916 . 1 1 7 LYS HZ3 H 10.010 11.041 2.627 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30744_6wpb 1 . 10 . 1917 . 1 1 7 LYS N N 12.068 8.842 -3.551 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30744_6wpb 1 . 10 . 1918 . 1 1 7 LYS NZ N 9.685 11.944 2.228 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30744_6wpb 1 . 10 . 1919 . 1 1 7 LYS O O 12.700 8.813 -0.119 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30744_6wpb 1 . 10 . 1920 . 1 1 8 ALA C C 11.715 6.021 0.212 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . c30744_6wpb 1 . 10 . 1921 . 1 1 8 ALA CA C 10.590 7.018 -0.054 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . c30744_6wpb 1 . 10 . 1922 . 1 1 8 ALA CB C 9.305 6.251 -0.384 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . c30744_6wpb 1 . 10 . 1923 . 1 1 8 ALA H H 10.372 7.894 -1.976 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . c30744_6wpb 1 . 10 . 1924 . 1 1 8 ALA HA H 10.425 7.606 0.829 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . c30744_6wpb 1 . 10 . 1925 . 1 1 8 ALA HB1 H 9.399 5.797 -1.359 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 10 . 1926 . 1 1 8 ALA HB2 H 8.468 6.933 -0.383 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 10 . 1927 . 1 1 8 ALA HB3 H 9.146 5.482 0.357 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 10 . 1928 . 1 1 8 ALA N N 10.925 7.905 -1.168 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . c30744_6wpb 1 . 10 . 1929 . 1 1 8 ALA O O 12.064 5.743 1.361 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . c30744_6wpb 1 . 10 . 1930 . 1 1 9 ILE C C 14.602 5.144 -0.152 . . . 1.0 . . . . . . . . . . . . A . 9 ILE C . . . . . . . . . c30744_6wpb 1 . 10 . 1931 . 1 1 9 ILE CA C 13.357 4.519 -0.781 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CA . . . . . . . . . c30744_6wpb 1 . 10 . 1932 . 1 1 9 ILE CB C 13.673 4.025 -2.196 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CB . . . . . . . . . c30744_6wpb 1 . 10 . 1933 . 1 1 9 ILE CD1 C 12.612 2.986 -4.210 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CD1 . . . . . . . . . c30744_6wpb 1 . 10 . 1934 . 1 1 9 ILE CG1 C 12.497 3.185 -2.698 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG1 . . . . . . . . . c30744_6wpb 1 . 10 . 1935 . 1 1 9 ILE CG2 C 14.947 3.173 -2.195 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG2 . . . . . . . . . c30744_6wpb 1 . 10 . 1936 . 1 1 9 ILE H H 11.937 5.759 -1.745 . . . 1.0 . . . . . . . . . . . . A . 9 ILE H . . . . . . . . . c30744_6wpb 1 . 10 . 1937 . 1 1 9 ILE HA H 13.038 3.681 -0.180 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HA . . . . . . . . . c30744_6wpb 1 . 10 . 1938 . 1 1 9 ILE HB H 13.811 4.877 -2.845 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HB . . . . . . . . . c30744_6wpb 1 . 10 . 1939 . 1 1 9 ILE HD11 H 13.632 2.735 -4.462 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD11 . . . . . . . . . c30744_6wpb 1 . 10 . 1940 . 1 1 9 ILE HD12 H 12.330 3.898 -4.715 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD12 . . . . . . . . . c30744_6wpb 1 . 10 . 1941 . 1 1 9 ILE HD13 H 11.957 2.186 -4.516 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD13 . . . . . . . . . c30744_6wpb 1 . 10 . 1942 . 1 1 9 ILE HG12 H 12.505 2.226 -2.206 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG12 . . . . . . . . . c30744_6wpb 1 . 10 . 1943 . 1 1 9 ILE HG13 H 11.569 3.693 -2.474 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG13 . . . . . . . . . c30744_6wpb 1 . 10 . 1944 . 1 1 9 ILE HG21 H 14.890 2.436 -1.407 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG21 . . . . . . . . . c30744_6wpb 1 . 10 . 1945 . 1 1 9 ILE HG22 H 15.805 3.808 -2.034 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG22 . . . . . . . . . c30744_6wpb 1 . 10 . 1946 . 1 1 9 ILE HG23 H 15.042 2.675 -3.148 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG23 . . . . . . . . . c30744_6wpb 1 . 10 . 1947 . 1 1 9 ILE N N 12.270 5.492 -0.864 . . . 1.0 . . . . . . . . . . . . A . 9 ILE N . . . . . . . . . c30744_6wpb 1 . 10 . 1948 . 1 1 9 ILE O O 15.268 4.526 0.679 . . . 1.0 . . . . . . . . . . . . A . 9 ILE O . . . . . . . . . c30744_6wpb 1 . 10 . 1949 . 1 1 10 ALA C C 15.978 7.270 1.444 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c30744_6wpb 1 . 10 . 1950 . 1 1 10 ALA CA C 16.080 7.073 -0.064 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c30744_6wpb 1 . 10 . 1951 . 1 1 10 ALA CB C 16.185 8.439 -0.752 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c30744_6wpb 1 . 