data_c34209_6f3y ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c34209_6f3y _Entry.Title ; Backbone structure of Des-Arg10-Kallidin (DAKD) peptide bound to human Bradykinin 1 Receptor (B1R) determined by DNP-enhanced MAS SSNMR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-11-29 _Entry.Accession_date 2017-11-29 _Entry.Last_release_date 2018-01-03 _Entry.Original_release_date 2018-01-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.10 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLID-STATE _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 J. Mao J. . . . c34209_6f3y 2 G. Kuenze G. . . . c34209_6f3y 3 L. Joedicke L. . . . c34209_6f3y 4 J. Meiler J. . . . c34209_6f3y 5 H. Michel H. . . . c34209_6f3y 6 C. Glaubitz C. . . . c34209_6f3y stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNP . c34209_6f3y GPCR . c34209_6f3y 'MEMBRANE PROTEIN' . c34209_6f3y stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c34209_6f3y stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 25 c34209_6f3y '15N chemical shifts' 8 c34209_6f3y 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 . . 2018-01-05 . original BMRB . c34209_6f3y stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6F3Y 'BMRB Entry Tracking System' c34209_6f3y stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c34209_6f3y _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'to be published' _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 . _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 L. Joedicke L. . . . c34209_6f3y 1 2 J. Jiafei J. . . . c34209_6f3y 1 3 G. Kuenze G. . . . c34209_6f3y 1 4 C. Reinhart C. . . . c34209_6f3y 1 5 T. Kalavacherla T. . . . c34209_6f3y 1 6 R. Jonker R. A.H. . . c34209_6f3y 1 7 C. Richter C. . . . c34209_6f3y 1 8 H. Schwalbe H. . . . c34209_6f3y 1 9 J. Meiler J. . . . c34209_6f3y 1 10 J. Preu J. . . . c34209_6f3y 1 11 H. Michel H. . . . c34209_6f3y 1 12 C. Glaubitz C. . . . c34209_6f3y 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c34209_6f3y _Assembly.ID 1 _Assembly.Name Kininogen-1 _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 entity_1 1 $entity_1 A A yes . . . . . . c34209_6f3y 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c34209_6f3y _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 ; KRPPGFSPF ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 9 _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 1034.210 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; DAKD peptide bound to human B1R Synonyms: Lys-des-Arg9 Bradykinin ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Alpha-2-thiol proteinase inhibitor' na c34209_6f3y 1 'Fitzgerald factor' na c34209_6f3y 1 HMWK na c34209_6f3y 1 'High molecular weight kininogen' na c34209_6f3y 1 'Williams-Fitzgerald-Flaujeac factor' na c34209_6f3y 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . LYS . c34209_6f3y 1 2 . ARG . c34209_6f3y 1 3 . PRO . c34209_6f3y 1 4 . PRO . c34209_6f3y 1 5 . GLY . c34209_6f3y 1 6 . PHE . c34209_6f3y 1 7 . SER . c34209_6f3y 1 8 . PRO . c34209_6f3y 1 9 . PHE . c34209_6f3y 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 . LYS 1 1 c34209_6f3y 1 . ARG 2 2 c34209_6f3y 1 . PRO 3 3 c34209_6f3y 1 . PRO 4 4 c34209_6f3y 1 . GLY 5 5 c34209_6f3y 1 . PHE 6 6 c34209_6f3y 1 . SER 7 7 c34209_6f3y 1 . PRO 8 8 c34209_6f3y 1 . PHE 9 9 c34209_6f3y 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID c34209_6f3y _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . c34209_6f3y 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID c34209_6f3y _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' . . . . . . . . . . . . . . . 'This sequence occurs naturally in humans' c34209_6f3y 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c34209_6f3y _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details ; 312.5 uM [U-13C; U-15N] K1 Des-Arg10-Kallidin (DAKD), 312.5 uM not labeled human B1R, 10 mM not labeled AMUPOL, 50 mM not labeled HEPES, 150 mM not labeled NaCl, 4 % w/v not labeled DDM, 0.4 % w/v not labeled CHS, 10% H2O/ 40%D2O/ 50% d8-glycerol ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '10% H2O/ 40%D2O/ 50% d8-glycerol' _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 'Des-Arg10-Kallidin (DAKD)' '[U-13C; U-15N] K1' . . 1 $entity_1 . . 312.5 . . uM 27.5 . . . c34209_6f3y 1 2 'human B1R' 'natural abundance' . . . . . . 312.5 . . uM 27.5 . . . c34209_6f3y 1 3 AMUPOL 'natural abundance' . . . . . . 10 . . mM 0.3 . . . c34209_6f3y 1 4 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . c34209_6f3y 1 5 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . c34209_6f3y 1 6 DDM 'natural abundance' . . . . . . 4 . . '% w/v' . . . . c34209_6f3y 1 7 CHS 'natural abundance' . . . . . . 0.4 . . '% w/v' . . . . c34209_6f3y 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID c34209_6f3y _Sample.ID 2 _Sample.Type solid _Sample.Sub_type . _Sample.Details ; 312.5 uM [U-13C; U-15N] R2S7 Des-Arg10-Kallidin (DAKD), 312.5 uM not labeled human B1R, 10 mM not labeled AMUPOL, 50 mM not labeled HEPES, 150 mM not labeled NaCl, 4 % w/v not labeled DDM, 0.4 % w/v not labeled CHS, 10% H2O/ 40%D2O/ 50% d8-glycerol ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '10% H2O/ 40%D2O/ 50% d8-glycerol' _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 'Des-Arg10-Kallidin (DAKD)' '[U-13C; U-15N] R2S7' . . 1 $entity_1 . . 312.5 . . uM 27.5 . . . c34209_6f3y 2 2 'human B1R' 'natural abundance' . . . . . . 312.5 . . uM 27.5 . . . c34209_6f3y 2 3 AMUPOL 'natural abundance' . . . . . . 10 . . mM 0.3 . . . c34209_6f3y 2 4 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . c34209_6f3y 2 5 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . c34209_6f3y 2 6 DDM 'natural abundance' . . . . . . 4 . . '% w/v' . . . . c34209_6f3y 2 7 CHS 'natural abundance' . . . . . . 0.4 . . '% w/v' . . . . c34209_6f3y 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID c34209_6f3y _Sample.ID 3 _Sample.Type solid _Sample.Sub_type . _Sample.Details ; 312.5 uM [U-13C; U-15N] P3 Des-Arg10-Kallidin (DAKD), 312.5 uM not labeled human B1R, 10 mM not labeled AMUPOL, 50 mM not labeled HEPES, 150 mM not labeled NaCl, 4 % w/v not labeled DDM, 0.4 % w/v not labeled CHS, 10% H2O/ 40%D2O/ 50% d8-glycerol ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '10% H2O/ 40%D2O/ 50% d8-glycerol' _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 'Des-Arg10-Kallidin (DAKD)' '[U-13C; U-15N] P3' . . 1 $entity_1 . . 312.5 . . uM 27.5 . . . c34209_6f3y 3 2 'human B1R' 'natural abundance' . . . . . . 312.5 . . uM 27.5 . . . c34209_6f3y 3 3 AMUPOL 'natural abundance' . . . . . . 10 . . mM 0.3 . . . c34209_6f3y 3 4 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . c34209_6f3y 3 5 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . c34209_6f3y 3 6 DDM 'natural abundance' . . . . . . 4 . . '% w/v' . . . . c34209_6f3y 3 7 CHS 'natural abundance' . . . . . . 0.4 . . '% w/v' . . . . c34209_6f3y 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID c34209_6f3y _Sample.ID 4 _Sample.Type solid _Sample.Sub_type . _Sample.Details ; 312.5 uM [U-13C; U-15N] P4 Des-Arg10-Kallidin (DAKD), 312.5 uM not labeled human B1R, 10 mM not labeled AMUPOL, 50 mM not labeled HEPES, 150 mM not labeled NaCl, 4 % w/v not labeled DDM, 0.4 % w/v not labeled CHS, 10% H2O/ 40%D2O/ 50% d8-glycerol ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '10% H2O/ 40%D2O/ 50% d8-glycerol' _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 'Des-Arg10-Kallidin (DAKD)' '[U-13C; U-15N] P4' . . 1 $entity_1 . . 312.5 . . uM 27.5 . . . c34209_6f3y 4 2 'human B1R' 'natural abundance' . . . . . . 312.5 . . uM 27.5 . . . c34209_6f3y 4 3 AMUPOL 'natural abundance' . . . . . . 10 . . mM 0.3 . . . c34209_6f3y 4 4 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . c34209_6f3y 4 5 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . c34209_6f3y 4 6 DDM 'natural abundance' . . . . . . 4 . . '% w/v' . . . . c34209_6f3y 4 7 CHS 'natural abundance' . . . . . . 0.4 . . '% w/v' . . . . c34209_6f3y 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID c34209_6f3y _Sample.ID 5 _Sample.Type solid _Sample.Sub_type . _Sample.Details ; 312.5 uM [U-13C; U-15N] G5F6 Des-Arg10-Kallidin (DAKD), 312.5 uM not labeled human B1R, 10 mM not labeled AMUPOL, 50 mM not labeled HEPES, 150 mM not labeled NaCl, 4 % w/v not labeled DDM, 0.4 % w/v not labeled CHS, 10% H2O/ 40%D2O/ 50% d8-glycerol ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '10% H2O/ 40%D2O/ 50% d8-glycerol' _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 'Des-Arg10-Kallidin (DAKD)' '[U-13C; U-15N] G5F6' . . 1 $entity_1 . . 312.5 . . uM 27.5 . . . c34209_6f3y 5 2 'human B1R' 'natural abundance' . . . . . . 312.5 . . uM 27.5 . . . c34209_6f3y 5 3 AMUPOL 'natural abundance' . . . . . . 10 . . mM 0.3 . . . c34209_6f3y 5 4 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . c34209_6f3y 5 5 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . c34209_6f3y 5 6 DDM 'natural abundance' . . . . . . 4 . . '% w/v' . . . . c34209_6f3y 5 7 CHS 'natural abundance' . . . . . . 0.4 . . '% w/v' . . . . c34209_6f3y 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID c34209_6f3y _Sample.ID 6 _Sample.Type solid _Sample.Sub_type . _Sample.Details ; 312.5 uM [U-13C; U-15N] S7P9 Des-Arg10-Kallidin (DAKD), 312.5 uM not labeled human B1R, 10 mM not labeled AMUPOL, 50 mM not labeled HEPES, 150 mM not labeled NaCl, 4 % w/v not labeled DDM, 0.4 % w/v not labeled CHS, 10% H2O/ 40%D2O/ 50% d8-glycerol ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '10% H2O/ 40%D2O/ 50% d8-glycerol' _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 'Des-Arg10-Kallidin (DAKD)' '[U-13C; U-15N] S7P9' . . 1 $entity_1 . . 312.5 . . uM 27.5 . . . c34209_6f3y 6 2 'human B1R' 'natural abundance' . . . . . . 312.5 . . uM 27.5 . . . c34209_6f3y 6 3 AMUPOL 'natural abundance' . . . . . . 10 . . mM 0.3 . . . c34209_6f3y 6 4 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . c34209_6f3y 6 5 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . c34209_6f3y 6 6 DDM 'natural abundance' . . . . . . 4 . . '% w/v' . . . . c34209_6f3y 6 7 CHS 'natural abundance' . . . . . . 0.4 . . '% w/v' . . . . c34209_6f3y 6 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID c34209_6f3y _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 175 . mM c34209_6f3y 1 pH 7.6 . pH c34209_6f3y 1 pressure 1 . atm c34209_6f3y 1 temperature 110 . K c34209_6f3y 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c34209_6f3y _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . c34209_6f3y 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' c34209_6f3y 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c34209_6f3y _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . c34209_6f3y 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c34209_6f3y 2 collection c34209_6f3y 2 'data analysis' c34209_6f3y 2 processing c34209_6f3y 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID c34209_6f3y _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . c34209_6f3y 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c34209_6f3y 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID c34209_6f3y _Software.ID 4 _Software.Name TALOS-N _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Bax' . . c34209_6f3y 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c34209_6f3y 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID c34209_6f3y _Software.ID 5 _Software.Name PREDITOR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Berjanskii, Neal, Wishart' . . c34209_6f3y 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c34209_6f3y 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID c34209_6f3y _Software.ID 6 _Software.Name flexible-meccano _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Ozone, Bauer, Salmon, Huang, Jensen, Segard, Bernado, Charavay, Blackledge' . . c34209_6f3y 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c34209_6f3y 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID c34209_6f3y _Software.ID 7 _Software.Name SHIFTX _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Neal, Nip, Zhang, Wishart' . . c34209_6f3y 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c34209_6f3y 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID c34209_6f3y _Software.ID 8 _Software.Name CIRCOS _Software.Version 0.69.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Krzywinski, Schein, Birol, Connors, Gascoyne, Horsman, Jones, A Marra' . . c34209_6f3y 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c34209_6f3y 8 stop_ save_ save_software_9 _Software.Sf_category software _Software.Sf_framecode software_9 _Software.Entry_ID c34209_6f3y _Software.ID 9 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Delaglio, Cornilescu, Bax' . . c34209_6f3y 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' c34209_6f3y 9 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID c34209_6f3y _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'SSNMR spectrometer' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400.197 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 c34209_6f3y _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceII . 400.197 . . . c34209_6f3y 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID c34209_6f3y _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 13C-13C DQ-SQ' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34209_6f3y 1 2 '2D 15N-13C TEDOR' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34209_6f3y 1 3 '2D 13C-13C DQ-SQ' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34209_6f3y 1 4 '2D 15N-13C TEDOR' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34209_6f3y 1 5 '2D 13C-13C DQ-SQ' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34209_6f3y 1 6 '2D 13C-13C DQ-SQ' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34209_6f3y 1 7 '2D 15N-13C TEDOR' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34209_6f3y 1 8 '2D 13C-13C DQ-SQ' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34209_6f3y 1 9 '2D 15N-13C TEDOR' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34209_6f3y 1 10 '2D 15N-13C TEDOR' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34209_6f3y 1 11 '2D 13C-13C DQ-SQ' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34209_6f3y 1 12 '1D REDOR/DQF double-filter 13C' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34209_6f3y 1 13 '2D 13C-13C DQ-SQ' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34209_6f3y 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ 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 c34209_6f3y _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl carbons' . . . . ppm 0 na direct 1 . . . . . c34209_6f3y 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 na indirect 0.402979940 . . . . . c34209_6f3y 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_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 c34209_6f3y _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.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 13C-13C DQ-SQ' . . . c34209_6f3y 1 2 '2D 15N-13C TEDOR' . . . c34209_6f3y 1 3 '2D 13C-13C DQ-SQ' . . . c34209_6f3y 1 4 '2D 15N-13C TEDOR' . . . c34209_6f3y 1 5 '2D 13C-13C DQ-SQ' . . . c34209_6f3y 1 6 '2D 13C-13C DQ-SQ' . . . c34209_6f3y 1 7 '2D 15N-13C TEDOR' . . . c34209_6f3y 1 8 '2D 13C-13C DQ-SQ' . . . c34209_6f3y 1 9 '2D 15N-13C TEDOR' . . . c34209_6f3y 1 10 '2D 15N-13C TEDOR' . . . c34209_6f3y 1 11 '2D 13C-13C DQ-SQ' . . . c34209_6f3y 1 12 '1D REDOR/DQF double-filter 13C' . . . c34209_6f3y 1 13 '2D 13C-13C DQ-SQ' . . . c34209_6f3y 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.NEF_atom_name _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 LYS C C 13 173.800 . . 1 . . . . . A 1 LYS C . c34209_6f3y 1 2 . 1 1 1 1 LYS CA C 13 55.900 . . 1 . . . . . A 1 LYS CA . c34209_6f3y 1 3 . 1 1 1 1 LYS CB C 13 33.400 . . 1 . . . . . A 1 LYS CB . c34209_6f3y 1 4 . 1 1 2 2 ARG C C 13 174.800 . . 1 . . . . . A 2 ARG C . c34209_6f3y 1 5 . 1 1 2 2 ARG CA C 13 55.000 . . 1 . . . . . A 2 ARG CA . c34209_6f3y 1 6 . 1 1 2 2 ARG CB C 13 30.800 . . 1 . . . . . A 2 ARG CB . c34209_6f3y 1 7 . 1 1 2 2 ARG N N 15 121.500 . . 1 . . . . . A 2 ARG N . c34209_6f3y 1 8 . 1 1 3 3 PRO C C 13 175.700 . . 1 . . . . . A 3 PRO C . c34209_6f3y 1 9 . 1 1 3 3 PRO CA C 13 61.700 . . 1 . . . . . A 3 PRO CA . c34209_6f3y 1 10 . 1 1 3 3 PRO CB C 13 31.200 . . 1 . . . . . A 3 PRO CB . c34209_6f3y 1 11 . 1 1 3 3 PRO N N 15 133.900 . . 1 . . . . . A 3 PRO N . c34209_6f3y 1 12 . 1 1 4 4 PRO C C 13 177.400 . . 1 . . . . . A 4 PRO C . c34209_6f3y 1 13 . 1 1 4 4 PRO CA C 13 63.500 . . 1 . . . . . A 4 PRO CA . c34209_6f3y 1 14 . 1 1 4 4 PRO CB C 13 32.500 . . 1 . . . . . A 4 PRO CB . c34209_6f3y 1 15 . 1 1 4 4 PRO N N 15 131.700 . . 1 . . . . . A 4 PRO N . c34209_6f3y 1 16 . 1 1 5 5 GLY C C 13 174.700 . . 1 . . . . . A 5 GLY C . c34209_6f3y 1 17 . 1 1 5 5 GLY CA C 13 45.200 . . 1 . . . . . A 5 GLY CA . c34209_6f3y 1 18 . 1 1 5 5 GLY N N 15 111.900 . . 1 . . . . . A 5 GLY N . c34209_6f3y 1 19 . 1 1 6 6 PHE C C 13 178.500 . . 1 . . . . . A 6 PHE C . c34209_6f3y 1 20 . 1 1 6 6 PHE CA C 13 59.000 . . 1 . . . . . A 6 PHE CA . c34209_6f3y 1 21 . 1 1 6 6 PHE CB C 13 40.100 . . 1 . . . . . A 6 PHE CB . c34209_6f3y 1 22 . 1 1 6 6 PHE N N 15 118.700 . . 1 . . . . . A 6 PHE N . c34209_6f3y 1 23 . 1 1 7 7 SER C C 13 174.400 . . 1 . . . . . A 7 SER C . c34209_6f3y 1 24 . 1 1 7 7 SER CA C 13 55.400 . . 1 . . . . . A 7 SER CA . c34209_6f3y 1 25 . 1 1 7 7 SER CB C 13 62.600 . . 1 . . . . . A 7 SER CB . c34209_6f3y 1 26 . 1 1 7 7 SER N N 15 121.800 . . 1 . . . . . A 7 SER N . c34209_6f3y 1 27 . 1 1 8 8 PRO C C 13 175.900 . . 1 . . . . . A 8 PRO C . c34209_6f3y 1 28 . 1 1 8 8 PRO CA C 13 62.700 . . 1 . . . . . A 8 PRO CA . c34209_6f3y 1 29 . 1 1 8 8 PRO CB C 13 32.700 . . 1 . . . . . A 8 PRO CB . c34209_6f3y 1 30 . 1 1 8 8 PRO N N 15 135.100 . . 1 . . . . . A 8 PRO N . c34209_6f3y 1 31 . 1 1 9 9 PHE CA C 13 57.300 . . 1 . . . . . A 9 PHE CA . c34209_6f3y 1 32 . 1 1 9 9 PHE CB C 13 39.400 . . 1 . . . . . A 9 PHE CB . c34209_6f3y 1 33 . 1 1 9 9 PHE N N 15 124.400 . . 1 . . . . . A 9 PHE N . c34209_6f3y 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID c34209_6f3y _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_ ##################################### # Conformer family coordinate set # ##################################### 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 c34209_6f3y _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 . . . c34209_6f3y 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 . . . . c34209_6f3y 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 LYS C C 3.559 0.334 -0.977 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c34209_6f3y 1 . 1 . 2 . 1 1 1 LYS CA C 2.094 -0.002 -1.241 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c34209_6f3y 1 . 1 . 3 . 1 1 1 LYS CB C 1.500 1.002 -2.232 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c34209_6f3y 1 . 1 . 4 . 1 1 1 LYS CD C -0.619 0.122 -3.253 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c34209_6f3y 1 . 1 . 5 . 1 1 1 LYS CE C -1.438 1.303 -3.752 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c34209_6f3y 1 . 1 . 6 . 1 1 1 LYS CG C 0.869 0.352 -3.451 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c34209_6f3y 1 . 1 . 7 . 1 1 1 LYS H1 H 1.806 0.000 0.856 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c34209_6f3y 1 . 1 . 8 . 1 1 1 LYS HA H 2.035 -0.992 -1.666 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c34209_6f3y 1 . 1 . 9 . 1 1 1 LYS HB2 H 0.743 1.583 -1.727 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c34209_6f3y 1 . 1 . 10 . 1 1 1 LYS HB3 H 2.285 1.664 -2.569 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c34209_6f3y 1 . 1 . 11 . 1 1 1 LYS HD2 H -0.914 -0.762 -3.798 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c34209_6f3y 1 . 1 . 12 . 1 1 1 LYS HD3 H -0.815 -0.021 -2.199 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c34209_6f3y 1 . 1 . 13 . 1 1 1 LYS HE2 H -1.100 2.196 -3.249 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c34209_6f3y 1 . 1 . 14 . 1 1 1 LYS HE3 H -1.282 1.407 -4.816 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c34209_6f3y 1 . 1 . 15 . 1 1 1 LYS HG2 H 1.012 0.997 -4.306 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c34209_6f3y 1 . 1 . 16 . 1 1 1 LYS HG3 H 1.351 -0.599 -3.631 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c34209_6f3y 1 . 1 . 17 . 1 1 1 LYS HZ1 H -3.364 2.045 -3.432 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c34209_6f3y 1 . 1 . 18 . 1 1 1 LYS HZ2 H -3.033 0.613 -2.594 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c34209_6f3y 1 . 1 . 19 . 1 1 1 LYS HZ3 H -3.327 0.569 -4.259 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c34209_6f3y 1 . 1 . 20 . 1 1 1 LYS N N 1.329 0.000 0.000 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c34209_6f3y 1 . 1 . 21 . 1 1 1 LYS NZ N -2.892 1.119 -3.491 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c34209_6f3y 1 . 1 . 22 . 1 1 1 LYS O O 4.459 -0.309 -1.516 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c34209_6f3y 1 . 1 . 23 . 1 1 2 ARG C C 5.480 1.414 1.637 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c34209_6f3y 1 . 1 . 24 . 1 1 2 ARG CA C 5.144 1.765 0.191 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c34209_6f3y 1 . 1 . 25 . 1 1 2 ARG CB C 5.303 3.270 -0.030 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c34209_6f3y 1 . 1 . 26 . 1 1 2 ARG CD C 4.885 4.254 -2.305 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c34209_6f3y 1 . 1 . 27 . 1 1 2 ARG CG C 5.913 3.627 -1.376 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c34209_6f3y 1 . 1 . 28 . 1 1 2 ARG CZ C 6.066 6.253 -3.112 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c34209_6f3y 1 . 1 . 29 . 1 1 2 ARG H H 3.029 1.819 0.254 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c34209_6f3y 1 . 1 . 30 . 1 1 2 ARG HA H 5.825 1.240 -0.462 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c34209_6f3y 1 . 1 . 31 . 1 1 2 ARG HB2 H 4.331 3.736 0.034 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c34209_6f3y 1 . 1 . 32 . 1 1 2 ARG HB3 H 5.938 3.670 0.746 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c34209_6f3y 1 . 1 . 33 . 1 1 2 ARG HD2 H 4.315 3.466 -2.774 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c34209_6f3y 1 . 1 . 34 . 1 1 2 ARG HD3 H 4.224 4.876 -1.720 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c34209_6f3y 1 . 1 . 35 . 1 1 2 ARG HE H 5.515 4.716 -4.256 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c34209_6f3y 1 . 1 . 36 . 1 1 2 ARG HG2 H 6.718 4.330 -1.221 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c34209_6f3y 1 . 1 . 37 . 1 1 2 ARG HG3 H 6.300 2.729 -1.835 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c34209_6f3y 1 . 1 . 38 . 1 1 2 ARG HH11 H 5.663 6.245 -1.132 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c34209_6f3y 1 . 1 . 39 . 1 1 2 ARG HH12 H 6.496 7.648 -1.714 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c34209_6f3y 1 . 1 . 40 . 1 1 2 ARG HH21 H 6.611 6.559 -5.034 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c34209_6f3y 1 . 1 . 41 . 1 1 2 ARG HH22 H 7.034 7.826 -3.934 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c34209_6f3y 1 . 1 . 42 . 1 1 2 ARG N N 3.789 1.344 -0.145 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c34209_6f3y 1 . 1 . 43 . 1 1 2 ARG NE N 5.510 5.069 -3.343 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c34209_6f3y 1 . 1 . 44 . 1 1 2 ARG NH1 N 6.075 6.757 -1.885 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c34209_6f3y 1 . 1 . 45 . 1 1 2 ARG NH2 N 6.616 6.935 -4.108 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c34209_6f3y 1 . 