10 . 1952 . 1 1 10 ALA H H 14.340 6.796 -1.242 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c30744_6wpb 1 . 10 . 1953 . 1 1 10 ALA HA H 16.963 6.501 -0.286 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c30744_6wpb 1 . 10 . 1954 . 1 1 10 ALA HB1 H 15.202 8.884 -0.814 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 10 . 1955 . 1 1 10 ALA HB2 H 16.585 8.313 -1.745 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 10 . 1956 . 1 1 10 ALA HB3 H 16.835 9.087 -0.180 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 10 . 1957 . 1 1 10 ALA N N 14.908 6.365 -0.570 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c30744_6wpb 1 . 10 . 1958 . 1 1 10 ALA O O 16.953 7.100 2.178 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c30744_6wpb 1 . 10 . 1959 . 1 1 11 LYS C C 14.733 6.607 4.122 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c30744_6wpb 1 . 10 . 1960 . 1 1 11 LYS CA C 14.538 7.875 3.303 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c30744_6wpb 1 . 10 . 1961 . 1 1 11 LYS CB C 13.119 8.400 3.464 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c30744_6wpb 1 . 10 . 1962 . 1 1 11 LYS CD C 13.371 10.677 4.478 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c30744_6wpb 1 . 10 . 1963 . 1 1 11 LYS CE C 13.404 12.178 4.211 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c30744_6wpb 1 . 10 . 1964 . 1 1 11 LYS CG C 13.103 9.912 3.178 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c30744_6wpb 1 . 10 . 1965 . 1 1 11 LYS H H 14.062 7.766 1.244 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c30744_6wpb 1 . 10 . 1966 . 1 1 11 LYS HA H 15.208 8.629 3.647 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c30744_6wpb 1 . 10 . 1967 . 1 1 11 LYS HB2 H 12.485 7.891 2.760 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c30744_6wpb 1 . 10 . 1968 . 1 1 11 LYS HB3 H 12.766 8.211 4.469 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c30744_6wpb 1 . 10 . 1969 . 1 1 11 LYS HD2 H 12.585 10.459 5.185 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c30744_6wpb 1 . 10 . 1970 . 1 1 11 LYS HD3 H 14.319 10.366 4.890 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c30744_6wpb 1 . 10 . 1971 . 1 1 11 LYS HE2 H 14.199 12.403 3.516 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c30744_6wpb 1 . 10 . 1972 . 1 1 11 LYS HE3 H 12.459 12.493 3.790 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c30744_6wpb 1 . 10 . 1973 . 1 1 11 LYS HG2 H 13.864 10.162 2.448 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c30744_6wpb 1 . 10 . 1974 . 1 1 11 LYS HG3 H 12.152 10.182 2.798 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c30744_6wpb 1 . 10 . 1975 . 1 1 11 LYS HZ1 H 13.577 13.915 5.345 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c30744_6wpb 1 . 10 . 1976 . 1 1 11 LYS HZ2 H 14.591 12.650 5.852 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c30744_6wpb 1 . 10 . 1977 . 1 1 11 LYS HZ3 H 12.927 12.596 6.192 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c30744_6wpb 1 . 10 . 1978 . 1 1 11 LYS N N 14.790 7.641 1.888 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c30744_6wpb 1 . 10 . 1979 . 1 1 11 LYS NZ N 13.644 12.889 5.496 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c30744_6wpb 1 . 10 . 1980 . 1 1 11 LYS O O 15.302 6.635 5.212 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c30744_6wpb 1 . 10 . 1981 . 1 1 12 ALA C C 15.807 3.786 4.361 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c30744_6wpb 1 . 10 . 1982 . 1 1 12 ALA CA C 14.348 4.215 4.249 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c30744_6wpb 1 . 10 . 1983 . 1 1 12 ALA CB C 13.569 3.169 3.452 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c30744_6wpb 1 . 10 . 1984 . 1 1 12 ALA H H 13.799 5.560 2.713 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c30744_6wpb 1 . 10 . 1985 . 1 1 12 ALA HA H 13.926 4.291 5.235 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c30744_6wpb 1 . 10 . 1986 . 1 1 12 ALA HB1 H 13.720 2.195 3.891 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 10 . 1987 . 1 1 12 ALA HB2 H 13.924 3.161 2.432 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 10 . 1988 . 1 1 12 ALA HB3 H 12.518 3.416 3.465 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 10 . 1989 . 1 1 12 ALA N N 14.245 5.505 3.581 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c30744_6wpb 1 . 10 . 1990 . 1 1 12 ALA O O 16.231 3.224 5.370 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c30744_6wpb 1 . 10 . 1991 . 