1 . 46 . 1 1 2 ARG O O 4.600 1.183 2.466 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c34209_6f3y 1 . 1 . 47 . 1 1 3 PRO C C 6.962 2.155 4.300 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34209_6f3y 1 . 1 . 48 . 1 1 3 PRO CA C 7.267 1.050 3.295 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34209_6f3y 1 . 1 . 49 . 1 1 3 PRO CB C 8.778 0.902 3.104 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34209_6f3y 1 . 1 . 50 . 1 1 3 PRO CD C 7.888 1.636 1.010 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34209_6f3y 1 . 1 . 51 . 1 1 3 PRO CG C 9.092 1.732 1.906 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34209_6f3y 1 . 1 . 52 . 1 1 3 PRO HA H 6.854 0.117 3.651 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34209_6f3y 1 . 1 . 53 . 1 1 3 PRO HB2 H 9.292 1.266 3.983 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 1 . 54 . 1 1 3 PRO HB3 H 9.025 -0.136 2.940 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 1 . 55 . 1 1 3 PRO HD2 H 7.733 2.567 0.485 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 1 . 56 . 1 1 3 PRO HD3 H 8.002 0.821 0.311 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 1 . 57 . 1 1 3 PRO HG2 H 9.258 2.756 2.203 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 1 . 58 . 1 1 3 PRO HG3 H 9.963 1.338 1.406 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 1 . 59 . 1 1 3 PRO N N 6.784 1.372 1.948 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34209_6f3y 1 . 1 . 60 . 1 1 3 PRO O O 6.582 3.269 3.937 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34209_6f3y 1 . 1 . 61 . 1 1 4 PRO C C 7.913 3.921 6.710 . . . 1.0 . . . . . . . . . . . . A . 4 PRO C . . . . . . . . . c34209_6f3y 1 . 1 . 62 . 1 1 4 PRO CA C 6.881 2.799 6.677 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CA . . . . . . . . . c34209_6f3y 1 . 1 . 63 . 1 1 4 PRO CB C 6.986 1.938 7.939 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CB . . . . . . . . . c34209_6f3y 1 . 1 . 64 . 1 1 4 PRO CD C 7.583 0.536 6.097 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CD . . . . . . . . . c34209_6f3y 1 . 1 . 65 . 1 1 4 PRO CG C 7.867 0.801 7.550 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CG . . . . . . . . . c34209_6f3y 1 . 1 . 66 . 1 1 4 PRO HA H 5.891 3.223 6.610 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HA . . . . . . . . . c34209_6f3y 1 . 1 . 67 . 1 1 4 PRO HB2 H 7.422 2.520 8.739 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 1 . 68 . 1 1 4 PRO HB3 H 6.004 1.596 8.228 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 1 . 69 . 1 1 4 PRO HD2 H 8.481 0.215 5.589 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 1 . 70 . 1 1 4 PRO HD3 H 6.804 -0.206 5.994 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 1 . 71 . 1 1 4 PRO HG2 H 8.902 1.075 7.686 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 1 . 72 . 1 1 4 PRO HG3 H 7.626 -0.068 8.143 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 1 . 73 . 1 1 4 PRO N N 7.132 1.844 5.593 . . . 1.0 . . . . . . . . . . . . A . 4 PRO N . . . . . . . . . c34209_6f3y 1 . 1 . 74 . 1 1 4 PRO O O 9.098 3.696 6.468 . . . 1.0 . . . . . . . . . . . . A . 4 PRO O . . . . . . . . . c34209_6f3y 1 . 1 . 75 . 1 1 5 GLY C C 8.337 7.087 5.795 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . c34209_6f3y 1 . 1 . 76 . 1 1 5 GLY CA C 8.350 6.272 7.073 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . c34209_6f3y 1 . 1 . 77 . 1 1 5 GLY H H 6.498 5.252 7.197 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . c34209_6f3y 1 . 1 . 78 . 1 1 5 GLY HA2 H 8.054 6.906 7.895 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . c34209_6f3y 1 . 1 . 79 . 1 1 5 GLY HA3 H 9.354 5.916 7.249 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . c34209_6f3y 1 . 1 . 80 . 1 1 5 GLY N N 7.453 5.132 7.013 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . c34209_6f3y 1 . 1 . 81 . 1 1 5 GLY O O 8.710 8.260 5.795 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . c34209_6f3y 1 . 1 . 82 . 1 1 6 PHE C C 6.581 7.980 3.292 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34209_6f3y 1 . 1 . 83 . 1 1 6 PHE CA C 7.850 7.140 3.411 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34209_6f3y 1 . 1 . 84 . 1 1 6 PHE CB C 7.906 6.118 2.274 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34209_6f3y 1 . 1 . 85 . 1 1 6 PHE CD1 C 9.129 7.276 0.414 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34209_6f3y 1 . 1 . 86 . 1 1 6 PHE CD2 C 10.196 5.442 1.502 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34209_6f3y 1 . 1 . 87 . 1 1 6 PHE CE1 C 10.227 7.430 -0.411 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34209_6f3y 1 . 1 . 88 . 1 1 6 PHE CE2 C 11.297 5.592 0.680 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34209_6f3y 1 . 1 . 89 . 1 1 6 PHE CG C 9.101 6.282 1.379 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34209_6f3y 1 . 1 . 90 . 1 1 6 PHE CZ C 11.312 6.586 -0.278 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34209_6f3y 1 . 1 . 91 . 1 1 6 PHE H H 7.623 5.529 4.766 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34209_6f3y 1 . 1 . 92 . 1 1 6 PHE HA H 8.706 7.792 3.340 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34209_6f3y 1 . 1 . 93 . 1 1 6 PHE HB2 H 7.942 5.124 2.695 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34209_6f3y 1 . 1 . 94 . 1 1 6 PHE HB3 H 7.019 6.216 1.667 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34209_6f3y 1 . 1 . 95 . 1 1 6 PHE HD1 H 8.280 7.937 0.309 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34209_6f3y 1 . 1 . 96 . 1 1 6 PHE HD2 H 10.186 4.663 2.250 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34209_6f3y 1 . 1 . 97 . 1 1 6 PHE HE1 H 10.235 8.209 -1.159 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34209_6f3y 1 . 1 . 98 . 1 1 6 PHE HE2 H 12.144 4.931 0.786 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34209_6f3y 1 . 1 . 99 . 1 1 6 PHE HZ H 12.171 6.706 -0.921 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34209_6f3y 1 . 1 . 100 . 1 1 6 PHE N N 7.907 6.465 4.702 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34209_6f3y 1 . 1 . 101 . 1 1 6 PHE O O 5.516 7.585 3.766 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34209_6f3y 1 . 1 . 102 . 1 1 7 SER C C 5.435 10.463 1.020 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c34209_6f3y 1 . 1 . 103 . 1 1 7 SER CA C 5.569 10.039 2.479 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c34209_6f3y 1 . 1 . 104 . 1 1 7 SER CB C 5.725 11.274 3.368 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c34209_6f3y 1 . 1 . 105 . 1 1 7 SER H H 7.580 9.400 2.301 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c34209_6f3y 1 . 1 . 106 . 1 1 7 SER HA H 4.676 9.507 2.771 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c34209_6f3y 1 . 1 . 107 . 1 1 7 SER HB2 H 6.760 11.379 3.655 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c34209_6f3y 1 . 1 . 108 . 1 1 7 SER HB3 H 5.413 12.151 2.819 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c34209_6f3y 1 . 1 . 109 . 1 1 7 SER HG H 4.026 11.393 4.336 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c34209_6f3y 1 . 1 . 110 . 1 1 7 SER N N 6.704 9.141 2.657 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c34209_6f3y 1 . 1 . 111 . 1 1 7 SER O O 6.375 10.369 0.230 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c34209_6f3y 1 . 1 . 112 . 1 1 7 SER OG O 4.936 11.162 4.539 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c34209_6f3y 1 . 1 . 113 . 1 1 8 PRO C C 4.683 12.679 -1.068 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c34209_6f3y 1 . 1 . 114 . 1 1 8 PRO CA C 3.950 11.389 -0.715 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c34209_6f3y 1 . 1 . 115 . 1 1 8 PRO CB C 2.437 11.620 -0.702 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c34209_6f3y 1 . 1 . 116 . 1 1 8 PRO CD C 3.071 11.080 1.539 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c34209_6f3y 1 . 1 . 117 . 1 1 8 PRO CG C 2.109 11.900 0.724 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c34209_6f3y 1 . 1 . 118 . 1 1 8 PRO HA H 4.194 10.628 -1.442 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c34209_6f3y 1 . 1 . 119 . 1 1 8 PRO HB2 H 2.193 12.460 -1.337 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 1 . 120 . 1 1 8 PRO HB3 H 1.931 10.734 -1.057 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 1 . 121 . 1 1 8 PRO HD2 H 3.337 11.603 2.446 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 1 . 122 . 1 1 8 PRO HD3 H 2.644 10.115 1.769 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 1 . 123 . 1 1 8 PRO HG2 H 2.241 12.950 0.932 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 1 . 124 . 1 1 8 PRO HG3 H 1.092 11.600 0.932 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 1 . 125 . 1 1 8 PRO N N 4.237 10.940 0.651 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c34209_6f3y 1 . 1 . 126 . 1 1 8 PRO O O 4.816 13.576 -0.235 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c34209_6f3y 1 . 1 . 127 . 1 1 9 PHE C C 6.062 13.912 -4.283 . . . 1.0 . . . . . . . . . . . . A . 9 PHE C . . . . . . . . . c34209_6f3y 1 . 1 . 128 . 1 1 9 PHE CA C 5.876 13.946 -2.769 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CA . . . . . . . . . c34209_6f3y 1 . 1 . 129 . 1 1 9 PHE CB C 7.238 14.043 -2.078 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CB . . . . . . . . . c34209_6f3y 1 . 1 . 130 . 1 1 9 PHE CD1 C 8.671 15.583 -3.446 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD1 . . . . . . . . . c34209_6f3y 1 . 1 . 131 . 1 1 9 PHE CD2 C 7.840 16.369 -1.354 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD2 . . . . . . . . . c34209_6f3y 1 . 1 . 132 . 1 1 9 PHE CE1 C 9.308 16.792 -3.651 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE1 . . . . . . . . . c34209_6f3y 1 . 1 . 133 . 1 1 9 PHE CE2 C 8.474 17.580 -1.554 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE2 . . . . . . . . . c34209_6f3y 1 . 1 . 134 . 1 1 9 PHE CG C 7.930 15.358 -2.297 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CG . . . . . . . . . c34209_6f3y 1 . 1 . 135 . 1 1 9 PHE CZ C 9.211 17.791 -2.703 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CZ . . . . . . . . . c34209_6f3y 1 . 1 . 136 . 1 1 9 PHE H H 5.018 12.017 -2.924 . . . 1.0 . . . . . . . . . . . . A . 9 PHE H . . . . . . . . . c34209_6f3y 1 . 1 . 137 . 1 1 9 PHE HA H 5.289 14.814 -2.510 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HA . . . . . . . . . c34209_6f3y 1 . 1 . 138 . 1 1 9 PHE HB2 H 7.104 13.912 -1.015 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB2 . . . . . . . . . c34209_6f3y 1 . 1 . 139 . 1 1 9 PHE HB3 H 7.880 13.261 -2.455 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB3 . . . . . . . . . c34209_6f3y 1 . 1 . 140 . 1 1 9 PHE HD1 H 8.748 14.801 -4.189 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD1 . . . . . . . . . c34209_6f3y 1 . 1 . 141 . 1 1 9 PHE HD2 H 7.265 16.204 -0.454 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD2 . . . . . . . . . c34209_6f3y 1 . 1 . 142 . 1 1 9 PHE HE1 H 9.883 16.954 -4.551 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE1 . . . . . . . . . c34209_6f3y 1 . 1 . 143 . 1 1 9 PHE HE2 H 8.397 18.359 -0.811 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE2 . . . . . . . . . c34209_6f3y 1 . 1 . 144 . 1 1 9 PHE HZ H 9.707 18.737 -2.862 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HZ . . . . . . . . . c34209_6f3y 1 . 1 . 145 . 1 1 9 PHE N N 5.156 12.766 -2.306 . . . 1.0 . . . . . . . . . . . . A . 9 PHE N . . . . . . . . . c34209_6f3y 1 . 1 . 146 . 1 1 9 PHE O O 6.860 13.131 -4.802 . . . 1.0 . . . . . . . . . . . . A . 9 PHE O . . . . . . . . . c34209_6f3y 1 . 2 . 147 . 1 1 1 LYS C C 2.884 0.355 -0.374 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c34209_6f3y 1 . 2 . 148 . 1 1 1 LYS CA C 1.377 0.197 -0.552 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c34209_6f3y 1 . 2 . 149 . 1 1 1 LYS CB C 0.870 1.190 -1.601 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c34209_6f3y 1 . 2 . 150 . 1 1 1 LYS CD C 1.461 1.237 -4.042 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c34209_6f3y 1 . 2 . 151 . 1 1 1 LYS CE C 1.440 0.443 -5.339 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c34209_6f3y 1 . 2 . 152 . 1 1 1 LYS CG C 0.629 0.564 -2.963 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c34209_6f3y 1 . 2 . 153 . 1 1 1 LYS H1 H -0.297 0.334 0.736 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c34209_6f3y 1 . 2 . 154 . 1 1 1 LYS HA H 1.169 -0.807 -0.888 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c34209_6f3y 1 . 2 . 155 . 1 1 1 LYS HB2 H -0.059 1.618 -1.255 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c34209_6f3y 1 . 2 . 156 . 1 1 1 LYS HB3 H 1.600 1.979 -1.715 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c34209_6f3y 1 . 2 . 157 . 1 1 1 LYS HD2 H 1.062 2.223 -4.230 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c34209_6f3y 1 . 2 . 158 . 1 1 1 LYS HD3 H 2.482 1.320 -3.697 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c34209_6f3y 1 . 2 . 159 . 1 1 1 LYS HE2 H 2.265 0.765 -5.956 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c34209_6f3y 1 . 2 . 160 . 1 1 1 LYS HE3 H 1.553 -0.605 -5.106 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c34209_6f3y 1 . 2 . 161 . 1 1 1 LYS HG2 H 0.893 -0.483 -2.921 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c34209_6f3y 1 . 2 . 162 . 1 1 1 LYS HG3 H -0.418 0.663 -3.215 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c34209_6f3y 1 . 2 . 163 . 1 1 1 LYS HZ1 H -0.545 -0.045 -5.767 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c34209_6f3y 1 . 2 . 164 . 1 1 1 LYS HZ2 H 0.329 0.502 -7.107 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c34209_6f3y 1 . 2 . 165 . 1 1 1 LYS HZ3 H -0.194 1.601 -5.932 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c34209_6f3y 1 . 2 . 166 . 1 1 1 LYS N N 0.681 0.400 0.713 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c34209_6f3y 1 . 2 . 167 . 1 1 1 LYS NZ N 0.169 0.639 -6.089 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c34209_6f3y 1 . 2 . 168 . 1 1 1 LYS O O 3.649 -0.577 -0.626 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c34209_6f3y 1 . 2 . 169 . 1 1 2 ARG C C 5.128 1.498 1.708 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c34209_6f3y 1 . 2 . 170 . 1 1 2 ARG CA C 4.720 1.816 0.272 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c34209_6f3y 1 . 2 . 171 . 1 1 2 ARG CB C 5.026 3.281 -0.044 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c34209_6f3y 1 . 2 . 172 . 1 1 2 ARG CD C 6.861 4.028 -1.591 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c34209_6f3y 1 . 2 . 173 . 1 1 2 ARG CG C 5.431 3.520 -1.490 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c34209_6f3y 1 . 2 . 174 . 1 1 2 ARG CZ C 8.148 5.551 -3.029 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c34209_6f3y 1 . 2 . 175 . 1 1 2 ARG H H 2.646 2.241 0.244 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c34209_6f3y 1 . 2 . 176 . 1 1 2 ARG HA H 5.285 1.186 -0.398 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c34209_6f3y 1 . 2 . 177 . 1 1 2 ARG HB2 H 4.147 3.874 0.163 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c34209_6f3y 1 . 2 . 178 . 1 1 2 ARG HB3 H 5.832 3.613 0.593 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c34209_6f3y 1 . 2 . 179 . 1 1 2 ARG HD2 H 7.059 4.676 -0.750 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c34209_6f3y 1 . 2 . 180 . 1 1 2 ARG HD3 H 7.532 3.183 -1.559 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c34209_6f3y 1 . 2 . 181 . 1 1 2 ARG HE H 6.425 4.686 -3.539 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c34209_6f3y 1 . 2 . 182 . 1 1 2 ARG HG2 H 5.352 2.591 -2.034 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c34209_6f3y 1 . 2 . 183 . 1 1 2 ARG HG3 H 4.766 4.252 -1.923 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c34209_6f3y 1 . 2 . 184 . 1 1 2 ARG HH11 H 8.965 5.201 -1.215 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c34209_6f3y 1 . 2 . 185 . 1 1 2 ARG HH12 H 9.863 6.272 -2.238 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c34209_6f3y 1 . 2 . 186 . 1 1 2 ARG HH21 H 7.597 6.095 -4.896 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c34209_6f3y 1 . 2 . 187 . 1 1 2 ARG HH22 H 9.084 6.781 -4.332 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c34209_6f3y 1 . 2 . 188 . 1 1 2 ARG N N 3.304 1.538 0.061 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c34209_6f3y 1 . 2 . 189 . 1 1 2 ARG NE N 7.091 4.772 -2.826 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c34209_6f3y 1 . 2 . 190 . 1 1 2 ARG NH1 N 9.067 5.686 -2.083 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c34209_6f3y 1 . 2 . 191 . 1 1 2 ARG NH2 N 8.288 6.195 -4.180 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c34209_6f3y 1 . 2 . 192 . 1 1 2 ARG O O 4.296 1.409 2.611 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c34209_6f3y 1 . 2 . 193 . 1 1 3 PRO C C 6.887 2.192 4.209 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34209_6f3y 1 . 2 . 194 . 1 1 3 PRO CA C 6.988 1.012 3.248 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34209_6f3y 1 . 2 . 195 . 1 1 3 PRO CB C 8.455 0.684 2.956 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34209_6f3y 1 . 2 . 196 . 1 1 3 PRO CD C 7.489 1.414 0.895 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34209_6f3y 1 . 2 . 197 . 1 1 3 PRO CG C 8.762 1.414 1.695 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34209_6f3y 1 . 2 . 198 . 1 1 3 PRO HA H 6.505 0.151 3.686 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34209_6f3y 1 . 2 . 199 . 1 1 3 PRO HB2 H 9.073 1.028 3.774 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 2 . 200 . 1 1 3 PRO HB3 H 8.571 -0.382 2.834 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 2 . 201 . 1 1 3 PRO HD2 H 7.397 2.331 0.332 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 2 . 202 . 1 1 3 PRO HD3 H 7.456 0.559 0.236 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 2 . 203 . 1 1 3 PRO HG2 H 9.064 2.425 1.920 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 2 . 204 . 1 1 3 PRO HG3 H 9.543 0.899 1.155 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 2 . 205 . 1 1 3 PRO N N 6.440 1.323 1.925 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34209_6f3y 1 . 2 . 206 . 1 1 3 PRO O O 6.605 3.323 3.814 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34209_6f3y 1 . 2 . 207 . 1 1 4 PRO C C 8.215 3.951 6.441 . . . 1.0 . . . . . . . . . . . . A . 4 PRO C . . . . . . . . . c34209_6f3y 1 . 2 . 208 . 1 1 4 PRO CA C 7.066 2.953 6.546 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CA . . . . . . . . . c34209_6f3y 1 . 2 . 209 . 1 1 4 PRO CB C 7.175 2.148 7.843 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CB . . . . . . . . . c34209_6f3y 1 . 2 . 210 . 1 1 4 PRO CD C 7.466 0.600 6.045 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CD . . . . . . . . . c34209_6f3y 1 . 2 . 211 . 1 1 4 PRO CG C 7.891 0.900 7.456 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CG . . . . . . . . . c34209_6f3y 1 . 2 . 212 . 1 1 4 PRO HA H 6.126 3.485 6.528 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HA . . . . . . . . . c34209_6f3y 1 . 2 . 213 . 1 1 4 PRO HB2 H 7.733 2.714 8.575 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 2 . 214 . 1 1 4 PRO HB3 H 6.187 1.934 8.222 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 2 . 215 . 1 1 4 PRO HD2 H 8.280 0.155 5.492 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 2 . 216 . 1 1 4 PRO HD3 H 6.604 -0.052 6.041 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 2 . 217 . 1 1 4 PRO HG2 H 8.957 1.060 7.500 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 2 . 218 . 1 1 4 PRO HG3 H 7.603 0.093 8.113 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 2 . 219 . 1 1 4 PRO N N 7.124 1.925 5.502 . . . 1.0 . . . . . . . . . . . . A . 4 PRO N . . . . . . . . . c34209_6f3y 1 . 2 . 220 . 1 1 4 PRO O O 9.332 3.590 6.074 . . . 1.0 . . . . . . . . . . . . A . 4 PRO O . . . . . . . . . c34209_6f3y 1 . 2 . 221 . 1 1 5 GLY C C 8.800 7.129 5.484 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . c34209_6f3y 1 . 2 . 222 . 1 1 5 GLY CA C 8.951 6.239 6.701 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . c34209_6f3y 1 . 2 . 223 . 1 1 5 GLY H H 7.022 5.439 7.052 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . c34209_6f3y 1 . 2 . 224 . 1 1 5 GLY HA2 H 8.888 6.849 7.590 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . c34209_6f3y 1 . 2 . 225 . 1 1 5 GLY HA3 H 9.922 5.767 6.670 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . c34209_6f3y 1 . 2 . 226 . 1 1 5 GLY N N 7.931 5.209 6.766 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . c34209_6f3y 1 . 2 . 227 . 1 1 5 GLY O O 9.322 8.244 5.452 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . c34209_6f3y 1 . 2 . 228 . 1 1 6 PHE C C 6.895 8.542 3.484 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34209_6f3y 1 . 2 . 229 . 1 1 6 PHE CA C 7.871 7.392 3.249 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34209_6f3y 1 . 2 . 230 . 1 1 6 PHE CB C 7.341 6.475 2.146 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34209_6f3y 1 . 2 . 231 . 1 1 6 PHE CD1 C 7.921 7.993 0.234 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34209_6f3y 1 . 2 . 232 . 1 1 6 PHE CD2 C 5.714 7.096 0.339 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34209_6f3y 1 . 2 . 233 . 1 1 6 PHE CE1 C 7.597 8.663 -0.931 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34209_6f3y 1 . 2 . 234 . 1 1 6 PHE CE2 C 5.384 7.764 -0.825 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34209_6f3y 1 . 2 . 235 . 1 1 6 PHE CG C 6.985 7.202 0.881 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34209_6f3y 1 . 2 . 236 . 1 1 6 PHE CZ C 6.326 8.550 -1.460 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34209_6f3y 1 . 2 . 237 . 1 1 6 PHE H H 7.696 5.740 4.562 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34209_6f3y 1 . 2 . 238 . 1 1 6 PHE HA H 8.822 7.800 2.941 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34209_6f3y 1 . 2 . 239 . 1 1 6 PHE HB2 H 8.095 5.741 1.904 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34209_6f3y 1 . 2 . 240 . 1 1 6 PHE HB3 H 6.455 5.971 2.501 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34209_6f3y 1 . 2 . 241 . 1 1 6 PHE HD1 H 8.916 8.082 0.647 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34209_6f3y 1 . 2 . 242 . 1 1 6 PHE HD2 H 4.976 6.484 0.836 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34209_6f3y 1 . 2 . 243 . 1 1 6 PHE HE1 H 8.336 9.276 -1.425 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34209_6f3y 1 . 2 . 244 . 1 1 6 PHE HE2 H 4.390 7.674 -1.236 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34209_6f3y 1 . 2 . 245 . 1 1 6 PHE HZ H 6.071 9.072 -2.370 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34209_6f3y 1 . 2 . 246 . 1 1 6 PHE N N 8.087 6.635 4.477 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34209_6f3y 1 . 2 . 247 . 1 1 6 PHE O O 5.855 8.367 4.118 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34209_6f3y 1 . 2 . 248 . 1 1 7 SER C C 5.599 11.167 1.851 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c34209_6f3y 1 . 2 . 249 . 1 1 7 SER CA C 6.397 10.897 3.123 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c34209_6f3y 1 . 2 . 250 . 1 1 7 SER CB C 7.251 12.117 3.472 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c34209_6f3y 1 . 2 . 251 . 1 1 7 SER H H 8.082 9.793 2.472 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c34209_6f3y 1 . 2 . 252 . 1 1 7 SER HA H 5.707 10.707 3.932 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c34209_6f3y 1 . 2 . 253 . 1 1 7 SER HB2 H 8.295 11.853 3.405 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c34209_6f3y 1 . 2 . 254 . 