1 1 13 ALA C C 18.766 4.423 4.334 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c30744_6wpb 1 . 10 . 1992 . 1 1 13 ALA CA C 17.977 3.688 3.257 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c30744_6wpb 1 . 10 . 1993 . 1 1 13 ALA CB C 18.552 4.031 1.880 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c30744_6wpb 1 . 10 . 1994 . 1 1 13 ALA H H 16.157 4.493 2.529 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c30744_6wpb 1 . 10 . 1995 . 1 1 13 ALA HA H 18.070 2.629 3.418 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c30744_6wpb 1 . 10 . 1996 . 1 1 13 ALA HB1 H 18.086 3.411 1.129 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c30744_6wpb 1 . 10 . 1997 . 1 1 13 ALA HB2 H 19.618 3.859 1.883 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c30744_6wpb 1 . 10 . 1998 . 1 1 13 ALA HB3 H 18.355 5.071 1.658 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c30744_6wpb 1 . 10 . 1999 . 1 1 13 ALA N N 16.563 4.051 3.303 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c30744_6wpb 1 . 10 . 2000 . 1 1 13 ALA O O 19.646 3.851 4.977 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c30744_6wpb 1 . 10 . 2001 . 1 1 14 GLY C C 18.285 7.733 5.885 . . . 1.0 . . . . . . . . . . . . A . 14 GLY C . . . . . . . . . c30744_6wpb 1 . 10 . 2002 . 1 1 14 GLY CA C 19.123 6.512 5.523 . . . 1.0 . . . . . . . . . . . . A . 14 GLY CA . . . . . . . . . c30744_6wpb 1 . 10 . 2003 . 1 1 14 GLY H H 17.735 6.092 3.978 . . . 1.0 . . . . . . . . . . . . A . 14 GLY H . . . . . . . . . c30744_6wpb 1 . 10 . 2004 . 1 1 14 GLY HA2 H 19.293 5.919 6.408 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA2 . . . . . . . . . c30744_6wpb 1 . 10 . 2005 . 1 1 14 GLY HA3 H 20.073 6.840 5.125 . . . 1.0 . . . . . . . . . . . . A . 14 GLY HA3 . . . . . . . . . c30744_6wpb 1 . 10 . 2006 . 1 1 14 GLY N N 18.445 5.694 4.523 . . . 1.0 . . . . . . . . . . . . A . 14 GLY N . . . . . . . . . c30744_6wpb 1 . 10 . 2007 . 1 1 14 GLY O O 17.553 7.716 6.870 . . . 1.0 . . . . . . . . . . . . A . 14 GLY O . . . . . . . . . c30744_6wpb 1 . 10 . 2008 . 1 1 15 NH2 HN1 H 18.931 8.812 4.345 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30744_6wpb 1 . 10 . 2009 . 1 1 15 NH2 HN2 H 17.807 9.586 5.355 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c30744_6wpb 1 . 10 . 2010 . 1 1 15 NH2 N N 18.346 8.799 5.133 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30744_6wpb 1 stop_ save_ save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID c30744_6wpb _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 6wpb.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c30744_6wpb 1 1 6wpb.mr . . XPLOR/CNS 2 'dihedral angle' 'Not applicable' 'Not applicable' 24 c30744_6wpb 1 1 6wpb.mr . . DYANA/DIANA 3 distance NOE simple 0 c30744_6wpb 1 1 6wpb.mr . . 'MR format' 4 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c30744_6wpb 1 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID c30744_6wpb _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c30744_6wpb 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 'Restraints file 2: noesy_sds_novo_check_gr.tbl' 1 1 1 48 c30744_6wpb 1 2 ') 3 HA) 3.400 1.600' 33 12 33 45 c30744_6wpb 1 3 ') 3 HA) 3.400 1.600' 37 12 37 45 c30744_6wpb 1 4 ) 65 11 65 40 c30744_6wpb 1 5 ') 5.000 3.200' 68 11 68 40 c30744_6wpb 1 6 ') 5.000 3.200' 74 11 74 40 c30744_6wpb 1 7 ) 75 11 75 40 c30744_6wpb 1 8 ') 5.000 3.200' 92 12 92 40 c30744_6wpb 1 9 ) 93 12 93 40 c30744_6wpb 1 10 ) 133 11 133 40 c30744_6wpb 1 11 ') 5.000 3.200' 136 11 136 40 c30744_6wpb 1 12 ') 3.400 1.600' 142 11 142 40 c30744_6wpb 1 13 ) 143 11 143 40 c30744_6wpb 1 14 ) 161 11 161 40 c30744_6wpb 1 15 ') 5.000 3.200' 164 11 164 40 c30744_6wpb 1 16 ') 3.400 1.600' 170 11 170 40 c30744_6wpb 1 17 ) 171 11 171 40 c30744_6wpb 1 18 ) 191 11 191 40 c30744_6wpb 1 19 ') 5.000 3.200' 194 11 194 40 c30744_6wpb 1 20 ') 3.400 1.600' 200 11 200 40 c30744_6wpb 1 21 ) 201 11 201 40 c30744_6wpb 1 22 ) 203 11 203 40 c30744_6wpb 1 23 ') 2.800 1.000' 210 11 210 40 c30744_6wpb 1 24 ) 211 11 211 40 c30744_6wpb 1 25 ) 218 11 218 40 c30744_6wpb 1 26 ') 5.000 3.200' 221 11 221 40 c30744_6wpb 1 27 ') 5.000 3.200' 239 11 239 40 c30744_6wpb 1 28 ) 240 11 240 40 c30744_6wpb 1 29 ') 5.000 3.200' 259 11 259 40 c30744_6wpb 1 30 ) 260 11 260 40 c30744_6wpb 1 31 ') 5.000 3.200' 273 11 273 40 c30744_6wpb 1 32 ) 274 11 274 40 c30744_6wpb 1 33 ') 3.400 1.600' 283 11 283 40 c30744_6wpb 1 34 ') 5.000 3.200' 344 11 344 40 c30744_6wpb 1 stop_ loop_ _Gen_dist_constraint_parse_err.ID _Gen_dist_constraint_parse_err.Content _Gen_dist_constraint_parse_err.Begin_line _Gen_dist_constraint_parse_err.Begin_column _Gen_dist_constraint_parse_err.End_line _Gen_dist_constraint_parse_err.End_column _Gen_dist_constraint_parse_err.Entry_ID _Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID 1 INTRARRESIDUAIS 2 1 2 49 c30744_6wpb 1 2 ') 2 HA) 5.000 3.200' 3 11 4 41 c30744_6wpb 1 3 ') 2 HB) 2.800 1.000' 5 11 6 41 c30744_6wpb 1 4 ') 2 HD1#) 3.400 1.600' 7 11 8 41 c30744_6wpb 1 5 ') 2 HG11) 5.000 3.200' 9 11 10 41 c30744_6wpb 1 6 ') 2 HA) 2.800 1.000' 11 13 12 41 c30744_6wpb 1 7 ') 2 HG12) 5.000 3.200' 13 11 14 41 c30744_6wpb 1 8 ') 2 HA) 3.400 1.600' 15 11 16 41 c30744_6wpb 1 9 ') 2 HN) 3.400 1.600' 17 11 18 41 c30744_6wpb 1 10 ') 2 HB) 3.400 1.600' 19 11 20 41 c30744_6wpb 1 11 ') 2 HN) 5.000 3.200' 21 11 22 41 c30744_6wpb 1 12 ') 2 HD1#) 5.000 3.200' 23 11 24 41 c30744_6wpb 1 13 ') 2 HG11) 5.000 3.200' 25 11 26 41 c30744_6wpb 1 14 ') 2 HG12) 3.400 1.600' 27 11 28 41 c30744_6wpb 1 15 ') 3 HA) 3.400 1.600' 29 12 30 41 c30744_6wpb 1 16 ') 3 HB2) 3.400 1.600' 31 11 32 41 c30744_6wpb 1 17 ') 3 HD1#) 5.000 3.200' 35 11 36 41 c30744_6wpb 1 18 ') 3 HA) 5.000 3.200' 39 11 40 41 c30744_6wpb 1 19 ') 3 HA) 3.400 1.600' 41 11 42 41 c30744_6wpb 1 20 ') 3 HN) 5.000 3.200' 43 11 44 41 c30744_6wpb 1 21 ') 3 HB1) 5.000 3.200' 45 11 46 41 c30744_6wpb 1 22 ') 3 HN) 5.000 3.200' 47 12 48 41 c30744_6wpb 1 23 ') 3 HB2) 5.000 3.200' 49 11 50 41 c30744_6wpb 1 24 ') 3 HN) 2.800 1.000' 51 12 52 41 c30744_6wpb 1 25 ') 4 HA) 2.800 1.000' 53 12 54 41 c30744_6wpb 1 26 ') 4 HB1) 5.000 3.200' 55 11 56 41 c30744_6wpb 1 27 ') 4 HA) 5.000 3.200' 57 11 58 41 c30744_6wpb 1 28 ') 4 HN) 5.000 3.200' 59 11 60 41 c30744_6wpb 1 29 ) 61 11 61 41 c30744_6wpb 1 30 ') 5.000 3.200' 62 12 62 41 c30744_6wpb 1 31 ) 63 12 63 41 c30744_6wpb 1 32 ') 5.000 3.200' 64 11 64 41 c30744_6wpb 1 33 ') 3.400 1.600' 66 11 66 41 c30744_6wpb 1 34 ) 67 11 67 41 c30744_6wpb 1 35 ) 69 11 69 41 c30744_6wpb 1 36 ') 3.400 1.600' 70 11 70 41 c30744_6wpb 1 37 ) 71 11 71 41 c30744_6wpb 1 38 ') 5.000 3.200' 72 11 72 41 c30744_6wpb 1 39 ) 73 11 73 41 c30744_6wpb 1 40 ') 5.000 3.200' 76 11 76 41 c30744_6wpb 1 41 ) 77 11 77 41 c30744_6wpb 1 42 ') 5.000 3.200' 78 11 78 41 c30744_6wpb 1 43 ) 79 11 79 41 c30744_6wpb 1 44 ') 3.400 1.600' 80 11 80 41 c30744_6wpb 1 45 ) 81 13 81 41 c30744_6wpb 1 46 ') 2.800 1.000' 82 11 82 41 c30744_6wpb 1 47 ) 83 13 83 41 c30744_6wpb 1 48 ') 2.800 1.000' 84 11 84 41 c30744_6wpb 1 49 ) 85 11 85 41 c30744_6wpb 1 50 ') 2.800 1.000' 86 13 86 41 c30744_6wpb 1 51 ) 87 11 87 41 c30744_6wpb 1 52 ') 5.000 3.200' 88 13 88 41 c30744_6wpb 1 53 ) 89 13 89 41 c30744_6wpb 1 54 ') 3.400 1.600' 90 11 90 41 c30744_6wpb 1 55 ) 91 13 91 41 c30744_6wpb 1 56 ') 5.000 3.200' 94 13 94 41 c30744_6wpb 1 57 ) 95 11 95 41 c30744_6wpb 1 58 ') 3.400 1.600' 96 11 96 41 c30744_6wpb 1 59 ) 97 11 97 41 c30744_6wpb 1 60 ') 5.000 3.200' 98 11 98 41 c30744_6wpb 1 61 ) 99 11 99 41 c30744_6wpb 1 62 ') 5.000 3.200' 100 11 100 41 c30744_6wpb 1 63 ) 101 11 101 41 c30744_6wpb 1 64 ') 5.000 3.200' 102 11 102 41 c30744_6wpb 1 65 ) 103 11 103 41 c30744_6wpb 1 66 ') 5.000 3.200' 104 12 104 41 c30744_6wpb 1 67 ) 105 12 105 41 c30744_6wpb 1 68 ') 3.400 1.600' 106 11 106 41 c30744_6wpb 1 69 ) 107 11 107 41 c30744_6wpb 1 70 ') 2.800 1.000' 108 12 108 41 c30744_6wpb 1 71 ) 109 12 109 41 c30744_6wpb 1 72 ') 3.400 1.600' 110 11 110 41 c30744_6wpb 1 73 ) 111 12 111 41 c30744_6wpb 1 74 ') 5.000 3.200' 112 11 112 41 c30744_6wpb 1 75 ) 113 11 113 41 c30744_6wpb 1 76 ') 3.400 1.600' 114 12 114 41 c30744_6wpb 1 77 ) 115 11 115 41 c30744_6wpb 1 78 ') 2.800 1.000' 116 11 116 41 c30744_6wpb 1 79 ) 117 11 117 41 c30744_6wpb 1 80 ') 5.000 3.200' 118 11 118 41 c30744_6wpb 1 81 ) 119 11 119 41 c30744_6wpb 1 82 ') 5.000 3.200' 120 12 120 41 c30744_6wpb 1 83 ) 121 12 121 41 c30744_6wpb 1 84 ') 5.000 3.200' 122 11 122 41 c30744_6wpb 1 85 ) 123 11 123 41 c30744_6wpb 1 86 ') 5.000 3.200' 124 12 124 41 c30744_6wpb 1 87 ) 125 12 125 41 c30744_6wpb 1 88 ') 5.000 3.200' 126 12 126 41 c30744_6wpb 1 89 ) 127 12 127 41 c30744_6wpb 1 90 ') 5.000 3.200' 128 12 128 41 c30744_6wpb 1 91 ) 129 12 129 41 c30744_6wpb 1 92 ') 5.000 3.200' 130 12 130 41 c30744_6wpb 1 93 ) 131 12 131 41 c30744_6wpb 1 94 ') 5.000 3.200' 132 12 132 41 c30744_6wpb 1 95 ') 5.000 3.200' 134 11 134 41 c30744_6wpb 1 96 ) 135 11 135 41 c30744_6wpb 1 97 ) 137 11 137 41 c30744_6wpb 1 98 ') 3.400 1.600' 138 11 138 41 c30744_6wpb 1 99 ) 139 11 139 41 c30744_6wpb 1 100 ') 3.400 1.600' 140 11 140 