1 1 7 SER HB3 H 7.035 12.915 2.776 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c34209_6f3y 1 . 2 . 255 . 1 1 7 SER HG H 7.059 13.527 4.819 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c34209_6f3y 1 . 2 . 256 . 1 1 7 SER N N 7.239 9.717 2.967 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c34209_6f3y 1 . 2 . 257 . 1 1 7 SER O O 5.935 10.693 0.765 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c34209_6f3y 1 . 2 . 258 . 1 1 7 SER OG O 6.978 12.571 4.787 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c34209_6f3y 1 . 2 . 259 . 1 1 8 PRO C C 4.330 13.247 -0.123 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c34209_6f3y 1 . 2 . 260 . 1 1 8 PRO CA C 3.649 12.300 0.859 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c34209_6f3y 1 . 2 . 261 . 1 1 8 PRO CB C 2.459 12.990 1.530 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c34209_6f3y 1 . 2 . 262 . 1 1 8 PRO CD C 4.058 12.547 3.250 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c34209_6f3y 1 . 2 . 263 . 1 1 8 PRO CG C 3.003 13.523 2.810 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c34209_6f3y 1 . 2 . 264 . 1 1 8 PRO HA H 3.307 11.421 0.331 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c34209_6f3y 1 . 2 . 265 . 1 1 8 PRO HB2 H 2.094 13.784 0.893 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 2 . 266 . 1 1 8 PRO HB3 H 1.672 12.271 1.704 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 2 . 267 . 1 1 8 PRO HD2 H 4.865 13.063 3.749 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 2 . 268 . 1 1 8 PRO HD3 H 3.630 11.796 3.899 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 2 . 269 . 1 1 8 PRO HG2 H 3.438 14.497 2.647 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 2 . 270 . 1 1 8 PRO HG3 H 2.215 13.582 3.547 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 2 . 271 . 1 1 8 PRO N N 4.517 11.948 1.986 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c34209_6f3y 1 . 2 . 272 . 1 1 8 PRO O O 5.174 14.056 0.263 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c34209_6f3y 1 . 2 . 273 . 1 1 9 PHE C C 3.438 14.650 -3.265 . . . 1.0 . . . . . . . . . . . . A . 9 PHE C . . . . . . . . . c34209_6f3y 1 . 2 . 274 . 1 1 9 PHE CA C 4.533 13.989 -2.433 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CA . . . . . . . . . c34209_6f3y 1 . 2 . 275 . 1 1 9 PHE CB C 5.453 13.168 -3.339 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CB . . . . . . . . . c34209_6f3y 1 . 2 . 276 . 1 1 9 PHE CD1 C 7.375 12.784 -1.773 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD1 . . . . . . . . . c34209_6f3y 1 . 2 . 277 . 1 1 9 PHE CD2 C 7.804 13.883 -3.845 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD2 . . . . . . . . . c34209_6f3y 1 . 2 . 278 . 1 1 9 PHE CE1 C 8.712 12.885 -1.438 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE1 . . . . . . . . . c34209_6f3y 1 . 2 . 279 . 1 1 9 PHE CE2 C 9.142 13.987 -3.516 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE2 . . . . . . . . . c34209_6f3y 1 . 2 . 280 . 1 1 9 PHE CG C 6.906 13.280 -2.979 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CG . . . . . . . . . c34209_6f3y 1 . 2 . 281 . 1 1 9 PHE CZ C 9.597 13.489 -2.310 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CZ . . . . . . . . . c34209_6f3y 1 . 2 . 282 . 1 1 9 PHE H H 3.280 12.477 -1.641 . . . 1.0 . . . . . . . . . . . . A . 9 PHE H . . . . . . . . . c34209_6f3y 1 . 2 . 283 . 1 1 9 PHE HA H 5.114 14.758 -1.947 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HA . . . . . . . . . c34209_6f3y 1 . 2 . 284 . 1 1 9 PHE HB2 H 5.175 12.127 -3.274 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB2 . . . . . . . . . c34209_6f3y 1 . 2 . 285 . 1 1 9 PHE HB3 H 5.335 13.504 -4.358 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB3 . . . . . . . . . c34209_6f3y 1 . 2 . 286 . 1 1 9 PHE HD1 H 6.684 12.311 -1.089 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD1 . . . . . . . . . c34209_6f3y 1 . 2 . 287 . 1 1 9 PHE HD2 H 7.450 14.274 -4.788 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD2 . . . . . . . . . c34209_6f3y 1 . 2 . 288 . 1 1 9 PHE HE1 H 9.064 12.495 -0.495 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE1 . . . . . . . . . c34209_6f3y 1 . 2 . 289 . 1 1 9 PHE HE2 H 9.832 14.459 -4.199 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE2 . . . . . . . . . c34209_6f3y 1 . 2 . 290 . 1 1 9 PHE HZ H 10.642 13.568 -2.051 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HZ . . . . . . . . . c34209_6f3y 1 . 2 . 291 . 1 1 9 PHE N N 3.958 13.141 -1.395 . . . 1.0 . . . . . . . . . . . . A . 9 PHE N . . . . . . . . . c34209_6f3y 1 . 2 . 292 . 1 1 9 PHE O O 3.009 14.110 -4.283 . . . 1.0 . . . . . . . . . . . . A . 9 PHE O . . . . . . . . . c34209_6f3y 1 . 3 . 293 . 1 1 1 LYS C C 3.282 1.614 -2.698 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c34209_6f3y 1 . 3 . 294 . 1 1 1 LYS CA C 1.852 1.441 -3.199 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c34209_6f3y 1 . 3 . 295 . 1 1 1 LYS CB C 1.106 0.443 -2.310 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c34209_6f3y 1 . 3 . 296 . 1 1 1 LYS CD C 1.259 -1.749 -1.092 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c34209_6f3y 1 . 3 . 297 . 1 1 1 LYS CE C 2.264 -2.825 -0.710 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c34209_6f3y 1 . 3 . 298 . 1 1 1 LYS CG C 1.737 -0.939 -2.285 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c34209_6f3y 1 . 3 . 299 . 1 1 1 LYS H1 H 1.168 1.363 -5.201 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c34209_6f3y 1 . 3 . 300 . 1 1 1 LYS HA H 1.349 2.395 -3.153 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c34209_6f3y 1 . 3 . 301 . 1 1 1 LYS HB2 H 1.085 0.824 -1.300 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c34209_6f3y 1 . 3 . 302 . 1 1 1 LYS HB3 H 0.092 0.346 -2.671 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c34209_6f3y 1 . 3 . 303 . 1 1 1 LYS HD2 H 1.121 -1.087 -0.250 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c34209_6f3y 1 . 3 . 304 . 1 1 1 LYS HD3 H 0.318 -2.219 -1.341 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c34209_6f3y 1 . 3 . 305 . 1 1 1 LYS HE2 H 1.924 -3.771 -1.103 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c34209_6f3y 1 . 3 . 306 . 1 1 1 LYS HE3 H 3.220 -2.577 -1.146 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c34209_6f3y 1 . 3 . 307 . 1 1 1 LYS HG2 H 1.472 -1.462 -3.192 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c34209_6f3y 1 . 3 . 308 . 1 1 1 LYS HG3 H 2.811 -0.833 -2.230 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c34209_6f3y 1 . 3 . 309 . 1 1 1 LYS HZ1 H 2.393 -1.997 1.203 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c34209_6f3y 1 . 3 . 310 . 1 1 1 LYS HZ2 H 3.327 -3.392 0.996 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c34209_6f3y 1 . 3 . 311 . 1 1 1 LYS HZ3 H 1.648 -3.515 1.163 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c34209_6f3y 1 . 3 . 312 . 1 1 1 LYS N N 1.836 0.992 -4.586 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c34209_6f3y 1 . 3 . 313 . 1 1 1 LYS NZ N 2.419 -2.941 0.766 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c34209_6f3y 1 . 3 . 314 . 1 1 1 LYS O O 4.223 1.074 -3.281 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c34209_6f3y 1 . 3 . 315 . 1 1 2 ARG C C 4.842 2.037 0.374 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c34209_6f3y 1 . 3 . 316 . 1 1 2 ARG CA C 4.754 2.611 -1.037 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c34209_6f3y 1 . 3 . 317 . 1 1 2 ARG CB C 5.054 4.111 -1.009 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c34209_6f3y 1 . 3 . 318 . 1 1 2 ARG CD C 4.749 5.360 -3.168 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c34209_6f3y 1 . 3 . 319 . 1 1 2 ARG CG C 5.729 4.621 -2.271 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c34209_6f3y 1 . 3 . 320 . 1 1 2 ARG CZ C 4.757 7.679 -2.352 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c34209_6f3y 1 . 3 . 321 . 1 1 2 ARG H H 2.650 2.771 -1.195 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c34209_6f3y 1 . 3 . 322 . 1 1 2 ARG HA H 5.486 2.118 -1.659 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c34209_6f3y 1 . 3 . 323 . 1 1 2 ARG HB2 H 4.126 4.649 -0.881 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c34209_6f3y 1 . 3 . 324 . 1 1 2 ARG HB3 H 5.700 4.321 -0.171 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c34209_6f3y 1 . 3 . 325 . 1 1 2 ARG HD2 H 5.275 5.706 -4.046 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c34209_6f3y 1 . 3 . 326 . 1 1 2 ARG HD3 H 3.967 4.677 -3.464 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c34209_6f3y 1 . 3 . 327 . 1 1 2 ARG HE H 3.246 6.397 -2.127 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c34209_6f3y 1 . 3 . 328 . 1 1 2 ARG HG2 H 6.526 5.295 -1.995 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c34209_6f3y 1 . 3 . 329 . 1 1 2 ARG HG3 H 6.138 3.781 -2.814 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c34209_6f3y 1 . 3 . 330 . 1 1 2 ARG HH11 H 6.441 7.110 -3.311 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c34209_6f3y 1 . 3 . 331 . 1 1 2 ARG HH12 H 6.434 8.742 -2.730 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c34209_6f3y 1 . 3 . 332 . 1 1 2 ARG HH21 H 3.224 8.544 -1.358 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c34209_6f3y 1 . 3 . 333 . 1 1 2 ARG HH22 H 4.603 9.557 -1.619 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c34209_6f3y 1 . 3 . 334 . 1 1 2 ARG N N 3.438 2.368 -1.615 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c34209_6f3y 1 . 3 . 335 . 1 1 2 ARG NE N 4.148 6.507 -2.493 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c34209_6f3y 1 . 3 . 336 . 1 1 2 ARG NH1 N 5.978 7.858 -2.837 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c34209_6f3y 1 . 3 . 337 . 1 1 2 ARG NH2 N 4.144 8.675 -1.725 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c34209_6f3y 1 . 3 . 338 . 1 1 2 ARG O O 3.832 1.779 1.030 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c34209_6f3y 1 . 3 . 339 . 1 1 3 PRO C C 5.955 2.270 3.297 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34209_6f3y 1 . 3 . 340 . 1 1 3 PRO CA C 6.327 1.288 2.192 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34209_6f3y 1 . 3 . 341 . 1 1 3 PRO CB C 7.836 1.027 2.194 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34209_6f3y 1 . 3 . 342 . 1 1 3 PRO CD C 7.327 2.118 0.128 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34209_6f3y 1 . 3 . 343 . 1 1 3 PRO CG C 8.385 1.978 1.187 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34209_6f3y 1 . 3 . 344 . 1 1 3 PRO HA H 5.799 0.358 2.346 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34209_6f3y 1 . 3 . 345 . 1 1 3 PRO HB2 H 8.235 1.219 3.179 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 3 . 346 . 1 1 3 PRO HB3 H 8.028 0.002 1.914 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 3 . 347 . 1 1 3 PRO HD2 H 7.321 3.121 -0.270 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 3 . 348 . 1 1 3 PRO HD3 H 7.486 1.398 -0.661 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 3 . 349 . 1 1 3 PRO HG2 H 8.579 2.933 1.651 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 3 . 350 . 1 1 3 PRO HG3 H 9.292 1.576 0.760 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 3 . 351 . 1 1 3 PRO N N 6.078 1.833 0.854 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34209_6f3y 1 . 3 . 352 . 1 1 3 PRO O O 5.715 3.453 3.054 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34209_6f3y 1 . 3 . 353 . 1 1 4 PRO C C 6.657 3.597 6.050 . . . 1.0 . . . . . . . . . . . . A . 4 PRO C . . . . . . . . . c34209_6f3y 1 . 3 . 354 . 1 1 4 PRO CA C 5.564 2.591 5.709 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CA . . . . . . . . . c34209_6f3y 1 . 3 . 355 . 1 1 4 PRO CB C 5.415 1.561 6.832 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CB . . . . . . . . . c34209_6f3y 1 . 3 . 356 . 1 1 4 PRO CD C 6.179 0.372 4.905 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CD . . . . . . . . . c34209_6f3y 1 . 3 . 357 . 1 1 4 PRO CG C 6.259 0.410 6.406 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CG . . . . . . . . . c34209_6f3y 1 . 3 . 358 . 1 1 4 PRO HA H 4.628 3.111 5.568 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HA . . . . . . . . . c34209_6f3y 1 . 3 . 359 . 1 1 4 PRO HB2 H 5.766 1.987 7.762 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 3 . 360 . 1 1 4 PRO HB3 H 4.378 1.276 6.928 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 3 . 361 . 1 1 4 PRO HD2 H 7.118 0.041 4.485 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 3 . 362 . 1 1 4 PRO HD3 H 5.373 -0.273 4.586 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 3 . 363 . 1 1 4 PRO HG2 H 7.279 0.566 6.723 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 3 . 364 . 1 1 4 PRO HG3 H 5.869 -0.505 6.825 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 3 . 365 . 1 1 4 PRO N N 5.905 1.772 4.541 . . . 1.0 . . . . . . . . . . . . A . 4 PRO N . . . . . . . . . c34209_6f3y 1 . 3 . 366 . 1 1 4 PRO O O 7.845 3.294 5.958 . . . 1.0 . . . . . . . . . . . . A . 4 PRO O . . . . . . . . . c34209_6f3y 1 . 3 . 367 . 1 1 5 GLY C C 7.410 6.834 5.678 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . c34209_6f3y 1 . 3 . 368 . 1 1 5 GLY CA C 7.203 5.832 6.797 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . c34209_6f3y 1 . 3 . 369 . 1 1 5 GLY H H 5.285 4.984 6.502 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . c34209_6f3y 1 . 3 . 370 . 1 1 5 GLY HA2 H 6.849 6.354 7.673 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . c34209_6f3y 1 . 3 . 371 . 1 1 5 GLY HA3 H 8.151 5.366 7.026 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . c34209_6f3y 1 . 3 . 372 . 1 1 5 GLY N N 6.246 4.798 6.447 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . c34209_6f3y 1 . 3 . 373 . 1 1 5 GLY O O 7.869 7.951 5.913 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . c34209_6f3y 1 . 3 . 374 . 1 1 6 PHE C C 6.147 8.384 3.282 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34209_6f3y 1 . 3 . 375 . 1 1 6 PHE CA C 7.224 7.303 3.297 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34209_6f3y 1 . 3 . 376 . 1 1 6 PHE CB C 7.158 6.484 2.006 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34209_6f3y 1 . 3 . 377 . 1 1 6 PHE CD1 C 9.596 5.926 1.801 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34209_6f3y 1 . 3 . 378 . 1 1 6 PHE CD2 C 8.519 6.994 -0.039 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34209_6f3y 1 . 3 . 379 . 1 1 6 PHE CE1 C 10.787 5.908 1.099 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34209_6f3y 1 . 3 . 380 . 1 1 6 PHE CE2 C 9.707 6.979 -0.746 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34209_6f3y 1 . 3 . 381 . 1 1 6 PHE CG C 8.450 6.468 1.241 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34209_6f3y 1 . 3 . 382 . 1 1 6 PHE CZ C 10.842 6.437 -0.176 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34209_6f3y 1 . 3 . 383 . 1 1 6 PHE H H 6.710 5.530 4.333 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34209_6f3y 1 . 3 . 384 . 1 1 6 PHE HA H 8.192 7.777 3.364 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34209_6f3y 1 . 3 . 385 . 1 1 6 PHE HB2 H 6.904 5.464 2.249 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34209_6f3y 1 . 3 . 386 . 1 1 6 PHE HB3 H 6.396 6.899 1.364 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34209_6f3y 1 . 3 . 387 . 1 1 6 PHE HD1 H 9.554 5.512 2.799 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34209_6f3y 1 . 3 . 388 . 1 1 6 PHE HD2 H 7.633 7.420 -0.486 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34209_6f3y 1 . 3 . 389 . 1 1 6 PHE HE1 H 11.672 5.483 1.547 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34209_6f3y 1 . 3 . 390 . 1 1 6 PHE HE2 H 9.748 7.393 -1.743 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34209_6f3y 1 . 3 . 391 . 1 1 6 PHE HZ H 11.771 6.424 -0.727 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34209_6f3y 1 . 3 . 392 . 1 1 6 PHE N N 7.071 6.433 4.457 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34209_6f3y 1 . 3 . 393 . 1 1 6 PHE O O 4.963 8.098 3.458 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34209_6f3y 1 . 3 . 394 . 1 1 7 SER C C 5.771 11.525 1.729 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c34209_6f3y 1 . 3 . 395 . 1 1 7 SER CA C 5.642 10.753 3.038 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c34209_6f3y 1 . 3 . 396 . 1 1 7 SER CB C 5.898 11.688 4.222 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c34209_6f3y 1 . 3 . 397 . 1 1 7 SER H H 7.526 9.792 2.939 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c34209_6f3y 1 . 3 . 398 . 1 1 7 SER HA H 4.639 10.359 3.113 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c34209_6f3y 1 . 3 . 399 . 1 1 7 SER HB2 H 6.380 12.587 3.870 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c34209_6f3y 1 . 3 . 400 . 1 1 7 SER HB3 H 4.957 11.942 4.687 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c34209_6f3y 1 . 3 . 401 . 1 1 7 SER HG H 7.648 11.301 5.013 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c34209_6f3y 1 . 3 . 402 . 1 1 7 SER N N 6.568 9.628 3.072 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c34209_6f3y 1 . 3 . 403 . 1 1 7 SER O O 6.773 11.430 1.020 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c34209_6f3y 1 . 3 . 404 . 1 1 7 SER OG O 6.732 11.071 5.187 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c34209_6f3y 1 . 3 . 405 . 1 1 8 PRO C C 5.694 14.273 0.221 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c34209_6f3y 1 . 3 . 406 . 1 1 8 PRO CA C 4.707 13.112 0.174 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c34209_6f3y 1 . 3 . 407 . 1 1 8 PRO CB C 3.269 13.635 0.124 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c34209_6f3y 1 . 3 . 408 . 1 1 8 PRO CD C 3.507 12.469 2.197 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c34209_6f3y 1 . 3 . 409 . 1 1 8 PRO CG C 2.816 13.633 1.543 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c34209_6f3y 1 . 3 . 410 . 1 1 8 PRO HA H 4.903 12.509 -0.701 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c34209_6f3y 1 . 3 . 411 . 1 1 8 PRO HB2 H 3.260 14.632 -0.294 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 3 . 412 . 1 1 8 PRO HB3 H 2.664 12.978 -0.484 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 3 . 413 . 1 1 8 PRO HD2 H 3.743 12.699 3.226 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 3 . 414 . 1 1 8 PRO HD3 H 2.891 11.583 2.139 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 3 . 415 . 1 1 8 PRO HG2 H 3.104 14.557 2.022 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 3 . 416 . 1 1 8 PRO HG3 H 1.744 13.505 1.586 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 3 . 417 . 1 1 8 PRO N N 4.734 12.308 1.399 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c34209_6f3y 1 . 3 . 418 . 1 1 8 PRO O O 5.988 14.808 1.290 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c34209_6f3y 1 . 3 . 419 . 1 1 9 PHE C C 6.803 16.692 -2.189 . . . 1.0 . . . . . . . . . . . . A . 9 PHE C . . . . . . . . . c34209_6f3y 1 . 3 . 420 . 1 1 9 PHE CA C 7.158 15.757 -1.036 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CA . . . . . . . . . c34209_6f3y 1 . 3 . 421 . 1 1 9 PHE CB C 8.576 15.214 -1.223 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CB . . . . . . . . . c34209_6f3y 1 . 3 . 422 . 1 1 9 PHE CD1 C 9.472 15.077 -3.563 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD1 . . . . . . . . . c34209_6f3y 1 . 3 . 423 . 1 1 9 PHE CD2 C 8.258 13.213 -2.703 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD2 . . . . . . . . . c34209_6f3y 1 . 3 . 424 . 1 1 9 PHE CE1 C 9.655 14.410 -4.760 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE1 . . . . . . . . . c34209_6f3y 1 . 3 . 425 . 1 1 9 PHE CE2 C 8.439 12.541 -3.897 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE2 . . . . . . . . . c34209_6f3y 1 . 3 . 426 . 1 1 9 PHE CG C 8.773 14.486 -2.522 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CG . . . . . . . . . c34209_6f3y 1 . 3 . 427 . 1 1 9 PHE CZ C 9.137 13.141 -4.927 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CZ . . . . . . . . . c34209_6f3y 1 . 3 . 428 . 1 1 9 PHE H H 5.929 14.194 -1.763 . . . 1.0 . . . . . . . . . . . . A . 9 PHE H . . . . . . . . . c34209_6f3y 1 . 3 . 429 . 1 1 9 PHE HA H 7.113 16.312 -0.112 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HA . . . . . . . . . c34209_6f3y 1 . 3 . 430 . 1 1 9 PHE HB2 H 9.275 16.035 -1.194 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB2 . . . . . . . . . c34209_6f3y 1 . 3 . 431 . 1 1 9 PHE HB3 H 8.799 14.528 -0.420 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB3 . . . . . . . . . c34209_6f3y 1 . 3 . 432 . 1 1 9 PHE HD1 H 9.877 16.070 -3.432 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD1 . . . . . . . . . c34209_6f3y 1 . 3 . 433 . 1 1 9 PHE HD2 H 7.711 12.743 -1.899 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD2 . . . . . . . . . c34209_6f3y 1 . 3 . 434 . 1 1 9 PHE HE1 H 10.201 14.882 -5.563 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE1 . . . . . . . . . c34209_6f3y 1 . 3 . 435 . 1 1 9 PHE HE2 H 8.032 11.549 -4.026 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE2 . . . . . . . . . c34209_6f3y 1 . 3 . 436 . 1 1 9 PHE HZ H 9.279 12.618 -5.861 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HZ . . . . . . . . . c34209_6f3y 1 . 3 . 437 . 1 1 9 PHE N N 6.203 14.659 -0.945 . . . 1.0 . . . . . . . . . . . . A . 9 PHE N . . . . . . . . . c34209_6f3y 1 . 3 . 438 . 1 1 9 PHE O O 5.667 16.709 -2.660 . . . 1.0 . . . . . . . . . . . . A . 9 PHE O . . . . . . . . . c34209_6f3y 1 . 4 . 439 . 1 1 1 LYS C C 3.585 0.825 -1.482 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c34209_6f3y 1 . 4 . 440 . 1 1 1 LYS CA C 2.144 0.555 -1.904 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c34209_6f3y 1 . 4 . 441 . 1 1 1 LYS CB C 2.123 -0.361 -3.129 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c34209_6f3y 1 . 4 . 442 . 1 1 1 LYS CD C 0.397 -1.938 -4.049 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c34209_6f3y 1 . 4 . 443 . 1 1 1 LYS CE C -0.661 -2.447 -3.084 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c34209_6f3y 1 . 4 . 444 . 1 1 1 LYS CG C 0.752 -0.487 -3.771 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c34209_6f3y 1 . 4 . 445 . 1 1 1 LYS H1 H 1.067 2.320 -1.451 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c34209_6f3y 1 . 4 . 446 . 1 1 1 LYS HA H 1.629 0.066 -1.090 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c34209_6f3y 1 . 4 . 447 . 1 1 1 LYS HB2 H 2.809 0.029 -3.867 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c34209_6f3y 1 . 4 . 448 . 1 1 1 LYS HB3 H 2.450 -1.347 -2.832 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c34209_6f3y 1 . 4 . 449 . 1 1 1 LYS HD2 H 0.019 -2.020 -5.057 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c34209_6f3y 1 . 4 . 450 . 1 1 1 LYS HD3 H 1.287 -2.543 -3.947 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c34209_6f3y 1 . 4 . 451 . 1 1 1 LYS HE2 H -1.487 -1.752 -3.075 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c34209_6f3y 1 . 4 . 452 . 1 1 1 LYS HE3 H -1.007 -3.412 -3.426 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c34209_6f3y 1 . 4 . 453 . 1 1 1 LYS HG2 H 0.013 -0.068 -3.105 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c34209_6f3y 1 . 4 . 454 . 1 1 1 LYS HG3 H 0.750 0.060 -4.704 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c34209_6f3y 1 . 4 . 455 . 1 1 1 LYS HZ1 H 0.647 -3.278 -1.684 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c34209_6f3y 1 . 4 . 456 . 1 1 1 LYS HZ2 H -0.881 -2.911 -1.059 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c34209_6f3y 1 . 4 . 457 . 1 1 1 LYS HZ3 H 0.229 -1.670 -1.361 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c34209_6f3y 1 . 4 . 458 . 