41 c30744_6wpb 1 101 ) 141 11 141 41 c30744_6wpb 1 102 ') 3.400 1.600' 144 11 144 41 c30744_6wpb 1 103 ) 145 11 145 41 c30744_6wpb 1 104 ') 5.000 3.200' 146 11 146 41 c30744_6wpb 1 105 ) 147 11 147 41 c30744_6wpb 1 106 ') 5.000 3.200' 148 11 148 41 c30744_6wpb 1 107 ) 149 13 149 41 c30744_6wpb 1 108 ') 3.400 1.600' 150 11 150 41 c30744_6wpb 1 109 ) 151 13 151 41 c30744_6wpb 1 110 ') 2.800 1.000' 152 11 152 41 c30744_6wpb 1 111 ) 153 11 153 41 c30744_6wpb 1 112 ') 2.800 1.000' 154 13 154 41 c30744_6wpb 1 113 ) 155 11 155 41 c30744_6wpb 1 114 ') 5.000 3.200' 156 11 156 41 c30744_6wpb 1 115 ) 157 11 157 41 c30744_6wpb 1 116 ') 3.400 1.600' 158 11 158 41 c30744_6wpb 1 117 ) 159 11 159 41 c30744_6wpb 1 118 ') 5.000 3.200' 160 11 160 41 c30744_6wpb 1 119 ') 2.800 1.000' 162 11 162 41 c30744_6wpb 1 120 ) 163 11 163 41 c30744_6wpb 1 121 ) 165 11 165 41 c30744_6wpb 1 122 ') 2.800 1.000' 166 11 166 41 c30744_6wpb 1 123 ) 167 11 167 41 c30744_6wpb 1 124 ') 3.400 1.600' 168 11 168 41 c30744_6wpb 1 125 ) 169 11 169 41 c30744_6wpb 1 126 ') 5.000 3.200' 172 11 172 41 c30744_6wpb 1 127 ) 173 12 173 41 c30744_6wpb 1 128 ') 2.800 1.000' 174 11 174 41 c30744_6wpb 1 129 ) 175 11 175 41 c30744_6wpb 1 130 ') 2.800 1.000' 176 12 176 41 c30744_6wpb 1 131 ) 177 11 177 41 c30744_6wpb 1 132 ') 3.400 1.600' 178 12 178 41 c30744_6wpb 1 133 ) 179 12 179 41 c30744_6wpb 1 134 ') 2.800 1.000' 180 11 180 41 c30744_6wpb 1 135 ) 181 12 181 41 c30744_6wpb 1 136 ') 2.800 1.000' 182 11 182 41 c30744_6wpb 1 137 ) 183 11 183 41 c30744_6wpb 1 138 ') 2.800 1.000' 184 11 184 41 c30744_6wpb 1 139 ) 185 11 185 41 c30744_6wpb 1 140 ') 3.400 1.600' 186 11 186 41 c30744_6wpb 1 141 ) 187 11 187 41 c30744_6wpb 1 142 ') 3.400 1.600' 188 12 188 41 c30744_6wpb 1 143 ) 189 12 189 41 c30744_6wpb 1 144 ') 5.000 3.200' 190 11 190 41 c30744_6wpb 1 145 ') 2.800 1.000' 192 11 192 41 c30744_6wpb 1 146 ) 193 11 193 41 c30744_6wpb 1 147 ) 195 11 195 41 c30744_6wpb 1 148 ') 5.000 3.200' 196 11 196 41 c30744_6wpb 1 149 ) 197 11 197 41 c30744_6wpb 1 150 ') 5.000 3.200' 198 11 198 41 c30744_6wpb 1 151 ) 199 11 199 41 c30744_6wpb 1 152 ') 5.000 3.200' 202 11 202 41 c30744_6wpb 1 153 ') 3.400 1.600' 204 11 204 41 c30744_6wpb 1 154 ) 205 11 205 41 c30744_6wpb 1 155 ') 2.800 1.000' 206 11 206 41 c30744_6wpb 1 156 ) 207 11 207 41 c30744_6wpb 1 157 ') 3.400 1.600' 208 11 208 41 c30744_6wpb 1 158 ) 209 11 209 41 c30744_6wpb 1 159 ') 5.000 3.200' 212 11 212 41 c30744_6wpb 1 160 ) 213 12 213 41 c30744_6wpb 1 161 ') 2.800 1.000' 214 11 214 41 c30744_6wpb 1 162 ) 215 11 215 41 c30744_6wpb 1 163 ') 5.000 3.200 MEDIA' 216 12 217 41 c30744_6wpb 1 164 ') 5.000 3.200' 219 11 219 41 c30744_6wpb 1 165 ) 220 11 220 41 c30744_6wpb 1 166 ) 222 11 222 41 c30744_6wpb 1 167 ') 5.000 3.200' 223 11 223 41 c30744_6wpb 1 168 ) 224 11 224 41 c30744_6wpb 1 169 ') 5.000 3.200' 225 11 225 41 c30744_6wpb 1 170 ) 226 11 226 41 c30744_6wpb 1 171 ') 5.000 3.200' 227 11 227 41 c30744_6wpb 1 172 ) 228 11 228 41 c30744_6wpb 1 173 ') 5.000 3.200' 229 11 229 41 c30744_6wpb 1 174 ) 230 11 230 41 c30744_6wpb 1 175 ') 5.000 3.200' 231 11 231 41 c30744_6wpb 1 176 ) 232 11 232 41 c30744_6wpb 1 177 ') 5.000 3.200' 233 11 233 41 c30744_6wpb 1 178 ) 234 12 234 41 c30744_6wpb 1 179 ') 5.000 3.200' 235 11 235 41 c30744_6wpb 1 180 ) 236 11 236 41 c30744_6wpb 1 181 ') 5.000 3.200' 237 11 237 41 c30744_6wpb 1 182 ) 238 11 238 41 c30744_6wpb 1 183 ') 5.000 3.200' 241 11 241 41 c30744_6wpb 1 184 ) 242 11 242 41 c30744_6wpb 1 185 ') 5.000 3.200' 243 11 243 41 c30744_6wpb 1 186 ) 244 11 244 41 c30744_6wpb 1 187 ') 5.000 3.200' 245 11 245 41 c30744_6wpb 1 188 ) 246 11 246 41 c30744_6wpb 1 189 ') 3.400 1.600' 247 11 247 41 c30744_6wpb 1 190 ) 248 11 248 41 c30744_6wpb 1 191 ') 5.000 3.200' 249 11 249 41 c30744_6wpb 1 192 ) 250 11 250 41 c30744_6wpb 1 193 ') 5.000 3.200' 251 11 251 41 c30744_6wpb 1 194 ) 252 11 252 41 c30744_6wpb 1 195 ') 5.000 3.200' 253 11 253 41 c30744_6wpb 1 196 ) 254 11 254 41 c30744_6wpb 1 197 ') 5.000 3.200' 255 11 255 41 c30744_6wpb 1 198 ) 256 11 256 41 c30744_6wpb 1 199 ') 5.000 3.200' 257 11 257 41 c30744_6wpb 1 200 ) 258 11 258 41 c30744_6wpb 1 201 ') 5.000 3.200' 261 11 261 41 c30744_6wpb 1 202 ) 262 11 262 41 c30744_6wpb 1 203 ') 5.000 3.200' 263 11 263 41 c30744_6wpb 1 204 ) 264 11 264 41 c30744_6wpb 1 205 ') 5.000 3.200' 265 11 265 41 c30744_6wpb 1 206 ) 266 12 266 41 c30744_6wpb 1 207 ') 3.400 1.600' 267 11 267 41 c30744_6wpb 1 208 ) 268 11 268 41 c30744_6wpb 1 209 ') 3.400 1.600' 269 12 269 41 c30744_6wpb 1 210 ) 270 11 270 41 c30744_6wpb 1 211 ') 5.000 3.200' 271 11 271 41 c30744_6wpb 1 212 ) 272 11 272 41 c30744_6wpb 1 213 ') 3.400 1.600' 275 11 275 41 c30744_6wpb 1 214 ) 276 11 276 41 c30744_6wpb 1 215 ') 5.000 3.200' 277 11 277 41 c30744_6wpb 1 216 ) 278 11 278 41 c30744_6wpb 1 217 ') 5.000 3.200' 279 11 279 41 c30744_6wpb 1 218 ) 280 11 280 41 c30744_6wpb 1 219 ') 5.000 3.200' 281 11 281 41 c30744_6wpb 1 220 ) 282 11 282 41 c30744_6wpb 1 221 ) 284 11 284 41 c30744_6wpb 1 222 ') 5.000 3.200' 285 11 285 41 c30744_6wpb 1 223 ) 286 11 286 41 c30744_6wpb 1 224 ') 5.000 3.200 SEQUENCIAIS' 287 11 288 49 c30744_6wpb 1 225 ) 289 11 289 41 c30744_6wpb 1 226 ') 3.400 1.600' 290 12 290 41 c30744_6wpb 1 227 ) 291 11 291 41 c30744_6wpb 1 228 ') 5.000 3.200' 292 12 292 41 c30744_6wpb 1 229 ) 293 11 293 41 c30744_6wpb 1 230 ') 5.000 3.200' 294 11 294 41 c30744_6wpb 1 231 ) 295 11 295 41 c30744_6wpb 1 232 ') 5.000 3.200' 296 11 296 41 c30744_6wpb 1 233 ) 297 11 297 41 c30744_6wpb 1 234 ') 5.000 3.200' 298 11 298 41 c30744_6wpb 1 235 ) 299 11 299 41 c30744_6wpb 1 236 ') 5.000 3.200' 300 11 300 41 c30744_6wpb 1 237 ) 301 12 301 41 c30744_6wpb 1 238 ') 3.400 1.600' 302 11 302 41 c30744_6wpb 1 239 ) 303 11 303 41 c30744_6wpb 1 240 ') 3.400 1.600' 304 12 304 41 c30744_6wpb 1 241 ) 305 11 305 41 c30744_6wpb 1 242 ') 5.000 3.200' 306 11 306 41 c30744_6wpb 1 243 ) 307 11 307 41 c30744_6wpb 1 244 ') 3.400 1.600' 308 11 308 41 c30744_6wpb 1 245 ) 309 11 309 41 c30744_6wpb 1 246 ') 5.000 3.200' 310 11 310 41 c30744_6wpb 1 247 ) 311 12 311 41 c30744_6wpb 1 248 ') 5.000 3.200' 312 11 312 41 c30744_6wpb 1 249 ) 313 11 313 41 c30744_6wpb 1 250 ') 5.000 3.200' 314 12 314 41 c30744_6wpb 1 251 ) 315 11 315 41 c30744_6wpb 1 252 ') 2.800 1.000' 316 11 316 41 c30744_6wpb 1 253 ) 317 11 317 41 c30744_6wpb 1 254 ') 5.000 3.200' 318 11 318 41 c30744_6wpb 1 255 ) 319 11 319 41 c30744_6wpb 1 256 ') 5.000 3.200' 320 11 320 41 c30744_6wpb 1 257 ) 321 11 321 41 c30744_6wpb 1 258 ') 5.000 3.200' 322 11 322 41 c30744_6wpb 1 259 ) 323 11 323 41 c30744_6wpb 1 260 ') 5.000 3.200' 324 11 324 41 c30744_6wpb 1 261 ) 325 11 325 41 c30744_6wpb 1 262 ') 5.000 3.200' 326 11 326 41 c30744_6wpb 1 263 ) 327 11 327 41 c30744_6wpb 1 264 ') 5.000 3.200' 328 11 328 41 c30744_6wpb 1 265 ) 329 11 329 41 c30744_6wpb 1 266 ') 5.000 3.200' 330 11 330 41 c30744_6wpb 1 267 ) 331 11 331 41 c30744_6wpb 1 268 ') 5.000 3.200' 332 11 332 41 c30744_6wpb 1 269 ) 333 11 333 41 c30744_6wpb 1 270 ') 3.400 1.600' 334 12 334 41 c30744_6wpb 1 271 ) 335 12 335 41 c30744_6wpb 1 272 ') 5.000 3.200' 336 11 336 41 c30744_6wpb 1 273 ) 337 11 337 41 c30744_6wpb 1 274 ') 5.000 3.200' 338 11 338 41 c30744_6wpb 1 275 ) 339 11 339 41 c30744_6wpb 1 276 ') 5.000 3.200' 340 11 340 41 c30744_6wpb 1 277 ) 341 11 341 41 c30744_6wpb 1 278 ') 3.400 1.600' 342 11 342 41 c30744_6wpb 1 279 ) 343 11 343 41 c30744_6wpb 1 280 ) 345 11 345 41 c30744_6wpb 1 281 ') 5.000 3.200' 346 11 346 41 c30744_6wpb 1 282 ) 347 11 347 41 c30744_6wpb 1 283 ') 5.000 3.200' 348 11 348 41 c30744_6wpb 1 284 ) 349 11 349 41 c30744_6wpb 1 285 ') 5.000 3.200' 350 11 350 41 c30744_6wpb 1 286 ) 351 11 351 41 c30744_6wpb 1 287 ') 5.000 3.200' 352 11 352 41 c30744_6wpb 1 288 ) 353 11 353 41 c30744_6wpb 1 289 ') 5.000 3.200' 354 11 354 41 c30744_6wpb 1 290 ) 355 11 355 41 c30744_6wpb 1 291 ') 5.000 3.200' 356 11 356 41 c30744_6wpb 1 292 ) 357 11 357 41 c30744_6wpb 1 293 ') 5.000 3.200' 358 11 358 41 c30744_6wpb 1 294 ) 359 11 359 41 c30744_6wpb 1 295 ') 5.000 3.200' 360 11 360 41 c30744_6wpb 1 296 ) 361 11 361 41 c30744_6wpb 1 297 ') 3.400 1.600' 362 11 362 41 c30744_6wpb 1 298 ) 363 11 363 41 c30744_6wpb 1 299 ') 5.000 3.200' 364 11 364 41 c30744_6wpb 1 300 ) 365 11 365 41 c30744_6wpb 1 301 ') 5.000 3.200' 366 11 366 41 c30744_6wpb 1 302 ) 367 11 367 41 c30744_6wpb 1 303 ') 3.400 1.600' 368 11 368 41 c30744_6wpb 1 304 ) 369 11 369 41 c30744_6wpb 1 305 ') 5.000 3.200' 370 11 370 41 c30744_6wpb 1 306 ) 371 11 371 41 c30744_6wpb 1 307 ') 3.400 1.600' 372 12 372 41 c30744_6wpb 1 308 ) 373 11 373 41 c30744_6wpb 1 309 ') 3.400 1.600' 374 11 374 41 c30744_6wpb 1 310 ) 375 11 375 41 c30744_6wpb 1 311 ') 2.800 1.000' 376 11 376 41 c30744_6wpb 1 312 ) 377 11 377 41 c30744_6wpb 1 313 ') 2.800 1.000' 378 11 378 41 c30744_6wpb 1 314 ) 379 11 379 41 c30744_6wpb 1 315 ') 3.400 1.600' 380 11 380 41 c30744_6wpb 1 316 ) 381 11 381 41 c30744_6wpb 1 317 ') 5.000 3.200' 382 11 382 41 c30744_6wpb 1 318 ) 383 11 383 41 c30744_6wpb 1 319 ') 5.000 3.200' 384 11 384 41 c30744_6wpb 1 stop_ save_ save_CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Entry_ID c30744_6wpb _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 2 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . c30744_6wpb 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . 1 1 1 1 GLY C C . . 1 1 2 2 ILE N N . . 1 1 2 2 ILE CA C . . 1 1 2 2 ILE C C . -72.56 -40.60 . . . A . 1 GLY C . . A . 2 ILE N . . A . 2 ILE CA . . A . 2 ILE C . . . 1 . C . . . . . 2 . N . . . . . 2 . CA . . . . . 2 . C . . c30744_6wpb 1 2 . . 1 1 2 2 ILE C C . . 1 1 3 3 LEU N N . . 1 1 3 3 LEU CA C . . 1 1 3 3 LEU C C . -72.36 -57.12 . . . A . 2 ILE C . . A . 3 LEU N . . A . 3 LEU CA . . A . 3 LEU C . . . 2 . C . . . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . c30744_6wpb 1 3 . . 1 1 3 3 LEU C C . . 1 1 4 4 ASP N N . . 1 1 4 4 ASP CA C . . 1 1 4 4 ASP C C . -77.91 -53.43 . . . A . 3 LEU C . . A . 4 ASP N . . A . 4 ASP CA . . A . 4 ASP C . . . 3 . C . . . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . c30744_6wpb 1 4 . . 1 1 4 4 ASP C C . . 1 1 5 5 ALA N N . . 1 1 5 5 ALA CA C . . 1 1 5 5 ALA C C . -89.68 -49.10 . . . A . 4 ASP C . . A . 5 ALA N . . A . 5 ALA CA . . A . 5 ALA C . . . 4 . C . . . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . c30744_6wpb 1 5 . . 1 1 5 5 ALA C C . . 1 1 6 6 ILE N N . . 1 1 6 6 ILE CA C . . 1 1 6 6 ILE C C . -72.70 -55.28 . . . A . 5 ALA C . . A . 6 ILE N . . A . 6 ILE CA . . A . 6 ILE C . . . 5 . C . . . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . c30744_6wpb 1 6 . . 1 1 6 6 ILE C C . . 1 1 7 7 LYS N N . . 1 1 7 7 LYS CA C . . 1 1 7 7 LYS C C . -70.07 -49.97 . . . A . 6 ILE C . . A . 7 LYS N . . A . 7 LYS CA . . A . 7 LYS C . . . 6 . C . . . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . c30744_6wpb 1 7 . . 1 1 7 7 LYS C C . . 1 1 8 8 ALA N N . . 1 1 8 8 ALA CA C . . 1 1 8 8 ALA C C . -67.28 -58.10 . . . A . 7 LYS C . . A . 8 ALA N . . A . 8 ALA CA . . A . 8 ALA C . . . 7 . C . . . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . c30744_6wpb 1 8 . . 1 1 8 8 ALA C C . . 1 1 9 9 ILE N N . . 1 1 9 9 ILE CA C . . 1 1 9 9 ILE C C . -74.99 -54.49 . . . A . 8 ALA C . . A . 9 ILE N . . A . 9 ILE CA . . A . 9 ILE C . . . 8 . C . . . . . 9 . N . . . . . 9 . CA . . . . . 9 . C . . c30744_6wpb 1 9 . . 1 1 9 9 ILE C C . . 1 1 10 10 ALA N N . . 1 1 10 10 ALA CA C . . 1 1 10 10 ALA C C . -71.04 -52.54 . . . A . 9 ILE C . . A . 10 ALA N . . A . 10 ALA CA . . A . 10 ALA C . . . 9 . C . . . . . 10 . N . . . . . 10 . CA . . . . . 10 . C . . c30744_6wpb 1 10 . . 1 1 10 10 ALA C C . . 1 1 11 11 LYS N N . . 1 1 11 11 LYS CA C . . 1 1 11 11 LYS C C . -68.31 -58.01 . . . A . 10 ALA C . . A . 11 LYS N . . A . 11 LYS CA . . A . 11 LYS C . . . 10 . C . . . . . 11 . N . . . . . 11 . CA . . . . . 11 . C . . c30744_6wpb 1 11 . . 1 1 11 11 LYS C C . . 1 1 12 12 ALA N N . . 1 1 12 12 ALA CA C . . 1 1 12 12 ALA C C . -76.35 -53.51 . . . A . 11 LYS C . . A . 12 ALA N . . A . 12 ALA CA . . A . 12 ALA C . . . 11 . C . . . . . 12 . N . . . . . 12 . CA . . . . . 12 . C . . c30744_6wpb 1 12 . . 1 1 12 12 ALA C C . . 1 1 13 13 ALA N N . . 1 1 13 13 ALA CA C . . 1 1 13 13 ALA C C . -78.76 -55.62 . . . A . 12 ALA C . . A . 13 ALA N . . A . 13 ALA CA . . A . 13 ALA C . . . 12 . C . . . . . 13 . N . . . . . 13 . CA . . . . . 13 . C . . c30744_6wpb 1 13 . . 1 1 2 2 ILE N N . . 1 1 2 2 ILE CA C . . 1 1 2 2 ILE C C . . 1 1 3 3 LEU N N . -58.10 -24.36 . . . A . 2 ILE N . . A . 2 ILE CA . . A . 2 ILE C . . A . 3 LEU N . . . 2 . N . . . . . 2 . CA . . . . . 2 . C . . . . . 3 . N . . c30744_6wpb 1 14 . . 1 1 3 3 LEU N N . . 1 1 3 3 LEU CA C . . 1 1 3 3 LEU C C . . 1 1 4 4 ASP N N . -53.28 -26.26 . . . A . 3 LEU N . . A . 3 LEU CA . . A . 3 LEU C . . A . 4 ASP N . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . . . . 4 . N . . c30744_6wpb 1 15 . . 1 1 4 4 ASP N N . . 1 1 4 4 ASP CA C . . 1 1 4 4 ASP C C . . 1 1 5 5 ALA N N . -53.38 -28.94 . . . A . 4 ASP N . . A . 4 ASP CA . . A . 4 ASP C . . A . 5 ALA N . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . . . . 5 . N . . c30744_6wpb 1 16 . . 1 1 5 5 ALA N N . . 1 1 5 5 ALA CA C . . 1 1 5 5 ALA C C . . 1 1 6 6 ILE N N . -54.00 -27.94 . . . A . 5 ALA N . . A . 5 ALA CA . . A . 5 ALA C . . A . 6 ILE N . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . . . . 6 . N . . c30744_6wpb 1 17 . . 1 1 6 6 ILE N N . . 1 1 6 6 ILE CA C . . 1 1 6 6 ILE C C . . 1 1 7 7 LYS N N . -53.98 -33.18 . . . A . 6 ILE N . . A . 6 ILE CA . . A . 6 ILE C . . A . 7 LYS N . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . . . . 7 . N . . c30744_6wpb 1 18 . . 1 1 7 7 LYS N N . . 1 1 7 7 LYS CA C . . 1 1 7 7 LYS C C . . 1 1 8 8 ALA N N . -53.00 -29.80 . . . A . 7 LYS N . . A . 7 LYS CA . . A . 7 LYS C . . A . 8 ALA N . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . . . . 8 . N . . c30744_6wpb 1 19 . . 1 1 8 8 ALA N N . . 1 1 8 8 ALA CA C . . 1 1 8 8 ALA C C . . 1 1 9 9 ILE N N . -45.52 -32.08 . . . A . 8 ALA N . . A . 8 ALA CA . . A . 8 ALA C . . A . 9 ILE N . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . . . . 9 . N . . c30744_6wpb 1 20 . . 1 1 9 9 ILE N N . . 1 1 9 9 ILE CA C . . 1 1 9 9 ILE C C . . 1 1 10 10 ALA N N . -53.91 -34.63 . . . A . 9 ILE N . . A . 9 ILE CA . . A . 9 ILE C . . A . 10 ALA N . . . 9 . N . . . . . 9 . CA . . . . . 9 . C . . . . . 10 . N . . c30744_6wpb 1 21 . . 1 1 10 10 ALA N N . . 1 1 10 10 ALA CA C . . 1 1 10 10 ALA C C . . 1 1 11 11 LYS N N . -51.09 -30.27 . . . A . 10 ALA N . . A . 10 ALA CA . . A . 10 ALA C . . A . 11 LYS N . . . 10 . N . . . . . 10 . CA . . . . . 10 . C . . . . . 11 . N . . c30744_6wpb 1 22 . . 1 1 11 11 LYS N N . . 1 1 11 11 LYS CA C . . 1 1 11 11 LYS C C . . 1 1 12 12 ALA N N . -46.22 -24.78 . . . A . 11 LYS N . . A . 11 LYS CA . . A . 11 LYS C . . A . 12 ALA N . . . 11 . N . . . . . 11 . CA . . . . . 11 . C . . . . . 12 . N . . c30744_6wpb 1 23 . . 1 1 12 12 ALA N N . . 1 1 12 12 ALA CA C . . 1 1 12 12 ALA C C . . 1 1 13 13 ALA N N . -64.71 13.71 . . . A . 12 ALA N . . A . 12 ALA CA . . A . 12 ALA C . . A . 13 ALA N . . . 12 . N . . . . . 12 . CA . . . . . 12 . C . . . . . 13 . N . . c30744_6wpb 1 24 . . 1 1 13 13 ALA N N . . 1 1 13 13 ALA CA C . . 1 1 13 13 ALA C C . . 1 1 14 14 GLY N N . -50.33 -25.19 . . . A . 13 ALA N . . A . 13 ALA CA . . A . 13 ALA C . . A . 14 GLY N . . . 13 . N . . . . . 13 . CA . . . . . 13 . C . . . . . 14 . N . . c30744_6wpb 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 '1. I 2 Phi -56.58 +/- 15.98 (-72.56 to -40.60)' 2 1 2 49 c30744_6wpb 1 2 '2. L 3 Phi -64.74 +/- 7.62 (-72.36 to -57.12)' 7 1 7 48 c30744_6wpb 1 3 '3. D 4 Phi -65.67 +/- 12.24 (-77.92 to -53.43)' 12 1 12 49 c30744_6wpb 1 4 '4. A 5 Phi -69.39 +/- 20.29 (-89.68 to -49.11)' 17 1 17 49 c30744_6wpb 1 5 '5. I 6 Phi -63.99 +/- 8.71 (-72.69 to -55.28)' 22 1 22 48 c30744_6wpb 1 6 '6. K 7 Phi -60.02 +/- 10.05 (-70.08 to -49.97)' 27 1 27 49 c30744_6wpb 1 7 '7. A 8 Phi -62.69 +/- 4.59 (-67.28 to -58.09)' 32 1 32 48 c30744_6wpb 1 8 '8. I 9 Phi -64.74 +/- 10.25 (-74.98 to -54.49)' 37 1 37 49 c30744_6wpb 1 9 '9. A 10 Phi -61.79 +/- 9.25 (-71.04 to -52.54)' 42 1 42 49 c30744_6wpb 1 10 '10. K 11 Phi -63.16 +/- 5.15 (-68.31 to -58.01)' 47 1 47 50 c30744_6wpb 1 11 '11. A 12 Phi -64.93 +/- 11.42 (-76.34 to -53.51)' 52 1 52 51 c30744_6wpb 1 12 '12. A 13 Phi -67.19 +/- 11.57 (-78.76 to -55.62)' 57 1 57 51 c30744_6wpb 1 13 '13. I 2 Psi -41.23 +/- 16.87 (-58.09 to -24.36)' 63 1 63 50 c30744_6wpb 1 14 '14. L 3 Psi -39.77 +/- 13.51 (-53.28 to -26.26)' 68 1 68 50 c30744_6wpb 1 15 '15. D 4 Psi -41.16 +/- 12.22 (-53.38 to -28.93)' 73 1 73 50 c30744_6wpb 1 16 '16. A 5 Psi -40.97 +/- 13.03 (-54.00 to -27.94)' 78 1 78 50 c30744_6wpb 1 17 '17. I 6 Psi -43.58 +/- 10.40 (-53.98 to -33.18)' 83 1 83 50 c30744_6wpb 1 18 '18. K 7 Psi -41.40 +/- 11.60 (-53.00 to -29.80)' 88 1 88 50 c30744_6wpb 1 19 '19. A 8 Psi -38.80 +/- 6.72 (-45.52 to -32.09)' 93 1 93 49 c30744_6wpb 1 20 '20. I 9 Psi -44.27 +/- 9.64 (-53.91 to -34.63)' 98 1 98 49 c30744_6wpb 1 21 '21. A 10 Psi -40.68 +/- 10.41 (-51.09 to -30.27)' 103 1 103 51 c30744_6wpb 1 22 '22. K 11 Psi -35.50 +/- 10.72 (-46.22 to -24.78)' 108 1 108 51 c30744_6wpb 1 23 '23. A 12 Psi -25.50 +/- 39.21 (-64.71 to 13.71)' 113 1 113 50 c30744_6wpb 1 24 '24. A 13 Psi -37.76 +/- 12.57 (-50.33 to -25.19)' 118 1 118 51 c30744_6wpb 1 stop_ loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 '# Restraints file 1: diedro_sds_novo.tbl' 1 1 1 40 c30744_6wpb 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c30744_6wpb _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; *HEADER ANTIMICROBIAL PROTEIN 27-APR-20 6WPB *TITLE NMR STRUCTURE OF HSP1-NH2 ANTIMICROBIAL PEPTIDE IN PRESENCE OF SDS-D25 *TITLE 2 MICELLES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: HSP1-NH2; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: BOANA PUNCTATA; *SOURCE 4 ORGANISM_TAXID: 2499473 *KEYWDS ANTIMICROBIAL PEPTIDE, ANTIMICROBIAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR R.M.VERLY,I.P.GOMES *REVDAT 1 02-SEP-20 6WPB 0 ; save_