1 1 1 LYS N N 1.445 1.802 -2.192 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c34209_6f3y 1 . 4 . 459 . 1 1 1 LYS NZ N -0.129 -2.586 -1.700 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c34209_6f3y 1 . 4 . 460 . 1 1 1 LYS O O 4.505 0.118 -1.895 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c34209_6f3y 1 . 4 . 461 . 1 1 2 ARG C C 5.299 1.772 1.268 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c34209_6f3y 1 . 4 . 462 . 1 1 2 ARG CA C 5.102 2.212 -0.180 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c34209_6f3y 1 . 4 . 463 . 1 1 2 ARG CB C 5.316 3.722 -0.298 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c34209_6f3y 1 . 4 . 464 . 1 1 2 ARG CD C 5.189 5.247 -2.292 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c34209_6f3y 1 . 4 . 465 . 1 1 2 ARG CG C 5.975 4.143 -1.602 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c34209_6f3y 1 . 4 . 466 . 1 1 2 ARG CZ C 4.288 4.125 -4.285 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c34209_6f3y 1 . 4 . 467 . 1 1 2 ARG H H 3.000 2.375 -0.363 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c34209_6f3y 1 . 4 . 468 . 1 1 2 ARG HA H 5.827 1.705 -0.799 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c34209_6f3y 1 . 4 . 469 . 1 1 2 ARG HB2 H 4.359 4.216 -0.229 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c34209_6f3y 1 . 4 . 470 . 1 1 2 ARG HB3 H 5.942 4.050 0.518 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c34209_6f3y 1 . 4 . 471 . 1 1 2 ARG HD2 H 4.774 5.900 -1.538 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c34209_6f3y 1 . 4 . 472 . 1 1 2 ARG HD3 H 5.862 5.809 -2.923 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c34209_6f3y 1 . 4 . 473 . 1 1 2 ARG HE H 3.190 4.806 -2.766 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c34209_6f3y 1 . 4 . 474 . 1 1 2 ARG HG2 H 6.971 4.503 -1.392 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c34209_6f3y 1 . 4 . 475 . 1 1 2 ARG HG3 H 6.030 3.288 -2.259 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c34209_6f3y 1 . 4 . 476 . 1 1 2 ARG HH11 H 6.298 4.332 -4.261 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c34209_6f3y 1 . 4 . 477 . 1 1 2 ARG HH12 H 5.650 3.542 -5.660 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c34209_6f3y 1 . 4 . 478 . 1 1 2 ARG HH21 H 2.325 3.768 -4.604 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c34209_6f3y 1 . 4 . 479 . 1 1 2 ARG HH22 H 3.390 3.223 -5.855 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c34209_6f3y 1 . 4 . 480 . 1 1 2 ARG N N 3.773 1.850 -0.657 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c34209_6f3y 1 . 4 . 481 . 1 1 2 ARG NE N 4.102 4.717 -3.110 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c34209_6f3y 1 . 4 . 482 . 1 1 2 ARG NH1 N 5.513 3.989 -4.776 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c34209_6f3y 1 . 4 . 483 . 1 1 2 ARG NH2 N 3.249 3.668 -4.971 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c34209_6f3y 1 . 4 . 484 . 1 1 2 ARG O O 4.342 1.520 2.001 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c34209_6f3y 1 . 4 . 485 . 1 1 3 PRO C C 6.552 2.322 4.090 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34209_6f3y 1 . 4 . 486 . 1 1 3 PRO CA C 6.920 1.265 3.054 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34209_6f3y 1 . 4 . 487 . 1 1 3 PRO CB C 8.438 1.086 2.989 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34209_6f3y 1 . 4 . 488 . 1 1 3 PRO CD C 7.758 1.959 0.871 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34209_6f3y 1 . 4 . 489 . 1 1 3 PRO CG C 8.878 1.970 1.874 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34209_6f3y 1 . 4 . 490 . 1 1 3 PRO HA H 6.455 0.327 3.318 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34209_6f3y 1 . 4 . 491 . 1 1 3 PRO HB2 H 8.879 1.385 3.930 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 4 . 492 . 1 1 3 PRO HB3 H 8.674 0.051 2.788 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 4 . 493 . 1 1 3 PRO HD2 H 7.673 2.922 0.389 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 4 . 494 . 1 1 3 PRO HD3 H 7.915 1.181 0.138 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 4 . 495 . 1 1 3 PRO HG2 H 9.041 2.972 2.242 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 4 . 496 . 1 1 3 PRO HG3 H 9.782 1.580 1.430 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 4 . 497 . 1 1 3 PRO N N 6.568 1.675 1.691 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34209_6f3y 1 . 4 . 498 . 1 1 3 PRO O O 6.232 3.464 3.760 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34209_6f3y 1 . 4 . 499 . 1 1 4 PRO C C 7.323 3.924 6.673 . . . 1.0 . . . . . . . . . . . . A . 4 PRO C . . . . . . . . . c34209_6f3y 1 . 4 . 500 . 1 1 4 PRO CA C 6.273 2.835 6.484 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CA . . . . . . . . . c34209_6f3y 1 . 4 . 501 . 1 1 4 PRO CB C 6.244 1.903 7.698 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CB . . . . . . . . . c34209_6f3y 1 . 4 . 502 . 1 1 4 PRO CD C 6.970 0.588 5.839 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CD . . . . . . . . . c34209_6f3y 1 . 4 . 503 . 1 1 4 PRO CG C 7.128 0.765 7.324 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CG . . . . . . . . . c34209_6f3y 1 . 4 . 504 . 1 1 4 PRO HA H 5.303 3.291 6.354 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HA . . . . . . . . . c34209_6f3y 1 . 4 . 505 . 1 1 4 PRO HB2 H 6.619 2.428 8.566 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 4 . 506 . 1 1 4 PRO HB3 H 5.232 1.574 7.879 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 4 . 507 . 1 1 4 PRO HD2 H 7.902 0.271 5.395 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 4 . 508 . 1 1 4 PRO HD3 H 6.187 -0.123 5.625 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 4 . 509 . 1 1 4 PRO HG2 H 8.153 1.001 7.566 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 4 . 510 . 1 1 4 PRO HG3 H 6.815 -0.129 7.842 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 4 . 511 . 1 1 4 PRO N N 6.598 1.935 5.373 . . . 1.0 . . . . . . . . . . . . A . 4 PRO N . . . . . . . . . c34209_6f3y 1 . 4 . 512 . 1 1 4 PRO O O 8.519 3.682 6.512 . . . 1.0 . . . . . . . . . . . . A . 4 PRO O . . . . . . . . . c34209_6f3y 1 . 4 . 513 . 1 1 5 GLY C C 7.881 7.137 6.009 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . c34209_6f3y 1 . 4 . 514 . 1 1 5 GLY CA C 7.783 6.234 7.222 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . c34209_6f3y 1 . 4 . 515 . 1 1 5 GLY H H 5.905 5.260 7.131 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . c34209_6f3y 1 . 4 . 516 . 1 1 5 GLY HA2 H 7.442 6.816 8.065 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . c34209_6f3y 1 . 4 . 517 . 1 1 5 GLY HA3 H 8.764 5.840 7.443 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . c34209_6f3y 1 . 4 . 518 . 1 1 5 GLY N N 6.869 5.125 7.016 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . c34209_6f3y 1 . 4 . 519 . 1 1 5 GLY O O 8.298 8.291 6.117 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . c34209_6f3y 1 . 4 . 520 . 1 1 6 PHE C C 6.591 8.568 3.668 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34209_6f3y 1 . 4 . 521 . 1 1 6 PHE CA C 7.546 7.379 3.610 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34209_6f3y 1 . 4 . 522 . 1 1 6 PHE CB C 7.196 6.485 2.419 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34209_6f3y 1 . 4 . 523 . 1 1 6 PHE CD1 C 7.109 8.077 0.481 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34209_6f3y 1 . 4 . 524 . 1 1 6 PHE CD2 C 8.815 6.412 0.504 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34209_6f3y 1 . 4 . 525 . 1 1 6 PHE CE1 C 7.586 8.555 -0.725 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34209_6f3y 1 . 4 . 526 . 1 1 6 PHE CE2 C 9.297 6.885 -0.702 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34209_6f3y 1 . 4 . 527 . 1 1 6 PHE CG C 7.717 7.002 1.108 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34209_6f3y 1 . 4 . 528 . 1 1 6 PHE CZ C 8.681 7.957 -1.318 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34209_6f3y 1 . 4 . 529 . 1 1 6 PHE H H 7.174 5.687 4.828 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34209_6f3y 1 . 4 . 530 . 1 1 6 PHE HA H 8.553 7.747 3.489 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34209_6f3y 1 . 4 . 531 . 1 1 6 PHE HB2 H 7.615 5.504 2.579 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34209_6f3y 1 . 4 . 532 . 1 1 6 PHE HB3 H 6.122 6.405 2.342 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34209_6f3y 1 . 4 . 533 . 1 1 6 PHE HD1 H 6.251 8.545 0.944 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34209_6f3y 1 . 4 . 534 . 1 1 6 PHE HD2 H 9.297 5.572 0.983 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34209_6f3y 1 . 4 . 535 . 1 1 6 PHE HE1 H 7.102 9.393 -1.204 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34209_6f3y 1 . 4 . 536 . 1 1 6 PHE HE2 H 10.154 6.416 -1.163 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34209_6f3y 1 . 4 . 537 . 1 1 6 PHE HZ H 9.056 8.329 -2.259 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34209_6f3y 1 . 4 . 538 . 1 1 6 PHE N N 7.497 6.613 4.850 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34209_6f3y 1 . 4 . 539 . 1 1 6 PHE O O 5.484 8.463 4.195 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34209_6f3y 1 . 4 . 540 . 1 1 7 SER C C 5.918 11.354 1.686 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c34209_6f3y 1 . 4 . 541 . 1 1 7 SER CA C 6.216 10.908 3.114 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c34209_6f3y 1 . 4 . 542 . 1 1 7 SER CB C 6.926 12.030 3.873 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c34209_6f3y 1 . 4 . 543 . 1 1 7 SER H H 7.921 9.719 2.717 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c34209_6f3y 1 . 4 . 544 . 1 1 7 SER HA H 5.283 10.684 3.610 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c34209_6f3y 1 . 4 . 545 . 1 1 7 SER HB2 H 7.993 11.869 3.833 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c34209_6f3y 1 . 4 . 546 . 1 1 7 SER HB3 H 6.688 12.979 3.413 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c34209_6f3y 1 . 4 . 547 . 1 1 7 SER HG H 6.218 12.950 5.451 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c34209_6f3y 1 . 4 . 548 . 1 1 7 SER N N 7.029 9.698 3.122 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c34209_6f3y 1 . 4 . 549 . 1 1 7 SER O O 6.598 10.969 0.734 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c34209_6f3y 1 . 4 . 550 . 1 1 7 SER OG O 6.520 12.066 5.230 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c34209_6f3y 1 . 4 . 551 . 1 1 8 PRO C C 5.469 13.696 -0.351 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c34209_6f3y 1 . 4 . 552 . 1 1 8 PRO CA C 4.465 12.702 0.222 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c34209_6f3y 1 . 4 . 553 . 1 1 8 PRO CB C 3.134 13.398 0.519 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c34209_6f3y 1 . 4 . 554 . 1 1 8 PRO CD C 4.022 12.685 2.621 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c34209_6f3y 1 . 4 . 555 . 1 1 8 PRO CG C 3.212 13.766 1.961 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c34209_6f3y 1 . 4 . 556 . 1 1 8 PRO HA H 4.305 11.904 -0.487 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c34209_6f3y 1 . 4 . 557 . 1 1 8 PRO HB2 H 3.035 14.273 -0.108 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 4 . 558 . 1 1 8 PRO HB3 H 2.318 12.718 0.330 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 4 . 559 . 1 1 8 PRO HD2 H 4.619 13.096 3.421 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 4 . 560 . 1 1 8 PRO HD3 H 3.376 11.903 2.992 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 4 . 561 . 1 1 8 PRO HG2 H 3.703 14.721 2.070 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 4 . 562 . 1 1 8 PRO HG3 H 2.219 13.801 2.385 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 4 . 563 . 1 1 8 PRO N N 4.877 12.185 1.531 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c34209_6f3y 1 . 4 . 564 . 1 1 8 PRO O O 6.069 14.481 0.384 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c34209_6f3y 1 . 4 . 565 . 1 1 9 PHE C C 6.347 14.552 -3.847 . . . 1.0 . . . . . . . . . . . . A . 9 PHE C . . . . . . . . . c34209_6f3y 1 . 4 . 566 . 1 1 9 PHE CA C 6.580 14.555 -2.339 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CA . . . . . . . . . c34209_6f3y 1 . 4 . 567 . 1 1 9 PHE CB C 8.023 14.147 -2.033 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CB . . . . . . . . . c34209_6f3y 1 . 4 . 568 . 1 1 9 PHE CD1 C 8.824 16.356 -1.152 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD1 . . . . . . . . . c34209_6f3y 1 . 4 . 569 . 1 1 9 PHE CD2 C 10.050 15.329 -2.921 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD2 . . . . . . . . . c34209_6f3y 1 . 4 . 570 . 1 1 9 PHE CE1 C 9.708 17.419 -1.152 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE1 . . . . . . . . . c34209_6f3y 1 . 4 . 571 . 1 1 9 PHE CE2 C 10.937 16.389 -2.924 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE2 . . . . . . . . . c34209_6f3y 1 . 4 . 572 . 1 1 9 PHE CG C 8.985 15.301 -2.035 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CG . . . . . . . . . c34209_6f3y 1 . 4 . 573 . 1 1 9 PHE CZ C 10.765 17.436 -2.040 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CZ . . . . . . . . . c34209_6f3y 1 . 4 . 574 . 1 1 9 PHE H H 5.140 13.009 -2.199 . . . 1.0 . . . . . . . . . . . . A . 9 PHE H . . . . . . . . . c34209_6f3y 1 . 4 . 575 . 1 1 9 PHE HA H 6.409 15.552 -1.962 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HA . . . . . . . . . c34209_6f3y 1 . 4 . 576 . 1 1 9 PHE HB2 H 8.060 13.686 -1.058 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB2 . . . . . . . . . c34209_6f3y 1 . 4 . 577 . 1 1 9 PHE HB3 H 8.353 13.436 -2.776 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB3 . . . . . . . . . c34209_6f3y 1 . 4 . 578 . 1 1 9 PHE HD1 H 7.996 16.344 -0.457 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD1 . . . . . . . . . c34209_6f3y 1 . 4 . 579 . 1 1 9 PHE HD2 H 10.186 14.512 -3.614 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD2 . . . . . . . . . c34209_6f3y 1 . 4 . 580 . 1 1 9 PHE HE1 H 9.570 18.235 -0.458 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE1 . . . . . . . . . c34209_6f3y 1 . 4 . 581 . 1 1 9 PHE HE2 H 11.763 16.400 -3.620 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE2 . . . . . . . . . c34209_6f3y 1 . 4 . 582 . 1 1 9 PHE HZ H 11.457 18.265 -2.040 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HZ . . . . . . . . . c34209_6f3y 1 . 4 . 583 . 1 1 9 PHE N N 5.647 13.658 -1.667 . . . 1.0 . . . . . . . . . . . . A . 9 PHE N . . . . . . . . . c34209_6f3y 1 . 4 . 584 . 1 1 9 PHE O O 5.904 15.547 -4.418 . . . 1.0 . . . . . . . . . . . . A . 9 PHE O . . . . . . . . . c34209_6f3y 1 . 5 . 585 . 1 1 1 LYS C C 4.205 2.542 -2.810 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c34209_6f3y 1 . 5 . 586 . 1 1 1 LYS CA C 2.839 2.340 -3.458 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c34209_6f3y 1 . 5 . 587 . 1 1 1 LYS CB C 2.291 0.956 -3.099 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c34209_6f3y 1 . 5 . 588 . 1 1 1 LYS CD C 0.417 -0.248 -1.938 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c34209_6f3y 1 . 5 . 589 . 1 1 1 LYS CE C 1.195 -1.528 -1.674 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c34209_6f3y 1 . 5 . 590 . 1 1 1 LYS CG C 1.327 0.970 -1.926 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c34209_6f3y 1 . 5 . 591 . 1 1 1 LYS H1 H 3.544 1.924 -5.410 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c34209_6f3y 1 . 5 . 592 . 1 1 1 LYS HA H 2.162 3.093 -3.084 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c34209_6f3y 1 . 5 . 593 . 1 1 1 LYS HB2 H 1.776 0.552 -3.957 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c34209_6f3y 1 . 5 . 594 . 1 1 1 LYS HB3 H 3.120 0.309 -2.849 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c34209_6f3y 1 . 5 . 595 . 1 1 1 LYS HD2 H -0.335 -0.132 -1.171 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c34209_6f3y 1 . 5 . 596 . 1 1 1 LYS HD3 H -0.060 -0.319 -2.905 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c34209_6f3y 1 . 5 . 597 . 1 1 1 LYS HE2 H 1.514 -1.941 -2.619 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c34209_6f3y 1 . 5 . 598 . 1 1 1 LYS HE3 H 2.061 -1.289 -1.074 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c34209_6f3y 1 . 5 . 599 . 1 1 1 LYS HG2 H 1.892 0.973 -1.006 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c34209_6f3y 1 . 5 . 600 . 1 1 1 LYS HG3 H 0.720 1.862 -1.981 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c34209_6f3y 1 . 5 . 601 . 1 1 1 LYS HZ1 H 0.927 -3.405 -0.798 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c34209_6f3y 1 . 5 . 602 . 1 1 1 LYS HZ2 H -0.470 -2.779 -1.518 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c34209_6f3y 1 . 5 . 603 . 1 1 1 LYS HZ3 H 0.066 -2.163 -0.036 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c34209_6f3y 1 . 5 . 604 . 1 1 1 LYS N N 2.922 2.490 -4.906 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c34209_6f3y 1 . 5 . 605 . 1 1 1 LYS NZ N 0.372 -2.539 -0.956 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c34209_6f3y 1 . 5 . 606 . 1 1 1 LYS O O 5.233 2.516 -3.487 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c34209_6f3y 1 . 5 . 607 . 1 1 2 ARG C C 5.400 2.242 0.594 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c34209_6f3y 1 . 5 . 608 . 1 1 2 ARG CA C 5.449 2.947 -0.758 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c34209_6f3y 1 . 5 . 609 . 1 1 2 ARG CB C 5.706 4.441 -0.557 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c34209_6f3y 1 . 5 . 610 . 1 1 2 ARG CD C 6.074 6.427 -2.053 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c34209_6f3y 1 . 5 . 611 . 1 1 2 ARG CG C 6.585 5.058 -1.633 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c34209_6f3y 1 . 5 . 612 . 1 1 2 ARG CZ C 4.901 6.039 -4.178 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c34209_6f3y 1 . 5 . 613 . 1 1 2 ARG H H 3.357 2.751 -1.012 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c34209_6f3y 1 . 5 . 614 . 1 1 2 ARG HA H 6.255 2.527 -1.341 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c34209_6f3y 1 . 5 . 615 . 1 1 2 ARG HB2 H 4.759 4.961 -0.556 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c34209_6f3y 1 . 5 . 616 . 1 1 2 ARG HB3 H 6.188 4.586 0.398 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c34209_6f3y 1 . 5 . 617 . 1 1 2 ARG HD2 H 5.841 6.998 -1.166 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c34209_6f3y 1 . 5 . 618 . 1 1 2 ARG HD3 H 6.849 6.930 -2.611 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c34209_6f3y 1 . 5 . 619 . 1 1 2 ARG HE H 4.011 6.498 -2.453 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c34209_6f3y 1 . 5 . 620 . 1 1 2 ARG HG2 H 7.589 5.164 -1.248 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c34209_6f3y 1 . 5 . 621 . 1 1 2 ARG HG3 H 6.594 4.407 -2.494 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c34209_6f3y 1 . 5 . 622 . 1 1 2 ARG HH11 H 6.911 5.860 -4.272 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c34209_6f3y 1 . 5 . 623 . 1 1 2 ARG HH12 H 6.072 5.589 -5.763 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c34209_6f3y 1 . 5 . 624 . 1 1 2 ARG HH21 H 2.895 6.143 -4.410 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c34209_6f3y 1 . 5 . 625 . 1 1 2 ARG HH22 H 3.788 5.751 -5.841 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c34209_6f3y 1 . 5 . 626 . 1 1 2 ARG N N 4.208 2.741 -1.496 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c34209_6f3y 1 . 5 . 627 . 1 1 2 ARG NE N 4.876 6.333 -2.883 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c34209_6f3y 1 . 5 . 628 . 1 1 2 ARG NH1 N 6.056 5.811 -4.788 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c34209_6f3y 1 . 5 . 629 . 1 1 2 ARG NH2 N 3.768 5.972 -4.867 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c34209_6f3y 1 . 5 . 630 . 1 1 2 ARG O O 4.333 1.907 1.109 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c34209_6f3y 1 . 5 . 631 . 1 1 3 PRO C C 6.188 2.209 3.629 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34209_6f3y 1 . 5 . 632 . 1 1 3 PRO CA C 6.701 1.343 2.484 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34209_6f3y 1 . 5 . 633 . 1 1 3 PRO CB C 8.206 1.106 2.625 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34209_6f3y 1 . 5 . 634 . 1 1 3 PRO CD C 7.894 2.382 0.628 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34209_6f3y 1 . 5 . 635 . 1 1 3 PRO CG C 8.836 2.157 1.778 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34209_6f3y 1 . 5 . 636 . 1 1 3 PRO HA H 6.183 0.395 2.492 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34209_6f3y 1 . 5 . 637 . 1 1 3 PRO HB2 H 8.494 1.208 3.662 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 5 . 638 . 1 1 3 PRO HB3 H 8.453 0.115 2.273 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 5 . 639 . 1 1 3 PRO HD2 H 7.905 3.419 0.327 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 5 . 640 . 1 1 3 PRO HD3 H 8.154 1.743 -0.204 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 5 . 641 . 1 1 3 PRO HG2 H 8.955 3.065 2.348 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 5 . 642 . 1 1 3 PRO HG3 H 9.793 1.811 1.415 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 5 . 643 . 1 1 3 PRO N N 6.582 2.010 1.184 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34209_6f3y 1 . 5 . 644 . 1 1 3 PRO O O 5.947 3.406 3.474 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34209_6f3y 1 . 5 . 645 . 1 1 4 PRO C C 6.559 3.276 6.555 . . . 1.0 . . . . . . . . . . . . A . 4 PRO C . . . . . . . . . c34209_6f3y 1 . 5 . 646 . 1 1 4 PRO CA C 5.534 2.291 6.003 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CA . . . . . . . . . c34209_6f3y 1 . 5 . 647 . 1 1 4 PRO CB C 5.292 1.156 7.002 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CB . . . . . . . . . c34209_6f3y 1 . 5 . 648 . 1 1 4 PRO CD C 6.287 0.168 5.066 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CD . . . . . . . . . c34209_6f3y 1 . 5 . 649 . 1 1 4 PRO CG C 6.205 0.064 6.564 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CG . . . . . . . . . c34209_6f3y 1 . 5 . 650 . 1 1 4 PRO HA H 4.606 2.808 5.812 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HA . . . . . . . . . c34209_6f3y 1 . 5 . 651 . 1 1 4 PRO HB2 H 5.530 1.495 8.001 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 5 . 652 . 1 1 4 PRO HB3 H 4.258 0.848 6.958 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 5 . 653 . 1 1 4 PRO HD2 H 7.273 -0.107 4.722 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 5 . 654 . 1 1 4 PRO HD3 H 5.536 -0.454 4.603 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 5 . 655 . 1 1 4 PRO HG2 H 7.181 0.203 7.003 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 5 . 656 . 1 1 4 PRO HG3 H 5.796 -0.893 6.851 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 5 . 657 . 1 1 4 PRO N N 6.018 1.593 4.808 . . . 1.0 . . . . . . . . . . . . A . 4 PRO N . . . . . . . . . c34209_6f3y 1 . 5 . 658 . 1 1 4 PRO O O 7.760 3.010 6.543 . . . 1.0 . . . . . . . . . . . . A . 4 PRO O . . . . . . . . . c34209_6f3y 1 . 5 . 659 . 1 1 5 GLY C C 7.327 6.491 6.575 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . c34209_6f3y 1 . 5 . 660 . 1 1 5 GLY CA C 6.964 5.424 7.588 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . c34209_6f3y 1 . 5 . 661 . 1 1 5 GLY H H 5.109 4.575 7.023 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . c34209_6f3y 1 . 5 . 662 . 1 1 5 GLY HA2 H 6.480 5.893 8.432 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . c34209_6f3y 1 . 5 . 663 . 1 1 5 GLY HA3 H 7.870 4.943 7.927 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . c34209_6f3y 1 . 5 . 664 . 1 1 5 GLY N N 6.076 4.416 7.039 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . c34209_6f3y 1 . 5 . 665 . 1 1 5 GLY O O 7.758 7.585 6.942 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . c34209_6f3y 1 . 5 . 666 . 1 1 6 PHE C C 6.480 8.274 4.212 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34209_6f3y 1 . 5 . 667 . 1 1 6 PHE CA C 7.471 7.113 4.226 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34209_6f3y 1 . 5 . 668 . 1 1 6 PHE CB C 7.458 6.400 2.873 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34209_6f3y 1 . 5 . 669 . 1 1 6 PHE CD1 C 9.691 7.073 1.948 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34209_6f3y 1 . 5 . 670 . 1 1 6 PHE CD2 C 7.731 7.699 0.743 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34209_6f3y 1 . 5 . 671 . 1 1 6 PHE CE1 C 10.478 7.689 0.993 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34209_6f3y 1 . 5 . 672 . 1 1 6 PHE CE2 C 8.513 8.316 -0.215 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34209_6f3y 1 . 5 . 673 . 1 1 6 PHE CG C 8.310 7.071 1.834 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34209_6f3y 1 . 5 . 674 . 1 1 6 PHE CZ C 9.888 8.312 -0.089 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34209_6f3y 1 . 5 . 675 . 1 1 6 PHE H H 6.808 5.286 5.067 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34209_6f3y 1 . 5 . 676 . 1 1 6 PHE HA H 8.460 7.502 4.409 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34209_6f3y 1 . 5 . 677 . 1 1 6 PHE HB2 H 7.823 5.393 3.001 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34209_6f3y 1 . 5 . 678 . 1 1 6 PHE HB3 H 6.445 6.367 2.501 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34209_6f3y 1 . 5 . 679 . 1 1 6 PHE HD1 H 10.154 6.586 2.795 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34209_6f3y 1 . 5 . 680 . 1 1 6 PHE HD2 H 6.655 7.704 0.644 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34209_6f3y 1 . 5 . 681 . 1 1 6 PHE HE1 H 11.554 7.684 1.095 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34209_6f3y 1 . 5 . 682 . 1 1 6 PHE HE2 H 8.049 8.803 -1.060 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34209_6f3y 1 . 5 . 683 . 1 1 6 PHE HZ H 10.502 8.793 -0.836 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34209_6f3y 1 . 5 . 684 . 1 1 6 PHE N N 7.155 6.174 5.296 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34209_6f3y 1 . 5 . 685 . 1 1 6 PHE O O 5.325 8.124 4.611 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34209_6f3y 1 . 5 . 686 . 1 1 7 SER C C 5.718 10.941 2.245 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c34209_6f3y 1 . 5 . 687 . 1 1 7 SER CA C 6.098 10.620 3.687 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c34209_6f3y 1 . 5 . 688 . 1 1 7 SER CB C 6.818 11.815 4.315 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c34209_6f3y 1 . 5 . 689 . 1 1 7 SER H H 7.872 9.489 3.446 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c34209_6f3y 1 . 5 . 690 . 1 1 7 SER HA H 5.198 10.418 4.248 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c34209_6f3y 1 . 5 . 691 . 1 1 7 SER HB2 H 7.102 12.509 3.539 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c34209_6f3y 1 . 5 . 692 . 1 1 7 SER HB3 H 6.154 12.306 5.012 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c34209_6f3y 1 . 5 . 693 . 1 1 7 SER HG H 7.861 11.538 5.950 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c34209_6f3y 1 . 5 . 694 . 1 1 7 SER N N 6.941 9.432 3.750 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c34209_6f3y 1 . 5 . 695 . 1 1 7 SER O O 6.359 10.494 1.293 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c34209_6f3y 1 . 5 . 696 . 1 1 7 SER OG O 7.983 11.403 5.008 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c34209_6f3y 1 . 5 . 697 . 1 1 8 PRO C C 5.108 13.099 0.053 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c34209_6f3y 1 . 5 . 698 . 1 1 8 PRO CA C 4.159 12.134 0.756 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c34209_6f3y 1 . 5 . 699 . 1 1 8 PRO CB C 2.828 12.824 1.065 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c34209_6f3y 1 . 5 . 700 . 1 1 8 PRO CD C 3.839 12.303 3.168 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c34209_6f3y 1 . 5 . 701 . 1 1 8 PRO CG C 2.970 13.310 2.466 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c34209_6f3y 1 . 5 . 702 . 1 1 8 PRO HA H 3.984 11.277 0.122 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c34209_6f3y 1 . 5 . 703 . 1 1 8 PRO HB2 H 2.675 13.642 0.375 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 5 . 704 . 1 1 8 PRO HB3 H 2.021 12.113 0.974 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 5 . 705 . 1 1 8 PRO HD2 H 4.465 12.791 3.900 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 5 . 706 . 1 1 8 PRO HD3 H 3.232 11.541 3.634 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 5 . 707 . 1 1 8 PRO HG2 H 3.440 14.281 2.472 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 5 . 708 . 1 1 8 PRO HG3 H 1.999 13.359 2.937 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 5 . 709 . 1 1 8 PRO N N 4.650 11.735 2.078 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c34209_6f3y 1 . 5 . 710 . 1 1 8 PRO O O 5.813 13.874 0.699 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c34209_6f3y 1 . 5 . 711 . 1 1 9 PHE C C 5.250 15.192 -2.467 . . . 1.0 . . . . . . . . . . . . A . 9 PHE C . . . . . . . . . c34209_6f3y 1 . 5 . 712 . 1 1 9 PHE CA C 5.984 13.916 -2.066 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CA . . . . . . . . . c34209_6f3y 1 . 5 . 713 . 1 1 9 PHE CB C 6.475 13.182 -3.316 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CB . . . . . . . . . c34209_6f3y 1 . 5 . 714 . 1 1 9 PHE CD1 C 8.100 14.842 -4.264 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD1 . . . . . . . . . c34209_6f3y 1 . 5 . 715 . 1 1 9 PHE CD2 C 8.918 12.697 -3.619 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD2 . . . . . . . . . c34209_6f3y 1 . 5 . 716 . 1 1 9 PHE CE1 C 9.372 15.214 -4.656 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE1 . . . . . . . . . c34209_6f3y 1 . 5 . 717 . 1 1 9 PHE CE2 C 10.193 13.064 -4.009 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE2 . . . . . . . . . c34209_6f3y 1 . 5 . 718 . 1 1 9 PHE CG C 7.859 13.582 -3.741 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CG . . . . . . . . . c34209_6f3y 1 . 5 . 719 . 1 1 9 PHE CZ C 10.420 14.323 -4.529 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CZ . . . . . . . . . c34209_6f3y 1 . 5 . 720 . 1 1 9 PHE H H 4.536 12.407 -1.734 . . . 1.0 . . . . . . . . . . . . A . 9 PHE H . . . . . . . . . c34209_6f3y 1 . 5 . 721 . 1 1 9 PHE HA H 6.835 14.180 -1.457 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HA . . . . . . . . . c34209_6f3y 1 . 5 . 722 . 1 1 9 PHE HB2 H 6.482 12.120 -3.122 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB2 . . . . . . . . . c34209_6f3y 1 . 5 . 723 . 1 1 9 PHE HB3 H 5.802 13.389 -4.134 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB3 . . . . . . . . . c34209_6f3y 1 . 5 . 724 . 1 1 9 PHE HD1 H 7.280 15.541 -4.363 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD1 . . . . . . . . . c34209_6f3y 1 . 5 . 725 . 1 1 9 PHE HD2 H 8.742 11.712 -3.214 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD2 . . . . . . . . . c34209_6f3y 1 . 5 . 726 . 1 1 9 PHE HE1 H 9.546 16.199 -5.062 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE1 . . . . . . . . . c34209_6f3y 1 . 5 . 727 . 1 1 9 PHE HE2 H 11.010 12.365 -3.910 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE2 . . . . . . . . . c34209_6f3y 1 . 5 . 728 . 1 1 9 PHE HZ H 11.414 14.611 -4.835 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HZ . . . . . . . . . c34209_6f3y 1 . 5 . 729 . 1 1 9 PHE N N 5.121 13.046 -1.275 . . . 1.0 . . . . . . . . . . . . A . 9 PHE N . . . . . . . . . c34209_6f3y 1 . 5 . 730 . 1 1 9 PHE O O 4.024 15.208 -2.570 . . . 1.0 . . . . . . . . . . . . A . 9 PHE O . . . . . . . . . c34209_6f3y 1 . 6 . 731 . 1 1 1 LYS C C 3.442 1.623 -1.432 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c34209_6f3y 1 . 6 . 732 . 1 1 1 LYS CA C 1.985 1.623 -1.885 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c34209_6f3y 1 . 6 . 733 . 1 1 1 LYS CB C 1.681 2.905 -2.663 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c34209_6f3y 1 . 6 . 734 . 1 1 1 LYS CD C -0.459 2.441 -3.893 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c34209_6f3y 1 . 6 . 735 . 1 1 1 LYS CE C -0.897 1.163 -4.591 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c34209_6f3y 1 . 6 . 736 . 1 1 1 LYS CG C 1.040 2.657 -4.017 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c34209_6f3y 1 . 6 . 737 . 1 1 1 LYS H1 H 1.425 1.696 0.155 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c34209_6f3y 1 . 6 . 738 . 1 1 1 LYS HA H 1.822 0.773 -2.530 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c34209_6f3y 1 . 6 . 739 . 1 1 1 LYS HB2 H 1.012 3.517 -2.077 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c34209_6f3y 1 . 6 . 740 . 1 1 1 LYS HB3 H 2.605 3.445 -2.819 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c34209_6f3y 1 . 6 . 741 . 1 1 1 LYS HD2 H -0.719 2.373 -2.847 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c34209_6f3y 1 . 6 . 742 . 1 1 1 LYS HD3 H -0.974 3.280 -4.339 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c34209_6f3y 1 . 6 . 743 . 1 1 1 LYS HE2 H -1.942 1.248 -4.847 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c34209_6f3y 1 . 6 . 744 . 1 1 1 LYS HE3 H -0.315 1.043 -5.493 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c34209_6f3y 1 . 6 . 745 . 1 1 1 LYS HG2 H 1.217 3.513 -4.651 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c34209_6f3y 1 . 6 . 746 . 1 1 1 LYS HG3 H 1.486 1.779 -4.461 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c34209_6f3y 1 . 6 . 747 . 1 1 1 LYS HZ1 H -0.726 0.240 -2.725 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c34209_6f3y 1 . 6 . 748 . 1 1 1 LYS HZ2 H 0.211 -0.481 -3.934 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c34209_6f3y 1 . 6 . 749 . 1 1 1 LYS HZ3 H -1.462 -0.727 -3.902 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c34209_6f3y 1 . 6 . 750 . 1 1 1 LYS N N 1.086 1.499 -0.744 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c34209_6f3y 1 . 6 . 751 . 1 1 1 LYS NZ N -0.705 -0.035 -3.728 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c34209_6f3y 1 . 6 . 752 . 1 1 1 LYS O O 4.272 0.896 -1.979 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c34209_6f3y 1 . 6 . 753 . 1 1 2 ARG C C 5.186 1.932 1.494 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c34209_6f3y 1 . 6 . 754 . 1 1 2 ARG CA C 5.102 2.537 0.095 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c34209_6f3y 1 . 6 . 755 . 1 1 2 ARG CB C 5.558 3.996 0.130 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c34209_6f3y 1 . 6 . 756 . 1 1 2 ARG CD C 5.600 4.648 -2.297 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c34209_6f3y 1 . 6 . 757 . 1 1 2 ARG CG C 6.431 4.390 -1.050 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c34209_6f3y 1 . 6 . 758 . 1 1 2 ARG CZ C 7.245 4.472 -4.115 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c34209_6f3y 1 . 6 . 759 . 1 1 2 ARG H H 3.040 2.997 -0.036 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c34209_6f3y 1 . 6 . 760 . 1 1 2 ARG HA H 5.753 1.981 -0.564 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c34209_6f3y 1 . 6 . 761 . 1 1 2 ARG HB2 H 4.686 4.634 0.133 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c34209_6f3y 1 . 6 . 762 . 1 1 2 ARG HB3 H 6.119 4.164 1.037 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c34209_6f3y 1 . 6 . 763 . 1 1 2 ARG HD2 H 4.606 4.259 -2.137 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c34209_6f3y 1 . 6 . 764 . 1 1 2 ARG HD3 H 5.547 5.714 -2.463 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c34209_6f3y 1 . 6 . 765 . 1 1 2 ARG HE H 5.739 3.200 -3.813 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c34209_6f3y 1 . 6 . 766 . 1 1 2 ARG HG2 H 6.974 5.290 -0.800 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c34209_6f3y 1 . 6 . 767 . 1 1 2 ARG HG3 H 7.129 3.591 -1.251 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c34209_6f3y 1 . 6 . 768 . 1 1 2 ARG HH11 H 7.510 6.048 -2.879 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c34209_6f3y 1 . 6 . 769 . 1 1 2 ARG HH12 H 8.663 5.912 -4.165 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c34209_6f3y 1 . 6 . 770 . 1 1 2 ARG HH21 H 7.251 3.010 -5.511 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c34209_6f3y 1 . 6 . 771 . 1 1 2 ARG HH22 H 8.514 4.184 -5.662 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c34209_6f3y 1 . 6 . 772 . 1 1 2 ARG N N 3.745 2.442 -0.431 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c34209_6f3y 1 . 6 . 773 . 1 1 2 ARG NE N 6.174 4.011 -3.479 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c34209_6f3y 1 . 6 . 774 . 1 1 2 ARG NH1 N 7.856 5.567 -3.685 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c34209_6f3y 1 . 6 . 775 . 1 1 2 ARG NH2 N 7.708 3.836 -5.184 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c34209_6f3y 1 . 6 . 776 . 1 1 2 ARG O O 4.182 1.769 2.188 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c34209_6f3y 1 . 6 . 777 . 1 1 3 PRO C C 6.435 1.997 4.370 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34209_6f3y 1 . 6 . 778 . 1 1 3 PRO CA C 6.656 1.000 3.237 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34209_6f3y 1 . 6 . 779 . 1 1 3 PRO CB C 8.128 0.584 3.172 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34209_6f3y 1 . 6 . 780 . 1 1 3 PRO CD C 7.653 1.757 1.144 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34209_6f3y 1 . 6 . 781 . 1 1 3 PRO CG C 8.733 1.490 2.156 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34209_6f3y 1 . 6 . 782 . 1 1 3 PRO HA H 6.041 0.128 3.401 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34209_6f3y 1 . 6 . 783 . 1 1 3 PRO HB2 H 8.586 0.716 4.142 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 6 . 784 . 1 1 3 PRO HB3 H 8.200 -0.450 2.871 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 6 . 785 . 1 1 3 PRO HD2 H 7.737 2.763 0.760 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 6 . 786 . 1 1 3 PRO HD3 H 7.704 1.039 0.339 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 6 . 787 . 1 1 3 PRO HG2 H 9.045 2.411 2.624 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 6 . 788 . 1 1 3 PRO HG3 H 9.575 1.003 1.685 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 6 . 789 . 1 1 3 PRO N N 6.412 1.591 1.918 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34209_6f3y 1 . 6 . 790 . 1 1 3 PRO O O 6.311 3.202 4.153 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34209_6f3y 1 . 6 . 791 . 1 1 4 PRO C C 7.383 3.195 7.109 . . . 1.0 . . . . . . . . . . . . A . 4 PRO C . . . . . . . . . c34209_6f3y 1 . 6 . 792 . 1 1 4 PRO CA C 6.177 2.313 6.800 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CA . . . . . . . . . c34209_6f3y 1 . 6 . 793 . 1 1 4 PRO CB C 5.966 1.286 7.915 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CB . . . . . . . . . c34209_6f3y 1 . 6 . 794 . 1 1 4 PRO CD C 6.523 0.057 5.941 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CD . . . . . . . . . c34209_6f3y 1 . 6 . 795 . 1 1 4 PRO CG C 6.667 0.061 7.438 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CG . . . . . . . . . c34209_6f3y 1 . 6 . 796 . 1 1 4 PRO HA H 5.296 2.931 6.706 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HA . . . . . . . . . c34209_6f3y 1 . 6 . 797 . 1 1 4 PRO HB2 H 6.397 1.656 8.835 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 6 . 798 . 1 1 4 PRO HB3 H 4.910 1.108 8.051 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 6 . 799 . 1 1 4 PRO HD2 H 7.404 -0.363 5.478 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 6 . 800 . 1 1 4 PRO HD3 H 5.642 -0.494 5.648 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 6 . 801 . 1 1 4 PRO HG2 H 7.710 0.103 7.714 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 6 . 802 . 1 1 4 PRO HG3 H 6.201 -0.817 7.861 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 6 . 803 . 1 1 4 PRO N N 6.383 1.485 5.608 . . . 1.0 . . . . . . . . . . . . A . 4 PRO N . . . . . . . . . c34209_6f3y 1 . 6 . 804 . 1 1 4 PRO O O 8.525 2.740 7.059 . . . 1.0 . . . . . . . . . . . . A . 4 PRO O . . . . . . . . . c34209_6f3y 1 . 6 . 805 . 1 1 5 GLY C C 8.486 6.339 6.600 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . c34209_6f3y 1 . 6 . 806 . 1 1 5 GLY CA C 8.194 5.383 7.740 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . c34209_6f3y 1 . 6 . 807 . 1 1 5 GLY H H 6.189 4.766 7.451 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . c34209_6f3y 1 . 6 . 808 . 1 1 5 GLY HA2 H 7.919 5.955 8.614 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . c34209_6f3y 1 . 6 . 809 . 1 1 5 GLY HA3 H 9.088 4.818 7.958 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . c34209_6f3y 1 . 6 . 810 . 1 1 5 GLY N N 7.120 4.459 7.427 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . c34209_6f3y 1 . 6 . 811 . 1 1 5 GLY O O 9.088 7.394 6.804 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . c34209_6f3y 1 . 6 . 812 . 1 1 6 PHE C C 7.180 7.850 4.079 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34209_6f3y 1 . 6 . 813 . 1 1 6 PHE CA C 8.281 6.802 4.220 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34209_6f3y 1 . 6 . 814 . 1 1 6 PHE CB C 8.339 5.935 2.960 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34209_6f3y 1 . 6 . 815 . 1 1 6 PHE CD1 C 8.287 7.281 0.843 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34209_6f3y 1 . 6 . 816 . 1 1 6 PHE CD2 C 10.402 6.556 1.674 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34209_6f3y 1 . 6 . 817 . 1 1 6 PHE CE1 C 8.914 7.898 -0.223 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34209_6f3y 1 . 6 . 818 . 1 1 6 PHE CE2 C 11.033 7.172 0.610 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34209_6f3y 1 . 6 . 819 . 1 1 6 PHE CG C 9.023 6.604 1.803 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34209_6f3y 1 . 6 . 820 . 1 1 6 PHE CZ C 10.289 7.843 -0.340 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34209_6f3y 1 . 6 . 821 . 1 1 6 PHE H H 7.585 5.118 5.298 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34209_6f3y 1 . 6 . 822 . 1 1 6 PHE HA H 9.227 7.306 4.344 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34209_6f3y 1 . 6 . 823 . 1 1 6 PHE HB2 H 8.877 5.026 3.182 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34209_6f3y 1 . 6 . 824 . 1 1 6 PHE HB3 H 7.333 5.688 2.656 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34209_6f3y 1 . 6 . 825 . 1 1 6 PHE HD1 H 7.211 7.325 0.934 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34209_6f3y 1 . 6 . 826 . 1 1 6 PHE HD2 H 10.985 6.031 2.415 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34209_6f3y 1 . 6 . 827 . 1 1 6 PHE HE1 H 8.328 8.422 -0.964 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34209_6f3y 1 . 6 . 828 . 1 1 6 PHE HE2 H 12.109 7.126 0.520 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34209_6f3y 1 . 6 . 829 . 1 1 6 PHE HZ H 10.780 8.325 -1.172 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34209_6f3y 1 . 6 . 830 . 1 1 6 PHE N N 8.059 5.971 5.397 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34209_6f3y 1 . 6 . 831 . 1 1 6 PHE O O 5.995 7.540 4.197 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34209_6f3y 1 . 6 . 832 . 1 1 7 SER C C 6.266 10.389 2.208 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c34209_6f3y 1 . 6 . 833 . 1 1 7 SER CA C 6.632 10.187 3.675 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c34209_6f3y 1 . 6 . 834 . 1 1 7 SER CB C 7.215 11.480 4.249 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c34209_6f3y 1 . 6 . 835 . 1 1 7 SER H H 8.542 9.275 3.744 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c34209_6f3y 1 . 6 . 836 . 1 1 7 SER HA H 5.739 9.929 4.224 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c34209_6f3y 1 . 6 . 837 . 1 1 7 SER HB2 H 8.291 11.455 4.164 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c34209_6f3y 1 . 6 . 838 . 1 1 7 SER HB3 H 6.829 12.323 3.695 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c34209_6f3y 1 . 6 . 839 . 1 1 7 SER HG H 7.432 11.074 6.153 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c34209_6f3y 1 . 6 . 840 . 1 1 7 SER N N 7.583 9.092 3.827 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c34209_6f3y 1 . 6 . 841 . 1 1 7 SER O O 6.975 9.954 1.299 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c34209_6f3y 1 . 6 . 842 . 1 1 7 SER OG O 6.868 11.633 5.615 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c34209_6f3y 1 . 6 . 843 . 1 1 8 PRO C C 5.518 12.352 -0.121 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c34209_6f3y 1 . 6 . 844 . 1 1 8 PRO CA C 4.646 11.340 0.614 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c34209_6f3y 1 . 6 . 845 . 1 1 8 PRO CB C 3.246 11.913 0.850 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c34209_6f3y 1 . 6 . 846 . 1 1 8 PRO CD C 4.238 11.611 3.003 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c34209_6f3y 1 . 6 . 847 . 1 1 8 PRO CG C 3.298 12.488 2.223 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c34209_6f3y 1 . 6 . 848 . 1 1 8 PRO HA H 4.572 10.436 0.027 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c34209_6f3y 1 . 6 . 849 . 1 1 8 PRO HB2 H 3.036 12.673 0.110 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 6 . 850 . 1 1 8 PRO HB3 H 2.513 11.123 0.780 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 6 . 851 . 1 1 8 PRO HD2 H 4.793 12.197 3.721 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 6 . 852 . 1 1 8 PRO HD3 H 3.694 10.821 3.499 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 6 . 853 . 1 1 8 PRO HG2 H 3.674 13.499 2.184 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 6 . 854 . 1 1 8 PRO HG3 H 2.314 12.469 2.667 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 6 . 855 . 1 1 8 PRO N N 5.132 11.064 1.969 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c34209_6f3y 1 . 6 . 856 . 1 1 8 PRO O O 5.986 13.327 0.468 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c34209_6f3y 1 . 6 . 857 . 1 1 9 PHE C C 7.988 13.046 -1.713 . . . 1.0 . . . . . . . . . . . . A . 9 PHE C . . . . . . . . . c34209_6f3y 1 . 6 . 858 . 1 1 9 PHE CA C 6.552 13.004 -2.226 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CA . . . . . . . . . c34209_6f3y 1 . 6 . 859 . 1 1 9 PHE CB C 5.959 14.415 -2.230 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CB . . . . . . . . . c34209_6f3y 1 . 6 . 860 . 1 1 9 PHE CD1 C 4.762 15.344 -4.230 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD1 . . . . . . . . . c34209_6f3y 1 . 6 . 861 . 1 1 9 PHE CD2 C 7.146 15.382 -4.217 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD2 . . . . . . . . . c34209_6f3y 1 . 6 . 862 . 1 1 9 PHE CE1 C 4.755 15.938 -5.478 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE1 . . . . . . . . . c34209_6f3y 1 . 6 . 863 . 1 1 9 PHE CE2 C 7.146 15.977 -5.465 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE2 . . . . . . . . . c34209_6f3y 1 . 6 . 864 . 1 1 9 PHE CG C 5.955 15.060 -3.586 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CG . . . . . . . . . c34209_6f3y 1 . 6 . 865 . 1 1 9 PHE CZ C 5.949 16.253 -6.097 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CZ . . . . . . . . . c34209_6f3y 1 . 6 . 866 . 1 1 9 PHE H H 5.334 11.320 -1.823 . . . 1.0 . . . . . . . . . . . . A . 9 PHE H . . . . . . . . . c34209_6f3y 1 . 6 . 867 . 1 1 9 PHE HA H 6.553 12.621 -3.234 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HA . . . . . . . . . c34209_6f3y 1 . 6 . 868 . 1 1 9 PHE HB2 H 4.938 14.369 -1.882 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB2 . . . . . . . . . c34209_6f3y 1 . 6 . 869 . 1 1 9 PHE HB3 H 6.534 15.041 -1.564 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB3 . . . . . . . . . c34209_6f3y 1 . 6 . 870 . 1 1 9 PHE HD1 H 3.827 15.096 -3.747 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD1 . . . . . . . . . c34209_6f3y 1 . 6 . 871 . 1 1 9 PHE HD2 H 8.083 15.165 -3.725 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD2 . . . . . . . . . c34209_6f3y 1 . 6 . 872 . 1 1 9 PHE HE1 H 3.818 16.152 -5.969 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE1 . . . . . . . . . c34209_6f3y 1 . 6 . 873 . 1 1 9 PHE HE2 H 8.080 16.222 -5.947 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE2 . . . . . . . . . c34209_6f3y 1 . 6 . 874 . 1 1 9 PHE HZ H 5.946 16.718 -7.072 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HZ . . . . . . . . . c34209_6f3y 1 . 6 . 875 . 1 1 9 PHE N N 5.734 12.114 -1.410 . . . 1.0 . . . . . . . . . . . . A . 9 PHE N . . . . . . . . . c34209_6f3y 1 . 6 . 876 . 1 1 9 PHE O O 8.615 12.007 -1.509 . . . 1.0 . . . . . . . . . . . . A . 9 PHE O . . . . . . . . . c34209_6f3y 1 . 7 . 877 . 1 1 1 LYS C C 3.238 1.954 -2.245 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c34209_6f3y 1 . 7 . 878 . 1 1 1 LYS CA C 1.796 1.634 -2.624 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c34209_6f3y 1 . 7 . 879 . 1 1 1 LYS CB C 1.646 0.133 -2.882 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c34209_6f3y 1 . 7 . 880 . 1 1 1 LYS CD C 0.691 -0.665 -0.700 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c34209_6f3y 1 . 7 . 881 . 1 1 1 LYS CE C -0.090 -1.846 -0.144 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c34209_6f3y 1 . 7 . 882 . 1 1 1 LYS CG C 0.445 -0.487 -2.189 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c34209_6f3y 1 . 7 . 883 . 1 1 1 LYS H1 H 1.949 3.133 -4.111 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c34209_6f3y 1 . 7 . 884 . 1 1 1 LYS HA H 1.150 1.916 -1.807 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c34209_6f3y 1 . 7 . 885 . 1 1 1 LYS HB2 H 1.546 -0.029 -3.945 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c34209_6f3y 1 . 7 . 886 . 1 1 1 LYS HB3 H 2.536 -0.370 -2.533 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c34209_6f3y 1 . 7 . 887 . 1 1 1 LYS HD2 H 1.745 -0.836 -0.536 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c34209_6f3y 1 . 7 . 888 . 1 1 1 LYS HD3 H 0.385 0.234 -0.183 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c34209_6f3y 1 . 7 . 889 . 1 1 1 LYS HE2 H -1.140 -1.595 -0.137 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c34209_6f3y 1 . 7 . 890 . 1 1 1 LYS HE3 H 0.072 -2.701 -0.783 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c34209_6f3y 1 . 7 . 891 . 1 1 1 LYS HG2 H -0.411 0.157 -2.327 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c34209_6f3y 1 . 7 . 892 . 1 1 1 LYS HG3 H 0.246 -1.453 -2.630 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c34209_6f3y 1 . 7 . 893 . 1 1 1 LYS HZ1 H 1.333 -2.486 1.245 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c34209_6f3y 1 . 7 . 894 . 1 1 1 LYS HZ2 H -0.247 -2.966 1.612 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c34209_6f3y 1 . 7 . 895 . 1 1 1 LYS HZ3 H 0.229 -1.363 1.864 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c34209_6f3y 1 . 7 . 896 . 1 1 1 LYS N N 1.387 2.392 -3.801 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c34209_6f3y 1 . 7 . 897 . 1 1 1 LYS NZ N 0.336 -2.189 1.241 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c34209_6f3y 1 . 7 . 898 . 1 1 1 LYS O O 4.172 1.601 -2.965 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c34209_6f3y 1 . 7 . 899 . 1 1 2 ARG C C 5.005 2.404 0.749 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c34209_6f3y 1 . 7 . 900 . 1 1 2 ARG CA C 4.740 2.990 -0.635 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c34209_6f3y 1 . 7 . 901 . 1 1 2 ARG CB C 4.887 4.513 -0.591 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c34209_6f3y 1 . 7 . 902 . 1 1 2 ARG CD C 4.452 5.619 -2.805 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c34209_6f3y 1 . 7 . 903 . 1 1 2 ARG CG C 5.511 5.100 -1.846 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c34209_6f3y 1 . 7 . 904 . 1 1 2 ARG CZ C 5.512 5.328 -5.004 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c34209_6f3y 1 . 7 . 905 . 1 1 2 ARG H H 2.628 2.877 -0.579 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c34209_6f3y 1 . 7 . 906 . 1 1 2 ARG HA H 5.463 2.588 -1.328 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c34209_6f3y 1 . 7 . 907 . 1 1 2 ARG HB2 H 3.909 4.954 -0.462 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c34209_6f3y 1 . 7 . 908 . 1 1 2 ARG HB3 H 5.507 4.778 0.252 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c34209_6f3y 1 . 7 . 909 . 1 1 2 ARG HD2 H 3.769 4.815 -3.036 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c34209_6f3y 1 . 7 . 910 . 1 1 2 ARG HD3 H 3.912 6.422 -2.324 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c34209_6f3y 1 . 7 . 911 . 1 1 2 ARG HE H 5.072 7.088 -4.174 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c34209_6f3y 1 . 7 . 912 . 1 1 2 ARG HG2 H 6.159 5.918 -1.566 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c34209_6f3y 1 . 7 . 913 . 1 1 2 ARG HG3 H 6.089 4.335 -2.342 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c34209_6f3y 1 . 7 . 914 . 1 1 2 ARG HH11 H 5.086 3.610 -4.032 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c34209_6f3y 1 . 7 . 915 . 1 1 2 ARG HH12 H 5.833 3.419 -5.583 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c34209_6f3y 1 . 7 . 916 . 1 1 2 ARG HH21 H 6.057 6.850 -6.218 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c34209_6f3y 1 . 7 . 917 . 1 1 2 ARG HH22 H 6.386 5.263 -6.826 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c34209_6f3y 1 . 7 . 918 . 1 1 2 ARG N N 3.412 2.623 -1.109 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c34209_6f3y 1 . 7 . 919 . 1 1 2 ARG NE N 5.035 6.118 -4.048 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c34209_6f3y 1 . 7 . 920 . 1 1 2 ARG NH1 N 5.474 4.011 -4.861 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c34209_6f3y 1 . 7 . 921 . 1 1 2 ARG NH2 N 6.027 5.857 -6.107 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c34209_6f3y 1 . 7 . 922 . 1 1 2 ARG O O 4.085 2.030 1.478 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c34209_6f3y 1 . 7 . 923 . 1 1 3 PRO C C 6.331 2.697 3.575 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34209_6f3y 1 . 7 . 924 . 1 1 3 PRO CA C 6.706 1.778 2.418 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34209_6f3y 1 . 7 . 925 . 1 1 3 PRO CB C 8.228 1.675 2.289 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34209_6f3y 1 . 7 . 926 . 1 1 3 PRO CD C 7.438 2.744 0.302 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34209_6f3y 1 . 7 . 927 . 1 1 3 PRO CG C 8.591 2.696 1.266 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34209_6f3y 1 . 7 . 928 . 1 1 3 PRO HA H 6.290 0.796 2.590 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34209_6f3y 1 . 7 . 929 . 1 1 3 PRO HB2 H 8.688 1.889 3.243 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 7 . 930 . 1 1 3 PRO HB3 H 8.499 0.681 1.967 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 7 . 931 . 1 1 3 PRO HD2 H 7.297 3.749 -0.067 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 7 . 932 . 1 1 3 PRO HD3 H 7.602 2.059 -0.517 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 7 . 933 . 1 1 3 PRO HG2 H 8.726 3.657 1.738 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 7 . 934 . 1 1 3 PRO HG3 H 9.495 2.398 0.755 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 7 . 935 . 1 1 3 PRO N N 6.291 2.319 1.120 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34209_6f3y 1 . 7 . 936 . 1 1 3 PRO O O 5.953 3.853 3.385 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34209_6f3y 1 . 7 . 937 . 1 1 4 PRO C C 7.124 4.039 6.297 . . . 1.0 . . . . . . . . . . . . A . 4 PRO C . . . . . . . . . c34209_6f3y 1 . 7 . 938 . 1 1 4 PRO CA C 6.114 2.931 6.019 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CA . . . . . . . . . c34209_6f3y 1 . 7 . 939 . 1 1 4 PRO CB C 6.166 1.871 7.123 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CB . . . . . . . . . c34209_6f3y 1 . 7 . 940 . 1 1 4 PRO CD C 6.881 0.802 5.108 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CD . . . . . . . . . c34209_6f3y 1 . 7 . 941 . 1 1 4 PRO CG C 7.083 0.822 6.598 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CG . . . . . . . . . c34209_6f3y 1 . 7 . 942 . 1 1 4 PRO HA H 5.122 3.354 5.970 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HA . . . . . . . . . c34209_6f3y 1 . 7 . 943 . 1 1 4 PRO HB2 H 6.548 2.314 8.032 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 7 . 944 . 1 1 4 PRO HB3 H 5.175 1.479 7.296 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 7 . 945 . 1 1 4 PRO HD2 H 7.810 0.578 4.604 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 7 . 946 . 1 1 4 PRO HD3 H 6.121 0.084 4.839 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 7 . 947 . 1 1 4 PRO HG2 H 8.105 1.076 6.834 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 7 . 948 . 1 1 4 PRO HG3 H 6.825 -0.137 7.023 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 7 . 949 . 1 1 4 PRO N N 6.437 2.174 4.806 . . . 1.0 . . . . . . . . . . . . A . 4 PRO N . . . . . . . . . c34209_6f3y 1 . 7 . 950 . 1 1 4 PRO O O 8.332 3.807 6.289 . . . 1.0 . . . . . . . . . . . . A . 4 PRO O . . . . . . . . . c34209_6f3y 1 . 7 . 951 . 1 1 5 GLY C C 7.673 7.275 5.615 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . c34209_6f3y 1 . 7 . 952 . 1 1 5 GLY CA C 7.493 6.371 6.819 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . c34209_6f3y 1 . 7 . 953 . 1 1 5 GLY H H 5.649 5.371 6.534 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . c34209_6f3y 1 . 7 . 954 . 1 1 5 GLY HA2 H 7.073 6.947 7.629 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . c34209_6f3y 1 . 7 . 955 . 1 1 5 GLY HA3 H 8.461 5.996 7.120 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . c34209_6f3y 1 . 7 . 956 . 1 1 5 GLY N N 6.621 5.245 6.542 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . c34209_6f3y 1 . 7 . 957 . 1 1 5 GLY O O 8.061 8.435 5.754 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . c34209_6f3y 1 . 7 . 958 . 1 1 6 PHE C C 6.272 8.330 2.926 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34209_6f3y 1 . 7 . 959 . 1 1 6 PHE CA C 7.529 7.509 3.197 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34209_6f3y 1 . 7 . 960 . 1 1 6 PHE CB C 7.804 6.573 2.018 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34209_6f3y 1 . 7 . 961 . 1 1 6 PHE CD1 C 10.289 6.657 2.356 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34209_6f3y 1 . 7 . 962 . 1 1 6 PHE CD2 C 9.444 6.772 0.130 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34209_6f3y 1 . 7 . 963 . 1 1 6 PHE CE1 C 11.581 6.745 1.875 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34209_6f3y 1 . 7 . 964 . 1 1 6 PHE CE2 C 10.734 6.860 -0.358 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34209_6f3y 1 . 7 . 965 . 1 1 6 PHE CG C 9.207 6.669 1.491 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34209_6f3y 1 . 7 . 966 . 1 1 6 PHE CZ C 11.804 6.848 0.516 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34209_6f3y 1 . 7 . 967 . 1 1 6 PHE H H 7.088 5.812 4.384 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34209_6f3y 1 . 7 . 968 . 1 1 6 PHE HA H 8.365 8.180 3.315 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34209_6f3y 1 . 7 . 969 . 1 1 6 PHE HB2 H 7.637 5.553 2.330 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34209_6f3y 1 . 7 . 970 . 1 1 6 PHE HB3 H 7.128 6.813 1.212 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34209_6f3y 1 . 7 . 971 . 1 1 6 PHE HD1 H 10.115 6.577 3.421 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34209_6f3y 1 . 7 . 972 . 1 1 6 PHE HD2 H 8.609 6.783 -0.555 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34209_6f3y 1 . 7 . 973 . 1 1 6 PHE HE1 H 12.415 6.735 2.561 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34209_6f3y 1 . 7 . 974 . 1 1 6 PHE HE2 H 10.906 6.941 -1.421 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34209_6f3y 1 . 7 . 975 . 1 1 6 PHE HZ H 12.813 6.916 0.137 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34209_6f3y 1 . 7 . 976 . 1 1 6 PHE N N 7.393 6.743 4.430 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34209_6f3y 1 . 7 . 977 . 1 1 6 PHE O O 5.153 7.834 3.056 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34209_6f3y 1 . 7 . 978 . 1 1 7 SER C C 5.489 11.103 0.876 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c34209_6f3y 1 . 7 . 979 . 1 1 7 SER CA C 5.349 10.483 2.263 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c34209_6f3y 1 . 7 . 980 . 1 1 7 SER CB C 5.266 11.585 3.321 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c34209_6f3y 1 . 7 . 981 . 1 1 7 SER H H 7.382 9.927 2.462 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c34209_6f3y 1 . 7 . 982 . 1 1 7 SER HA H 4.441 9.899 2.293 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c34209_6f3y 1 . 7 . 983 . 1 1 7 SER HB2 H 5.164 12.542 2.833 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c34209_6f3y 1 . 7 . 984 . 1 1 7 SER HB3 H 4.408 11.410 3.953 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c34209_6f3y 1 . 7 . 985 . 1 1 7 SER HG H 6.263 11.132 4.946 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c34209_6f3y 1 . 7 . 986 . 1 1 7 SER N N 6.466 9.590 2.548 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c34209_6f3y 1 . 7 . 987 . 1 1 7 SER O O 6.572 11.137 0.290 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c34209_6f3y 1 . 7 . 988 . 1 1 7 SER OG O 6.431 11.606 4.128 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c34209_6f3y 1 . 7 . 989 . 1 1 8 PRO C C 5.067 13.573 -1.008 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c34209_6f3y 1 . 7 . 990 . 1 1 8 PRO CA C 4.339 12.233 -0.987 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c34209_6f3y 1 . 7 . 991 . 1 1 8 PRO CB C 2.845 12.432 -1.253 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c34209_6f3y 1 . 7 . 992 . 1 1 8 PRO CD C 3.043 11.598 0.979 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c34209_6f3y 1 . 7 . 993 . 1 1 8 PRO CG C 2.226 12.505 0.100 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c34209_6f3y 1 . 7 . 994 . 1 1 8 PRO HA H 4.758 11.585 -1.743 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c34209_6f3y 1 . 7 . 995 . 1 1 8 PRO HB2 H 2.694 13.347 -1.807 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 7 . 996 . 1 1 8 PRO HB3 H 2.462 11.595 -1.817 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 7 . 997 . 1 1 8 PRO HD2 H 3.098 11.994 1.982 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 7 . 998 . 1 1 8 PRO HD3 H 2.624 10.603 0.987 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 7 . 999 . 1 1 8 PRO HG2 H 2.265 13.519 0.468 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 7 . 1000 . 1 1 8 PRO HG3 H 1.203 12.160 0.055 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 7 . 1001 . 1 1 8 PRO N N 4.368 11.605 0.337 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c34209_6f3y 1 . 7 . 1002 . 1 1 8 PRO O O 5.172 14.250 0.015 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c34209_6f3y 1 . 7 . 1003 . 1 1 9 PHE C C 5.637 16.078 -3.411 . . . 1.0 . . . . . . . . . . . . A . 9 PHE C . . . . . . . . . c34209_6f3y 1 . 7 . 1004 . 1 1 9 PHE CA C 6.285 15.211 -2.335 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CA . . . . . . . . . c34209_6f3y 1 . 7 . 1005 . 1 1 9 PHE CB C 7.750 14.947 -2.689 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CB . . . . . . . . . c34209_6f3y 1 . 7 . 1006 . 1 1 9 PHE CD1 C 9.381 13.371 -1.617 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD1 . . . . . . . . . c34209_6f3y 1 . 7 . 1007 . 1 1 9 PHE CD2 C 8.552 15.196 -0.325 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD2 . . . . . . . . . c34209_6f3y 1 . 7 . 1008 . 1 1 9 PHE CE1 C 10.145 12.953 -0.543 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE1 . . . . . . . . . c34209_6f3y 1 . 7 . 1009 . 1 1 9 PHE CE2 C 9.313 14.783 0.752 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE2 . . . . . . . . . c34209_6f3y 1 . 7 . 1010 . 1 1 9 PHE CG C 8.578 14.496 -1.520 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CG . . . . . . . . . c34209_6f3y 1 . 7 . 1011 . 1 1 9 PHE CZ C 10.110 13.660 0.643 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CZ . . . . . . . . . c34209_6f3y 1 . 7 . 1012 . 1 1 9 PHE H H 5.450 13.368 -2.960 . . . 1.0 . . . . . . . . . . . . A . 9 PHE H . . . . . . . . . c34209_6f3y 1 . 7 . 1013 . 1 1 9 PHE HA H 6.240 15.735 -1.392 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HA . . . . . . . . . c34209_6f3y 1 . 7 . 1014 . 1 1 9 PHE HB2 H 7.797 14.178 -3.445 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB2 . . . . . . . . . c34209_6f3y 1 . 7 . 1015 . 1 1 9 PHE HB3 H 8.187 15.854 -3.077 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB3 . . . . . . . . . c34209_6f3y 1 . 7 . 1016 . 1 1 9 PHE HD1 H 9.409 12.817 -2.545 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD1 . . . . . . . . . c34209_6f3y 1 . 7 . 1017 . 1 1 9 PHE HD2 H 7.929 16.074 -0.238 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD2 . . . . . . . . . c34209_6f3y 1 . 7 . 1018 . 1 1 9 PHE HE1 H 10.766 12.074 -0.632 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE1 . . . . . . . . . c34209_6f3y 1 . 7 . 1019 . 1 1 9 PHE HE2 H 9.284 15.337 1.679 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE2 . . . . . . . . . c34209_6f3y 1 . 7 . 1020 . 1 1 9 PHE HZ H 10.706 13.335 1.483 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HZ . . . . . . . . . c34209_6f3y 1 . 7 . 1021 . 1 1 9 PHE N N 5.567 13.951 -2.180 . . . 1.0 . . . . . . . . . . . . A . 9 PHE N . . . . . . . . . c34209_6f3y 1 . 7 . 1022 . 1 1 9 PHE O O 5.955 17.259 -3.544 . . . 1.0 . . . . . . . . . . . . A . 9 PHE O . . . . . . . . . c34209_6f3y 1 . 8 . 1023 . 1 1 1 LYS C C 2.528 1.047 -0.652 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c34209_6f3y 1 . 8 . 1024 . 1 1 1 LYS CA C 1.020 1.118 -0.871 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c34209_6f3y 1 . 8 . 1025 . 1 1 1 LYS CB C 0.660 0.497 -2.223 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c34209_6f3y 1 . 8 . 1026 . 1 1 1 LYS CD C 1.976 0.587 -4.361 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c34209_6f3y 1 . 8 . 1027 . 1 1 1 LYS CE C 2.564 1.501 -5.425 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c34209_6f3y 1 . 8 . 1028 . 1 1 1 LYS CG C 1.067 1.350 -3.411 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c34209_6f3y 1 . 8 . 1029 . 1 1 1 LYS H1 H 1.173 3.225 -1.012 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c34209_6f3y 1 . 8 . 1030 . 1 1 1 LYS HA H 0.528 0.562 -0.087 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c34209_6f3y 1 . 8 . 1031 . 1 1 1 LYS HB2 H 1.152 -0.461 -2.308 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c34209_6f3y 1 . 8 . 1032 . 1 1 1 LYS HB3 H -0.409 0.347 -2.263 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c34209_6f3y 1 . 8 . 1033 . 1 1 1 LYS HD2 H 2.783 0.146 -3.795 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c34209_6f3y 1 . 8 . 1034 . 1 1 1 LYS HD3 H 1.404 -0.193 -4.844 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c34209_6f3y 1 . 8 . 1035 . 1 1 1 LYS HE2 H 2.221 2.508 -5.245 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c34209_6f3y 1 . 8 . 1036 . 1 1 1 LYS HE3 H 3.641 1.469 -5.353 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c34209_6f3y 1 . 8 . 1037 . 1 1 1 LYS HG2 H 0.180 1.654 -3.946 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c34209_6f3y 1 . 8 . 1038 . 1 1 1 LYS HG3 H 1.590 2.225 -3.052 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c34209_6f3y 1 . 8 . 1039 . 1 1 1 LYS HZ1 H 1.988 1.928 -7.387 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c34209_6f3y 1 . 8 . 1040 . 1 1 1 LYS HZ2 H 1.283 0.526 -6.756 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c34209_6f3y 1 . 8 . 1041 . 1 1 1 LYS HZ3 H 2.906 0.515 -7.235 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c34209_6f3y 1 . 8 . 1042 . 1 1 1 LYS N N 0.549 2.496 -0.806 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c34209_6f3y 1 . 8 . 1043 . 1 1 1 LYS NZ N 2.157 1.088 -6.797 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c34209_6f3y 1 . 8 . 1044 . 1 1 1 LYS O O 3.226 0.282 -1.318 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c34209_6f3y 1 . 8 . 1045 . 1 1 2 ARG C C 4.702 1.467 2.039 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c34209_6f3y 1 . 8 . 1046 . 1 1 2 ARG CA C 4.449 1.877 0.591 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c34209_6f3y 1 . 8 . 1047 . 1 1 2 ARG CB C 5.019 3.273 0.337 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c34209_6f3y 1 . 8 . 1048 . 1 1 2 ARG CD C 5.639 4.882 -1.491 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c34209_6f3y 1 . 8 . 1049 . 1 1 2 ARG CG C 5.654 3.432 -1.035 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c34209_6f3y 1 . 8 . 1050 . 1 1 2 ARG CZ C 4.355 6.314 -3.023 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c34209_6f3y 1 . 8 . 1051 . 1 1 2 ARG H H 2.417 2.436 0.782 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c34209_6f3y 1 . 8 . 1052 . 1 1 2 ARG HA H 4.942 1.172 -0.062 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c34209_6f3y 1 . 8 . 1053 . 1 1 2 ARG HB2 H 4.223 3.997 0.427 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c34209_6f3y 1 . 8 . 1054 . 1 1 2 ARG HB3 H 5.771 3.483 1.084 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c34209_6f3y 1 . 8 . 1055 . 1 1 2 ARG HD2 H 5.386 5.508 -0.649 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c34209_6f3y 1 . 8 . 1056 . 1 1 2 ARG HD3 H 6.623 5.143 -1.850 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c34209_6f3y 1 . 8 . 1057 . 1 1 2 ARG HE H 4.229 4.325 -2.948 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c34209_6f3y 1 . 8 . 1058 . 1 1 2 ARG HG2 H 6.678 3.091 -0.989 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c34209_6f3y 1 . 8 . 1059 . 1 1 2 ARG HG3 H 5.105 2.833 -1.746 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c34209_6f3y 1 . 8 . 1060 . 1 1 2 ARG HH11 H 5.607 7.303 -1.783 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c34209_6f3y 1 . 8 . 1061 . 1 1 2 ARG HH12 H 4.697 8.300 -2.868 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c34209_6f3y 1 . 8 . 1062 . 1 1 2 ARG HH21 H 3.025 5.628 -4.381 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c34209_6f3y 1 . 8 . 1063 . 1 1 2 ARG HH22 H 3.228 7.347 -4.345 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c34209_6f3y 1 . 8 . 1064 . 1 1 2 ARG N N 3.024 1.849 0.285 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c34209_6f3y 1 . 8 . 1065 . 1 1 2 ARG NE N 4.668 5.110 -2.559 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c34209_6f3y 1 . 8 . 1066 . 1 1 2 ARG NH1 N 4.933 7.395 -2.516 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c34209_6f3y 1 . 8 . 1067 . 1 1 2 ARG NH2 N 3.463 6.440 -3.997 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c34209_6f3y 1 . 8 . 1068 . 1 1 2 ARG O O 3.809 1.505 2.886 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c34209_6f3y 1 . 8 . 1069 . 1 1 3 PRO C C 6.386 1.803 4.663 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34209_6f3y 1 . 8 . 1070 . 1 1 3 PRO CA C 6.348 0.641 3.676 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34209_6f3y 1 . 8 . 1071 . 1 1 3 PRO CB C 7.753 0.072 3.466 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34209_6f3y 1 . 8 . 1072 . 1 1 3 PRO CD C 7.062 0.995 1.371 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34209_6f3y 1 . 8 . 1073 . 1 1 3 PRO CG C 8.262 0.762 2.247 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34209_6f3y 1 . 8 . 1074 . 1 1 3 PRO HA H 5.698 -0.133 4.058 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34209_6f3y 1 . 8 . 1075 . 1 1 3 PRO HB2 H 8.366 0.291 4.329 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 8 . 1076 . 1 1 3 PRO HB3 H 7.695 -0.996 3.319 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 8 . 1077 . 1 1 3 PRO HD2 H 7.165 1.924 0.830 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 8 . 1078 . 1 1 3 PRO HD3 H 6.929 0.170 0.687 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 8 . 1079 . 1 1 3 PRO HG2 H 8.716 1.703 2.520 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 8 . 1080 . 1 1 3 PRO HG3 H 8.978 0.131 1.741 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 8 . 1081 . 1 1 3 PRO N N 5.948 1.065 2.331 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34209_6f3y 1 . 8 . 1082 . 1 1 3 PRO O O 6.326 2.973 4.284 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34209_6f3y 1 . 8 . 1083 . 1 1 4 PRO C C 7.842 3.267 7.023 . . . 1.0 . . . . . . . . . . . . A . 4 PRO C . . . . . . . . . c34209_6f3y 1 . 8 . 1084 . 1 1 4 PRO CA C 6.537 2.479 7.028 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CA . . . . . . . . . c34209_6f3y 1 . 8 . 1085 . 1 1 4 PRO CB C 6.422 1.643 8.305 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CB . . . . . . . . . c34209_6f3y 1 . 8 . 1086 . 1 1 4 PRO CD C 6.563 0.102 6.483 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CD . . . . . . . . . c34209_6f3y 1 . 8 . 1087 . 1 1 4 PRO CG C 6.940 0.299 7.926 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CG . . . . . . . . . c34209_6f3y 1 . 8 . 1088 . 1 1 4 PRO HA H 5.704 3.164 6.968 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HA . . . . . . . . . c34209_6f3y 1 . 8 . 1089 . 1 1 4 PRO HB2 H 7.019 2.091 9.087 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 8 . 1090 . 1 1 4 PRO HB3 H 5.389 1.595 8.616 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 8 . 1091 . 1 1 4 PRO HD2 H 7.325 -0.466 5.969 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 8 . 1092 . 1 1 4 PRO HD3 H 5.606 -0.392 6.407 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 8 . 1093 . 1 1 4 PRO HG2 H 8.013 0.273 8.041 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 8 . 1094 . 1 1 4 PRO HG3 H 6.477 -0.459 8.540 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 8 . 1095 . 1 1 4 PRO N N 6.488 1.476 5.960 . . . 1.0 . . . . . . . . . . . . A . 4 PRO N . . . . . . . . . c34209_6f3y 1 . 8 . 1096 . 1 1 4 PRO O O 8.909 2.718 6.751 . . . 1.0 . . . . . . . . . . . . A . 4 PRO O . . . . . . . . . c34209_6f3y 1 . 8 . 1097 . 1 1 5 GLY C C 9.031 6.295 6.131 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . c34209_6f3y 1 . 8 . 1098 . 1 1 5 GLY CA C 8.931 5.401 7.351 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . c34209_6f3y 1 . 8 . 1099 . 1 1 5 GLY H H 6.872 4.942 7.534 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . c34209_6f3y 1 . 8 . 1100 . 1 1 5 GLY HA2 H 8.901 6.019 8.236 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . c34209_6f3y 1 . 8 . 1101 . 1 1 5 GLY HA3 H 9.808 4.771 7.394 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . c34209_6f3y 1 . 8 . 1102 . 1 1 5 GLY N N 7.750 4.558 7.326 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . c34209_6f3y 1 . 8 . 1103 . 1 1 5 GLY O O 9.705 7.326 6.162 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . c34209_6f3y 1 . 8 . 1104 . 1 1 6 PHE C C 7.576 7.961 3.968 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34209_6f3y 1 . 8 . 1105 . 1 1 6 PHE CA C 8.380 6.673 3.817 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34209_6f3y 1 . 8 . 1106 . 1 1 6 PHE CB C 7.818 5.841 2.662 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34209_6f3y 1 . 8 . 1107 . 1 1 6 PHE CD1 C 9.586 5.736 0.884 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34209_6f3y 1 . 8 . 1108 . 1 1 6 PHE CD2 C 7.664 7.092 0.493 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34209_6f3y 1 . 8 . 1109 . 1 1 6 PHE CE1 C 10.093 6.093 -0.351 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34209_6f3y 1 . 8 . 1110 . 1 1 6 PHE CE2 C 8.166 7.452 -0.743 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34209_6f3y 1 . 8 . 1111 . 1 1 6 PHE CG C 8.367 6.231 1.320 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34209_6f3y 1 . 8 . 1112 . 1 1 6 PHE CZ C 9.383 6.953 -1.165 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34209_6f3y 1 . 8 . 1113 . 1 1 6 PHE H H 7.843 5.070 5.091 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34209_6f3y 1 . 8 . 1114 . 1 1 6 PHE HA H 9.406 6.926 3.601 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34209_6f3y 1 . 8 . 1115 . 1 1 6 PHE HB2 H 8.057 4.801 2.828 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34209_6f3y 1 . 8 . 1116 . 1 1 6 PHE HB3 H 6.746 5.959 2.631 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34209_6f3y 1 . 8 . 1117 . 1 1 6 PHE HD1 H 10.143 5.063 1.521 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34209_6f3y 1 . 8 . 1118 . 1 1 6 PHE HD2 H 6.713 7.485 0.822 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34209_6f3y 1 . 8 . 1119 . 1 1 6 PHE HE1 H 11.045 5.700 -0.678 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34209_6f3y 1 . 8 . 1120 . 1 1 6 PHE HE2 H 7.609 8.125 -1.378 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34209_6f3y 1 . 8 . 1121 . 1 1 6 PHE HZ H 9.777 7.232 -2.131 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34209_6f3y 1 . 8 . 1122 . 1 1 6 PHE N N 8.362 5.901 5.054 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34209_6f3y 1 . 8 . 1123 . 1 1 6 PHE O O 6.541 7.985 4.633 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34209_6f3y 1 . 8 . 1124 . 1 1 7 SER C C 6.718 10.657 2.086 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c34209_6f3y 1 . 8 . 1125 . 1 1 7 SER CA C 7.392 10.324 3.414 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c34209_6f3y 1 . 8 . 1126 . 1 1 7 SER CB C 8.393 11.422 3.780 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c34209_6f3y 1 . 8 . 1127 . 1 1 7 SER H H 8.892 8.948 2.831 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c34209_6f3y 1 . 8 . 1128 . 1 1 7 SER HA H 6.637 10.266 4.183 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c34209_6f3y 1 . 8 . 1129 . 1 1 7 SER HB2 H 8.622 12.005 2.901 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c34209_6f3y 1 . 8 . 1130 . 1 1 7 SER HB3 H 7.960 12.063 4.534 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c34209_6f3y 1 . 8 . 1131 . 1 1 7 SER HG H 10.312 11.494 4.165 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c34209_6f3y 1 . 8 . 1132 . 1 1 7 SER N N 8.062 9.031 3.346 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c34209_6f3y 1 . 8 . 1133 . 1 1 7 SER O O 7.043 10.099 1.038 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c34209_6f3y 1 . 8 . 1134 . 1 1 7 SER OG O 9.595 10.868 4.286 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c34209_6f3y 1 . 8 . 1135 . 1 1 8 PRO C C 5.880 12.821 -0.024 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c34209_6f3y 1 . 8 . 1136 . 1 1 8 PRO CA C 5.013 12.020 0.941 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c34209_6f3y 1 . 8 . 1137 . 1 1 8 PRO CB C 3.899 12.899 1.515 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c34209_6f3y 1 . 8 . 1138 . 1 1 8 PRO CD C 5.315 12.296 3.345 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c34209_6f3y 1 . 8 . 1139 . 1 1 8 PRO CG C 4.440 13.397 2.811 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c34209_6f3y 1 . 8 . 1140 . 1 1 8 PRO HA H 4.578 11.179 0.419 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c34209_6f3y 1 . 8 . 1141 . 1 1 8 PRO HB2 H 3.692 13.712 0.834 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 8 . 1142 . 1 1 8 PRO HB3 H 3.008 12.307 1.661 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 8 . 1143 . 1 1 8 PRO HD2 H 6.158 12.710 3.878 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 8 . 1144 . 1 1 8 PRO HD3 H 4.745 11.640 3.987 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 8 . 1145 . 1 1 8 PRO HG2 H 5.021 14.291 2.647 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 8 . 1146 . 1 1 8 PRO HG3 H 3.628 13.595 3.495 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 8 . 1147 . 1 1 8 PRO N N 5.754 11.590 2.131 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c34209_6f3y 1 . 8 . 1148 . 1 1 8 PRO O O 6.699 13.640 0.395 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c34209_6f3y 1 . 8 . 1149 . 1 1 9 PHE C C 7.960 13.094 -2.123 . . . 1.0 . . . . . . . . . . . . A . 9 PHE C . . . . . . . . . c34209_6f3y 1 . 8 . 1150 . 1 1 9 PHE CA C 6.462 13.280 -2.342 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CA . . . . . . . . . c34209_6f3y 1 . 8 . 1151 . 1 1 9 PHE CB C 6.115 14.770 -2.340 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CB . . . . . . . . . c34209_6f3y 1 . 8 . 1152 . 1 1 9 PHE CD1 C 6.804 16.222 -4.268 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD1 . . . . . . . . . c34209_6f3y 1 . 8 . 1153 . 1 1 9 PHE CD2 C 4.775 14.983 -4.450 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD2 . . . . . . . . . c34209_6f3y 1 . 8 . 1154 . 1 1 9 PHE CE1 C 6.604 16.744 -5.531 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE1 . . . . . . . . . c34209_6f3y 1 . 8 . 1155 . 1 1 9 PHE CE2 C 4.569 15.502 -5.715 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE2 . . . . . . . . . c34209_6f3y 1 . 8 . 1156 . 1 1 9 PHE CG C 5.894 15.336 -3.714 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CG . . . . . . . . . c34209_6f3y 1 . 8 . 1157 . 1 1 9 PHE CZ C 5.484 16.385 -6.255 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CZ . . . . . . . . . c34209_6f3y 1 . 8 . 1158 . 1 1 9 PHE H H 5.028 11.916 -1.590 . . . 1.0 . . . . . . . . . . . . A . 9 PHE H . . . . . . . . . c34209_6f3y 1 . 8 . 1159 . 1 1 9 PHE HA H 6.196 12.859 -3.299 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HA . . . . . . . . . c34209_6f3y 1 . 8 . 1160 . 1 1 9 PHE HB2 H 5.211 14.921 -1.770 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB2 . . . . . . . . . c34209_6f3y 1 . 8 . 1161 . 1 1 9 PHE HB3 H 6.923 15.319 -1.880 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB3 . . . . . . . . . c34209_6f3y 1 . 8 . 1162 . 1 1 9 PHE HD1 H 7.681 16.504 -3.701 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD1 . . . . . . . . . c34209_6f3y 1 . 8 . 1163 . 1 1 9 PHE HD2 H 4.058 14.294 -4.029 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD2 . . . . . . . . . c34209_6f3y 1 . 8 . 1164 . 1 1 9 PHE HE1 H 7.321 17.434 -5.951 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE1 . . . . . . . . . c34209_6f3y 1 . 8 . 1165 . 1 1 9 PHE HE2 H 3.693 15.220 -6.279 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE2 . . . . . . . . . c34209_6f3y 1 . 8 . 1166 . 1 1 9 PHE HZ H 5.325 16.791 -7.243 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HZ . . . . . . . . . c34209_6f3y 1 . 8 . 1167 . 1 1 9 PHE N N 5.696 12.580 -1.318 . . . 1.0 . . . . . . . . . . . . A . 9 PHE N . . . . . . . . . c34209_6f3y 1 . 8 . 1168 . 1 1 9 PHE O O 8.646 12.480 -2.939 . . . 1.0 . . . . . . . . . . . . A . 9 PHE O . . . . . . . . . c34209_6f3y 1 . 9 . 1169 . 1 1 1 LYS C C 3.510 1.766 -2.204 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c34209_6f3y 1 . 9 . 1170 . 1 1 1 LYS CA C 2.070 1.693 -2.703 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c34209_6f3y 1 . 9 . 1171 . 1 1 1 LYS CB C 1.650 0.231 -2.869 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c34209_6f3y 1 . 9 . 1172 . 1 1 1 LYS CD C -0.606 0.357 -1.773 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c34209_6f3y 1 . 9 . 1173 . 1 1 1 LYS CE C -1.930 -0.390 -1.715 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c34209_6f3y 1 . 9 . 1174 . 1 1 1 LYS CG C 0.153 0.045 -3.051 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c34209_6f3y 1 . 9 . 1175 . 1 1 1 LYS H1 H 2.489 2.162 -4.725 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c34209_6f3y 1 . 9 . 1176 . 1 1 1 LYS HA H 1.426 2.163 -1.976 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c34209_6f3y 1 . 9 . 1177 . 1 1 1 LYS HB2 H 2.150 -0.179 -3.735 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c34209_6f3y 1 . 9 . 1178 . 1 1 1 LYS HB3 H 1.956 -0.321 -1.992 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c34209_6f3y 1 . 9 . 1179 . 1 1 1 LYS HD2 H -0.004 0.064 -0.925 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c34209_6f3y 1 . 9 . 1180 . 1 1 1 LYS HD3 H -0.800 1.419 -1.729 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c34209_6f3y 1 . 9 . 1181 . 1 1 1 LYS HE2 H -2.552 0.065 -0.959 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c34209_6f3y 1 . 9 . 1182 . 1 1 1 LYS HE3 H -2.415 -0.310 -2.676 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c34209_6f3y 1 . 9 . 1183 . 1 1 1 LYS HG2 H -0.190 0.707 -3.832 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c34209_6f3y 1 . 9 . 1184 . 1 1 1 LYS HG3 H -0.041 -0.980 -3.334 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c34209_6f3y 1 . 9 . 1185 . 1 1 1 LYS HZ1 H -2.609 -2.362 -1.597 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c34209_6f3y 1 . 9 . 1186 . 1 1 1 LYS HZ2 H -1.520 -1.939 -0.375 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c34209_6f3y 1 . 9 . 1187 . 1 1 1 LYS HZ3 H -0.959 -2.225 -1.945 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c34209_6f3y 1 . 9 . 1188 . 1 1 1 LYS N N 1.920 2.408 -3.965 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c34209_6f3y 1 . 9 . 1189 . 1 1 1 LYS NZ N -1.741 -1.830 -1.385 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c34209_6f3y 1 . 9 . 1190 . 1 1 1 LYS O O 4.427 1.261 -2.852 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c34209_6f3y 1 . 9 . 1191 . 1 1 2 ARG C C 5.056 1.978 0.957 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c34209_6f3y 1 . 9 . 1192 . 1 1 2 ARG CA C 5.028 2.533 -0.464 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c34209_6f3y 1 . 9 . 1193 . 1 1 2 ARG CB C 5.456 4.002 -0.458 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c34209_6f3y 1 . 9 . 1194 . 1 1 2 ARG CD C 5.528 5.037 -2.747 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c34209_6f3y 1 . 9 . 1195 . 1 1 2 ARG CG C 6.336 4.385 -1.636 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c34209_6f3y 1 . 9 . 1196 . 1 1 2 ARG CZ C 6.308 7.368 -2.814 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c34209_6f3y 1 . 9 . 1197 . 1 1 2 ARG H H 2.929 2.777 -0.580 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c34209_6f3y 1 . 9 . 1198 . 1 1 2 ARG HA H 5.719 1.969 -1.073 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c34209_6f3y 1 . 9 . 1199 . 1 1 2 ARG HB2 H 4.572 4.623 -0.481 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c34209_6f3y 1 . 9 . 1200 . 1 1 2 ARG HB3 H 6.002 4.201 0.452 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c34209_6f3y 1 . 9 . 1201 . 1 1 2 ARG HD2 H 6.036 4.876 -3.686 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c34209_6f3y 1 . 9 . 1202 . 1 1 2 ARG HD3 H 4.552 4.576 -2.782 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c34209_6f3y 1 . 9 . 1203 . 1 1 2 ARG HE H 4.513 6.785 -2.168 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c34209_6f3y 1 . 9 . 1204 . 1 1 2 ARG HG2 H 7.090 5.081 -1.299 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c34209_6f3y 1 . 9 . 1205 . 1 1 2 ARG HG3 H 6.811 3.496 -2.023 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c34209_6f3y 1 . 9 . 1206 . 1 1 2 ARG HH11 H 7.642 6.005 -3.480 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c34209_6f3y 1 . 9 . 1207 . 1 1 2 ARG HH12 H 8.180 7.651 -3.522 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c34209_6f3y 1 . 9 . 1208 . 1 1 2 ARG HH21 H 5.209 8.956 -2.219 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c34209_6f3y 1 . 9 . 1209 . 1 1 2 ARG HH22 H 6.795 9.329 -2.803 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c34209_6f3y 1 . 9 . 1210 . 1 1 2 ARG N N 3.700 2.395 -1.050 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c34209_6f3y 1 . 9 . 1211 . 1 1 2 ARG NE N 5.366 6.473 -2.536 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c34209_6f3y 1 . 9 . 1212 . 1 1 2 ARG NH1 N 7.472 6.976 -3.312 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c34209_6f3y 1 . 9 . 1213 . 1 1 2 ARG NH2 N 6.086 8.657 -2.594 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c34209_6f3y 1 . 9 . 1214 . 1 1 2 ARG O O 4.024 1.819 1.608 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c34209_6f3y 1 . 9 . 1215 . 1 1 3 PRO C C 6.165 2.162 3.884 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34209_6f3y 1 . 9 . 1216 . 1 1 3 PRO CA C 6.458 1.133 2.798 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34209_6f3y 1 . 9 . 1217 . 1 1 3 PRO CB C 7.939 0.743 2.816 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34209_6f3y 1 . 9 . 1218 . 1 1 3 PRO CD C 7.540 1.839 0.729 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34209_6f3y 1 . 9 . 1219 . 1 1 3 PRO CG C 8.575 1.626 1.799 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34209_6f3y 1 . 9 . 1220 . 1 1 3 PRO HA H 5.851 0.255 2.963 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34209_6f3y 1 . 9 . 1221 . 1 1 3 PRO HB2 H 8.347 0.916 3.802 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 9 . 1222 . 1 1 3 PRO HB3 H 8.044 -0.299 2.555 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 9 . 1223 . 1 1 3 PRO HD2 H 7.624 2.833 0.316 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 9 . 1224 . 1 1 3 PRO HD3 H 7.642 1.095 -0.047 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 9 . 1225 . 1 1 3 PRO HG2 H 8.848 2.568 2.250 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 9 . 1226 . 1 1 3 PRO HG3 H 9.447 1.140 1.386 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 9 . 1227 . 1 1 3 PRO N N 6.266 1.675 1.450 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34209_6f3y 1 . 9 . 1228 . 1 1 3 PRO O O 6.031 3.357 3.620 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34209_6f3y 1 . 9 . 1229 . 1 1 4 PRO C C 6.961 3.469 6.622 . . . 1.0 . . . . . . . . . . . . A . 4 PRO C . . . . . . . . . c34209_6f3y 1 . 9 . 1230 . 1 1 4 PRO CA C 5.787 2.555 6.287 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CA . . . . . . . . . c34209_6f3y 1 . 9 . 1231 . 1 1 4 PRO CB C 5.542 1.561 7.425 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CB . . . . . . . . . c34209_6f3y 1 . 9 . 1232 . 1 1 4 PRO CD C 6.213 0.278 5.524 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CD . . . . . . . . . c34209_6f3y 1 . 9 . 1233 . 1 1 4 PRO CG C 6.286 0.335 7.024 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CG . . . . . . . . . c34209_6f3y 1 . 9 . 1234 . 1 1 4 PRO HA H 4.900 3.152 6.131 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HA . . . . . . . . . c34209_6f3y 1 . 9 . 1235 . 1 1 4 PRO HB2 H 5.921 1.970 8.351 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 9 . 1236 . 1 1 4 PRO HB3 H 4.484 1.368 7.518 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 9 . 1237 . 1 1 4 PRO HD2 H 7.122 -0.140 5.117 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 9 . 1238 . 1 1 4 PRO HD3 H 5.357 -0.300 5.209 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 9 . 1239 . 1 1 4 PRO HG2 H 7.313 0.406 7.348 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 9 . 1240 . 1 1 4 PRO HG3 H 5.816 -0.537 7.455 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 9 . 1241 . 1 1 4 PRO N N 6.064 1.691 5.136 . . . 1.0 . . . . . . . . . . . . A . 4 PRO N . . . . . . . . . c34209_6f3y 1 . 9 . 1242 . 1 1 4 PRO O O 8.106 3.025 6.690 . . . 1.0 . . . . . . . . . . . . A . 4 PRO O . . . . . . . . . c34209_6f3y 1 . 9 . 1243 . 1 1 5 GLY C C 8.073 6.589 5.979 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . c34209_6f3y 1 . 9 . 1244 . 1 1 5 GLY CA C 7.709 5.705 7.156 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . c34209_6f3y 1 . 9 . 1245 . 1 1 5 GLY H H 5.736 5.046 6.763 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . c34209_6f3y 1 . 9 . 1246 . 1 1 5 GLY HA2 H 7.369 6.329 7.970 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . c34209_6f3y 1 . 9 . 1247 . 1 1 5 GLY HA3 H 8.590 5.167 7.472 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . c34209_6f3y 1 . 9 . 1248 . 1 1 5 GLY N N 6.667 4.749 6.831 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . c34209_6f3y 1 . 9 . 1249 . 1 1 5 GLY O O 8.600 7.688 6.158 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . c34209_6f3y 1 . 9 . 1250 . 1 1 6 PHE C C 7.031 7.923 3.298 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34209_6f3y 1 . 9 . 1251 . 1 1 6 PHE CA C 8.097 6.863 3.561 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34209_6f3y 1 . 9 . 1252 . 1 1 6 PHE CB C 8.200 5.919 2.361 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34209_6f3y 1 . 9 . 1253 . 1 1 6 PHE CD1 C 9.941 6.096 0.562 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34209_6f3y 1 . 9 . 1254 . 1 1 6 PHE CD2 C 10.587 5.216 2.682 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34209_6f3y 1 . 9 . 1255 . 1 1 6 PHE CE1 C 11.232 5.933 0.097 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34209_6f3y 1 . 9 . 1256 . 1 1 6 PHE CE2 C 11.880 5.051 2.223 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34209_6f3y 1 . 9 . 1257 . 1 1 6 PHE CG C 9.604 5.740 1.858 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34209_6f3y 1 . 9 . 1258 . 1 1 6 PHE CZ C 12.203 5.409 0.928 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34209_6f3y 1 . 9 . 1259 . 1 1 6 PHE H H 7.373 5.227 4.694 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34209_6f3y 1 . 9 . 1260 . 1 1 6 PHE HA H 9.047 7.353 3.706 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34209_6f3y 1 . 9 . 1261 . 1 1 6 PHE HB2 H 7.823 4.948 2.642 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34209_6f3y 1 . 9 . 1262 . 1 1 6 PHE HB3 H 7.604 6.312 1.551 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34209_6f3y 1 . 9 . 1263 . 1 1 6 PHE HD1 H 9.182 6.506 -0.089 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34209_6f3y 1 . 9 . 1264 . 1 1 6 PHE HD2 H 10.337 4.935 3.695 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34209_6f3y 1 . 9 . 1265 . 1 1 6 PHE HE1 H 11.481 6.213 -0.916 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34209_6f3y 1 . 9 . 1266 . 1 1 6 PHE HE2 H 12.637 4.641 2.874 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34209_6f3y 1 . 9 . 1267 . 1 1 6 PHE HZ H 13.212 5.281 0.567 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34209_6f3y 1 . 9 . 1268 . 1 1 6 PHE N N 7.793 6.110 4.772 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34209_6f3y 1 . 9 . 1269 . 1 1 6 PHE O O 5.835 7.658 3.413 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34209_6f3y 1 . 9 . 1270 . 1 1 7 SER C C 6.766 10.764 1.258 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c34209_6f3y 1 . 9 . 1271 . 1 1 7 SER CA C 6.561 10.228 2.671 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c34209_6f3y 1 . 9 . 1272 . 1 1 7 SER CB C 6.763 11.351 3.690 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c34209_6f3y 1 . 9 . 1273 . 1 1 7 SER H H 8.441 9.275 2.872 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c34209_6f3y 1 . 9 . 1274 . 1 1 7 SER HA H 5.553 9.852 2.759 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c34209_6f3y 1 . 9 . 1275 . 1 1 7 SER HB2 H 6.885 12.289 3.168 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c34209_6f3y 1 . 9 . 1276 . 1 1 7 SER HB3 H 5.899 11.408 4.335 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c34209_6f3y 1 . 9 . 1277 . 1 1 7 SER HG H 7.701 10.491 5.179 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c34209_6f3y 1 . 9 . 1278 . 1 1 7 SER N N 7.475 9.125 2.946 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c34209_6f3y 1 . 9 . 1279 . 1 1 7 SER O O 7.803 10.550 0.629 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c34209_6f3y 1 . 9 . 1280 . 1 1 7 SER OG O 7.913 11.119 4.485 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c34209_6f3y 1 . 9 . 1281 . 1 1 8 PRO C C 6.791 13.213 -0.700 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c34209_6f3y 1 . 9 . 1282 . 1 1 8 PRO CA C 5.798 12.061 -0.600 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c34209_6f3y 1 . 9 . 1283 . 1 1 8 PRO CB C 4.369 12.566 -0.815 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c34209_6f3y 1 . 9 . 1284 . 1 1 8 PRO CD C 4.488 11.773 1.437 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c34209_6f3y 1 . 9 . 1285 . 1 1 8 PRO CG C 3.842 12.807 0.558 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c34209_6f3y 1 . 9 . 1286 . 1 1 8 PRO HA H 6.035 11.317 -1.347 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c34209_6f3y 1 . 9 . 1287 . 1 1 8 PRO HB2 H 4.390 13.477 -1.397 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 9 . 1288 . 1 1 8 PRO HB3 H 3.792 11.815 -1.333 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 9 . 1289 . 1 1 8 PRO HD2 H 4.672 12.176 2.422 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 9 . 1290 . 1 1 8 PRO HD3 H 3.869 10.890 1.498 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 9 . 1291 . 1 1 8 PRO HG2 H 4.113 13.800 0.885 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 9 . 1292 . 1 1 8 PRO HG3 H 2.769 12.688 0.565 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 9 . 1293 . 1 1 8 PRO N N 5.754 11.478 0.744 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c34209_6f3y 1 . 9 . 1294 . 1 1 8 PRO O O 6.941 13.999 0.235 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c34209_6f3y 1 . 9 . 1295 . 1 1 9 PHE C C 9.595 14.261 -1.063 . . . 1.0 . . . . . . . . . . . . A . 9 PHE C . . . . . . . . . c34209_6f3y 1 . 9 . 1296 . 1 1 9 PHE CA C 8.447 14.366 -2.062 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CA . . . . . . . . . c34209_6f3y 1 . 9 . 1297 . 1 1 9 PHE CB C 7.781 15.739 -1.949 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CB . . . . . . . . . c34209_6f3y 1 . 9 . 1298 . 1 1 9 PHE CD1 C 5.320 16.157 -2.199 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD1 . . . . . . . . . c34209_6f3y 1 . 9 . 1299 . 1 1 9 PHE CD2 C 6.600 15.721 -4.163 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD2 . . . . . . . . . c34209_6f3y 1 . 9 . 1300 . 1 1 9 PHE CE1 C 4.178 16.283 -2.967 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE1 . . . . . . . . . c34209_6f3y 1 . 9 . 1301 . 1 1 9 PHE CE2 C 5.461 15.846 -4.936 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE2 . . . . . . . . . c34209_6f3y 1 . 9 . 1302 . 1 1 9 PHE CG C 6.542 15.875 -2.787 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CG . . . . . . . . . c34209_6f3y 1 . 9 . 1303 . 1 1 9 PHE CZ C 4.248 16.127 -4.337 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CZ . . . . . . . . . c34209_6f3y 1 . 9 . 1304 . 1 1 9 PHE H H 7.303 12.652 -2.549 . . . 1.0 . . . . . . . . . . . . A . 9 PHE H . . . . . . . . . c34209_6f3y 1 . 9 . 1305 . 1 1 9 PHE HA H 8.841 14.247 -3.059 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HA . . . . . . . . . c34209_6f3y 1 . 9 . 1306 . 1 1 9 PHE HB2 H 7.506 15.914 -0.920 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB2 . . . . . . . . . c34209_6f3y 1 . 9 . 1307 . 1 1 9 PHE HB3 H 8.482 16.497 -2.265 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB3 . . . . . . . . . c34209_6f3y 1 . 9 . 1308 . 1 1 9 PHE HD1 H 5.263 16.279 -1.126 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD1 . . . . . . . . . c34209_6f3y 1 . 9 . 1309 . 1 1 9 PHE HD2 H 7.547 15.500 -4.633 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD2 . . . . . . . . . c34209_6f3y 1 . 9 . 1310 . 1 1 9 PHE HE1 H 3.231 16.502 -2.495 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE1 . . . . . . . . . c34209_6f3y 1 . 9 . 1311 . 1 1 9 PHE HE2 H 5.519 15.723 -6.007 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE2 . . . . . . . . . c34209_6f3y 1 . 9 . 1312 . 1 1 9 PHE HZ H 3.357 16.226 -4.939 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HZ . . . . . . . . . c34209_6f3y 1 . 9 . 1313 . 1 1 9 PHE N N 7.467 13.309 -1.840 . . . 1.0 . . . . . . . . . . . . A . 9 PHE N . . . . . . . . . c34209_6f3y 1 . 9 . 1314 . 1 1 9 PHE O O 10.230 13.214 -0.940 . . . 1.0 . . . . . . . . . . . . A . 9 PHE O . . . . . . . . . c34209_6f3y 1 . 10 . 1315 . 1 1 1 LYS C C 3.356 2.370 -1.980 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c34209_6f3y 1 . 10 . 1316 . 1 1 1 LYS CA C 1.883 2.273 -2.364 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c34209_6f3y 1 . 10 . 1317 . 1 1 1 LYS CB C 1.613 0.939 -3.063 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c34209_6f3y 1 . 10 . 1318 . 1 1 1 LYS CD C -0.105 -0.765 -3.737 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c34209_6f3y 1 . 10 . 1319 . 1 1 1 LYS CE C -1.511 -1.216 -3.368 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c34209_6f3y 1 . 10 . 1320 . 1 1 1 LYS CG C 0.141 0.678 -3.331 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c34209_6f3y 1 . 10 . 1321 . 1 1 1 LYS H1 H 2.195 3.948 -3.620 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c34209_6f3y 1 . 10 . 1322 . 1 1 1 LYS HA H 1.285 2.327 -1.467 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c34209_6f3y 1 . 10 . 1323 . 1 1 1 LYS HB2 H 2.137 0.929 -4.008 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c34209_6f3y 1 . 10 . 1324 . 1 1 1 LYS HB3 H 1.992 0.139 -2.443 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c34209_6f3y 1 . 10 . 1325 . 1 1 1 LYS HD2 H 0.020 -0.856 -4.805 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c34209_6f3y 1 . 10 . 1326 . 1 1 1 LYS HD3 H 0.611 -1.399 -3.233 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c34209_6f3y 1 . 10 . 1327 . 1 1 1 LYS HE2 H -1.440 -2.056 -2.695 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c34209_6f3y 1 . 10 . 1328 . 1 1 1 LYS HE3 H -2.017 -0.400 -2.873 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c34209_6f3y 1 . 10 . 1329 . 1 1 1 LYS HG2 H -0.422 0.890 -2.434 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c34209_6f3y 1 . 10 . 1330 . 1 1 1 LYS HG3 H -0.191 1.329 -4.128 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c34209_6f3y 1 . 10 . 1331 . 1 1 1 LYS HZ1 H -1.904 -2.492 -4.973 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c34209_6f3y 1 . 10 . 1332 . 1 1 1 LYS HZ2 H -2.261 -0.869 -5.286 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c34209_6f3y 1 . 10 . 1333 . 1 1 1 LYS HZ3 H -3.289 -1.786 -4.304 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c34209_6f3y 1 . 10 . 1334 . 1 1 1 LYS N N 1.496 3.383 -3.227 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c34209_6f3y 1 . 10 . 1335 . 1 1 1 LYS NZ N -2.296 -1.619 -4.567 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c34209_6f3y 1 . 10 . 1336 . 1 1 1 LYS O O 4.233 1.966 -2.743 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c34209_6f3y 1 . 10 . 1337 . 1 1 2 ARG C C 5.162 2.364 1.041 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c34209_6f3y 1 . 10 . 1338 . 1 1 2 ARG CA C 4.986 3.055 -0.308 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c34209_6f3y 1 . 10 . 1339 . 1 1 2 ARG CB C 5.348 4.536 -0.186 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c34209_6f3y 1 . 10 . 1340 . 1 1 2 ARG CD C 5.853 6.471 -1.709 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c34209_6f3y 1 . 10 . 1341 . 1 1 2 ARG CG C 6.219 5.046 -1.323 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c34209_6f3y 1 . 10 . 1342 . 1 1 2 ARG CZ C 6.916 8.342 -2.898 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c34209_6f3y 1 . 10 . 1343 . 1 1 2 ARG H H 2.877 3.210 -0.230 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c34209_6f3y 1 . 10 . 1344 . 1 1 2 ARG HA H 5.645 2.590 -1.026 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c34209_6f3y 1 . 10 . 1345 . 1 1 2 ARG HB2 H 4.438 5.117 -0.171 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c34209_6f3y 1 . 10 . 1346 . 1 1 2 ARG HB3 H 5.879 4.689 0.741 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c34209_6f3y 1 . 10 . 1347 . 1 1 2 ARG HD2 H 4.869 6.468 -2.152 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c34209_6f3y 1 . 10 . 1348 . 1 1 2 ARG HD3 H 5.846 7.080 -0.817 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c34209_6f3y 1 . 10 . 1349 . 1 1 2 ARG HE H 7.379 6.418 -3.154 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c34209_6f3y 1 . 10 . 1350 . 1 1 2 ARG HG2 H 7.252 5.023 -1.010 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c34209_6f3y 1 . 10 . 1351 . 1 1 2 ARG HG3 H 6.086 4.404 -2.181 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c34209_6f3y 1 . 10 . 1352 . 1 1 2 ARG HH11 H 5.480 8.877 -1.582 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c34209_6f3y 1 . 10 . 1353 . 1 1 2 ARG HH12 H 6.238 10.186 -2.426 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c34209_6f3y 1 . 10 . 1354 . 1 1 2 ARG HH21 H 8.384 8.134 -4.273 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c34209_6f3y 1 . 10 . 1355 . 1 1 2 ARG HH22 H 7.888 9.762 -3.957 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c34209_6f3y 1 . 10 . 1356 . 1 1 2 ARG N N 3.619 2.906 -0.793 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c34209_6f3y 1 . 10 . 1357 . 1 1 2 ARG NE N 6.801 7.039 -2.664 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c34209_6f3y 1 . 10 . 1358 . 1 1 2 ARG NH1 N 6.148 9.206 -2.249 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c34209_6f3y 1 . 10 . 1359 . 1 1 2 ARG NH2 N 7.802 8.782 -3.782 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c34209_6f3y 1 . 10 . 1360 . 1 1 2 ARG O O 4.199 2.088 1.756 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c34209_6f3y 1 . 10 . 1361 . 1 1 3 PRO C C 6.514 2.317 3.871 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34209_6f3y 1 . 10 . 1362 . 1 1 3 PRO CA C 6.756 1.416 2.664 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34209_6f3y 1 . 10 . 1363 . 1 1 3 PRO CB C 8.247 1.105 2.520 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34209_6f3y 1 . 10 . 1364 . 1 1 3 PRO CD C 7.620 2.379 0.597 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34209_6f3y 1 . 10 . 1365 . 1 1 3 PRO CG C 8.753 2.116 1.550 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34209_6f3y 1 . 10 . 1366 . 1 1 3 PRO HA H 6.204 0.496 2.788 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34209_6f3y 1 . 10 . 1367 . 1 1 3 PRO HB2 H 8.732 1.201 3.482 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 10 . 1368 . 1 1 3 PRO HB3 H 8.374 0.100 2.146 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 10 . 1369 . 1 1 3 PRO HD2 H 7.624 3.411 0.282 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 10 . 1370 . 1 1 3 PRO HD3 H 7.686 1.721 -0.258 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 10 . 1371 . 1 1 3 PRO HG2 H 9.023 3.022 2.071 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 10 . 1372 . 1 1 3 PRO HG3 H 9.606 1.719 1.018 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 10 . 1373 . 1 1 3 PRO N N 6.423 2.078 1.399 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34209_6f3y 1 . 10 . 1374 . 1 1 3 PRO O O 6.304 3.524 3.743 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34209_6f3y 1 . 10 . 1375 . 1 1 4 PRO C C 7.487 3.388 6.653 . . . 1.0 . . . . . . . . . . . . A . 4 PRO C . . . . . . . . . c34209_6f3y 1 . 10 . 1376 . 1 1 4 PRO CA C 6.330 2.451 6.324 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CA . . . . . . . . . c34209_6f3y 1 . 10 . 1377 . 1 1 4 PRO CB C 6.229 1.338 7.371 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CB . . . . . . . . . c34209_6f3y 1 . 10 . 1378 . 1 1 4 PRO CD C 6.787 0.286 5.299 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CD . . . . . . . . . c34209_6f3y 1 . 10 . 1379 . 1 1 4 PRO CG C 6.988 0.198 6.786 . . . 1.0 . . . . . . . . . . . . A . 4 PRO CG . . . . . . . . . c34209_6f3y 1 . 10 . 1380 . 1 1 4 PRO HA H 5.408 3.013 6.304 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HA . . . . . . . . . c34209_6f3y 1 . 10 . 1381 . 1 1 4 PRO HB2 H 6.670 1.673 8.299 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 10 . 1382 . 1 1 4 PRO HB3 H 5.192 1.082 7.530 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 10 . 1383 . 1 1 4 PRO HD2 H 7.674 -0.042 4.778 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 10 . 1384 . 1 1 4 PRO HD3 H 5.932 -0.302 4.998 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 10 . 1385 . 1 1 4 PRO HG2 H 8.036 0.291 7.029 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 10 . 1386 . 1 1 4 PRO HG3 H 6.596 -0.735 7.162 . . . 1.0 . . . . . . . . . . . . A . 4 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 10 . 1387 . 1 1 4 PRO N N 6.543 1.720 5.071 . . . 1.0 . . . . . . . . . . . . A . 4 PRO N . . . . . . . . . c34209_6f3y 1 . 10 . 1388 . 1 1 4 PRO O O 8.647 3.072 6.393 . . . 1.0 . . . . . . . . . . . . A . 4 PRO O . . . . . . . . . c34209_6f3y 1 . 10 . 1389 . 1 1 5 GLY C C 8.402 6.549 6.502 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . c34209_6f3y 1 . 10 . 1390 . 1 1 5 GLY CA C 8.187 5.507 7.582 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . c34209_6f3y 1 . 10 . 1391 . 1 1 5 GLY H H 6.221 4.741 7.411 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . c34209_6f3y 1 . 10 . 1392 . 1 1 5 GLY HA2 H 7.897 6.005 8.495 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . c34209_6f3y 1 . 10 . 1393 . 1 1 5 GLY HA3 H 9.117 4.983 7.750 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . c34209_6f3y 1 . 10 . 1394 . 1 1 5 GLY N N 7.163 4.542 7.227 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . c34209_6f3y 1 . 10 . 1395 . 1 1 5 GLY O O 8.925 7.631 6.768 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . c34209_6f3y 1 . 10 . 1396 . 1 1 6 PHE C C 7.019 8.158 4.123 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34209_6f3y 1 . 10 . 1397 . 1 1 6 PHE CA C 8.152 7.137 4.153 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34209_6f3y 1 . 10 . 1398 . 1 1 6 PHE CB C 8.187 6.358 2.837 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34209_6f3y 1 . 10 . 1399 . 1 1 6 PHE CD1 C 9.985 6.291 1.087 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34209_6f3y 1 . 10 . 1400 . 1 1 6 PHE CD2 C 10.473 5.407 3.247 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34209_6f3y 1 . 10 . 1401 . 1 1 6 PHE CE1 C 11.262 5.974 0.665 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34209_6f3y 1 . 10 . 1402 . 1 1 6 PHE CE2 C 11.752 5.089 2.831 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34209_6f3y 1 . 10 . 1403 . 1 1 6 PHE CG C 9.576 6.012 2.381 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34209_6f3y 1 . 10 . 1404 . 1 1 6 PHE CZ C 12.146 5.371 1.538 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34209_6f3y 1 . 10 . 1405 . 1 1 6 PHE H H 7.589 5.344 5.129 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34209_6f3y 1 . 10 . 1406 . 1 1 6 PHE HA H 9.088 7.659 4.277 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34209_6f3y 1 . 10 . 1407 . 1 1 6 PHE HB2 H 7.639 5.436 2.958 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34209_6f3y 1 . 10 . 1408 . 1 1 6 PHE HB3 H 7.721 6.950 2.064 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34209_6f3y 1 . 10 . 1409 . 1 1 6 PHE HD1 H 9.293 6.762 0.403 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34209_6f3y 1 . 10 . 1410 . 1 1 6 PHE HD2 H 10.165 5.185 4.259 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34209_6f3y 1 . 10 . 1411 . 1 1 6 PHE HE1 H 11.567 6.196 -0.347 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34209_6f3y 1 . 10 . 1412 . 1 1 6 PHE HE2 H 12.441 4.617 3.515 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34209_6f3y 1 . 10 . 1413 . 1 1 6 PHE HZ H 13.145 5.124 1.210 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34209_6f3y 1 . 10 . 1414 . 1 1 6 PHE N N 7.999 6.222 5.279 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34209_6f3y 1 . 10 . 1415 . 1 1 6 PHE O O 5.856 7.816 4.338 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34209_6f3y 1 . 10 . 1416 . 1 1 7 SER C C 5.873 10.685 2.377 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c34209_6f3y 1 . 10 . 1417 . 1 1 7 SER CA C 6.380 10.485 3.802 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c34209_6f3y 1 . 10 . 1418 . 1 1 7 SER CB C 6.984 11.788 4.329 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c34209_6f3y 1 . 10 . 1419 . 1 1 7 SER H H 8.311 9.622 3.693 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c34209_6f3y 1 . 10 . 1420 . 1 1 7 SER HA H 5.550 10.202 4.431 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c34209_6f3y 1 . 10 . 1421 . 1 1 7 SER HB2 H 6.714 12.599 3.669 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c34209_6f3y 1 . 10 . 1422 . 1 1 7 SER HB3 H 6.598 11.986 5.319 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c34209_6f3y 1 . 10 . 1423 . 1 1 7 SER HG H 8.682 11.829 5.305 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c34209_6f3y 1 . 10 . 1424 . 1 1 7 SER N N 7.367 9.412 3.856 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c34209_6f3y 1 . 10 . 1425 . 1 1 7 SER O O 6.502 10.273 1.403 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c34209_6f3y 1 . 10 . 1426 . 1 1 7 SER OG O 8.397 11.705 4.396 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c34209_6f3y 1 . 10 . 1427 . 1 1 8 PRO C C 4.862 12.641 0.145 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c34209_6f3y 1 . 10 . 1428 . 1 1 8 PRO CA C 4.087 11.605 0.951 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c34209_6f3y 1 . 10 . 1429 . 1 1 8 PRO CB C 2.702 12.142 1.322 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c34209_6f3y 1 . 10 . 1430 . 1 1 8 PRO CD C 3.901 11.853 3.370 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c34209_6f3y 1 . 10 . 1431 . 1 1 8 PRO CG C 2.870 12.710 2.689 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c34209_6f3y 1 . 10 . 1432 . 1 1 8 PRO HA H 3.980 10.702 0.367 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c34209_6f3y 1 . 10 . 1433 . 1 1 8 PRO HB2 H 2.405 12.900 0.611 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c34209_6f3y 1 . 10 . 1434 . 1 1 8 PRO HB3 H 1.985 11.335 1.316 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c34209_6f3y 1 . 10 . 1435 . 1 1 8 PRO HD2 H 4.506 12.449 4.037 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c34209_6f3y 1 . 10 . 1436 . 1 1 8 PRO HD3 H 3.425 11.047 3.909 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c34209_6f3y 1 . 10 . 1437 . 1 1 8 PRO HG2 H 3.216 13.731 2.622 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c34209_6f3y 1 . 10 . 1438 . 1 1 8 PRO HG3 H 1.933 12.665 3.223 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c34209_6f3y 1 . 10 . 1439 . 1 1 8 PRO N N 4.706 11.334 2.252 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c34209_6f3y 1 . 10 . 1440 . 1 1 8 PRO O O 5.496 13.533 0.708 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c34209_6f3y 1 . 10 . 1441 . 1 1 9 PHE C C 4.819 14.808 -2.070 . . . 1.0 . . . . . . . . . . . . A . 9 PHE C . . . . . . . . . c34209_6f3y 1 . 10 . 1442 . 1 1 9 PHE CA C 5.503 13.445 -2.061 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CA . . . . . . . . . c34209_6f3y 1 . 10 . 1443 . 1 1 9 PHE CB C 5.560 12.882 -3.483 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CB . . . . . . . . . c34209_6f3y 1 . 10 . 1444 . 1 1 9 PHE CD1 C 7.842 13.273 -4.452 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD1 . . . . . . . . . c34209_6f3y 1 . 10 . 1445 . 1 1 9 PHE CD2 C 6.052 14.677 -5.166 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CD2 . . . . . . . . . c34209_6f3y 1 . 10 . 1446 . 1 1 9 PHE CE1 C 8.712 13.954 -5.281 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE1 . . . . . . . . . c34209_6f3y 1 . 10 . 1447 . 1 1 9 PHE CE2 C 6.917 15.362 -5.997 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CE2 . . . . . . . . . c34209_6f3y 1 . 10 . 1448 . 1 1 9 PHE CG C 6.503 13.625 -4.385 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CG . . . . . . . . . c34209_6f3y 1 . 10 . 1449 . 1 1 9 PHE CZ C 8.249 15.001 -6.054 . . . 1.0 . . . . . . . . . . . . A . 9 PHE CZ . . . . . . . . . c34209_6f3y 1 . 10 . 1450 . 1 1 9 PHE H H 4.283 11.786 -1.568 . . . 1.0 . . . . . . . . . . . . A . 9 PHE H . . . . . . . . . c34209_6f3y 1 . 10 . 1451 . 1 1 9 PHE HA H 6.509 13.563 -1.689 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HA . . . . . . . . . c34209_6f3y 1 . 10 . 1452 . 1 1 9 PHE HB2 H 5.883 11.852 -3.442 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB2 . . . . . . . . . c34209_6f3y 1 . 10 . 1453 . 1 1 9 PHE HB3 H 4.574 12.928 -3.920 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HB3 . . . . . . . . . c34209_6f3y 1 . 10 . 1454 . 1 1 9 PHE HD1 H 8.205 12.454 -3.847 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD1 . . . . . . . . . c34209_6f3y 1 . 10 . 1455 . 1 1 9 PHE HD2 H 5.010 14.961 -5.122 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HD2 . . . . . . . . . c34209_6f3y 1 . 10 . 1456 . 1 1 9 PHE HE1 H 9.753 13.670 -5.323 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE1 . . . . . . . . . c34209_6f3y 1 . 10 . 1457 . 1 1 9 PHE HE2 H 6.553 16.180 -6.600 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HE2 . . . . . . . . . c34209_6f3y 1 . 10 . 1458 . 1 1 9 PHE HZ H 8.928 15.535 -6.703 . . . 1.0 . . . . . . . . . . . . A . 9 PHE HZ . . . . . . . . . c34209_6f3y 1 . 10 . 1459 . 1 1 9 PHE N N 4.806 12.518 -1.177 . . . 1.0 . . . . . . . . . . . . A . 9 PHE N . . . . . . . . . c34209_6f3y 1 . 10 . 1460 . 1 1 9 PHE O O 3.708 14.953 -2.580 . . . 1.0 . . . . . . . . . . . . A . 9 PHE O . . . . . . . . . c34209_6f3y 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID c34209_6f3y _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 6f3y.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c34209_6f3y 1 1 6f3y.mr . . DYANA/DIANA 2 'dihedral angle' 'Not applicable' 'Not applicable' 11 c34209_6f3y 1 1 6f3y.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c34209_6f3y 1 stop_ save_ save_DYANA/DIANA_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode DYANA/DIANA_dihedral_2 _Torsion_angle_constraint_list.Entry_ID c34209_6f3y _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 . . . . c34209_6f3y 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 PHI . 1 1 1 1 LYS C C . . 1 1 2 2 ARG N N . . 1 1 2 2 ARG CA C . . 1 1 2 2 ARG C C . -144.652 -90.678 . . . A . 1 LYS C . . A . 2 ARG N . . A . 2 ARG CA . . A . 2 ARG C . . . 2 ARG . . . . . . 2 ARG . . . . . . 2 ARG . . . . . . 2 ARG . . . c34209_6f3y 1 2 PSI . 1 1 2 2 ARG N N . . 1 1 2 2 ARG CA C . . 1 1 2 2 ARG C C . . 1 1 3 3 PRO N N . 108.613 163.389 . . . A . 2 ARG N . . A . 2 ARG CA . . A . 2 ARG C . . A . 3 PRO N . . . 2 ARG . . . . . . 2 ARG . . . . . . 2 ARG . . . . . . 2 ARG . . . c34209_6f3y 1 3 PSI . 1 1 3 3 PRO N N . . 1 1 3 3 PRO CA C . . 1 1 3 3 PRO C C . . 1 1 4 4 PRO N N . 136.740 162.844 . . . A . 3 PRO N . . A . 3 PRO CA . . A . 3 PRO C . . A . 4 PRO N . . . 3 PRO . . . . . . 3 PRO . . . . . . 3 PRO . . . . . . 3 PRO . . . c34209_6f3y 1 4 PSI . 1 1 4 4 PRO N N . . 1 1 4 4 PRO CA C . . 1 1 4 4 PRO C C . . 1 1 5 5 GLY N N . 127.986 147.732 . . . A . 4 PRO N . . A . 4 PRO CA . . A . 4 PRO C . . A . 5 GLY N . . . 4 PRO . . . . . . 4 PRO . . . . . . 4 PRO . . . . . . 4 PRO . . . c34209_6f3y 1 5 PHI . 1 1 4 4 PRO C C . . 1 1 5 5 GLY N N . . 1 1 5 5 GLY CA C . . 1 1 5 5 GLY C C . 82.029 104.157 . . . A . 4 PRO C . . A . 5 GLY N . . A . 5 GLY CA . . A . 5 GLY C . . . 5 GLY . . . . . . 5 GLY . . . . . . 5 GLY . . . . . . 5 GLY . . . c34209_6f3y 1 6 PSI . 1 1 5 5 GLY N N . . 1 1 5 5 GLY CA C . . 1 1 5 5 GLY C C . . 1 1 6 6 PHE N N . -23.283 -4.891 . . . A . 5 GLY N . . A . 5 GLY CA . . A . 5 GLY C . . A . 6 PHE N . . . 5 GLY . . . . . . 5 GLY . . . . . . 5 GLY . . . . . . 5 GLY . . . c34209_6f3y 1 7 PHI . 1 1 5 5 GLY C C . . 1 1 6 6 PHE N N . . 1 1 6 6 PHE CA C . . 1 1 6 6 PHE C C . -85.552 -59.230 . . . A . 5 GLY C . . A . 6 PHE N . . A . 6 PHE CA . . A . 6 PHE C . . . 6 PHE . . . . . . 6 PHE . . . . . . 6 PHE . . . . . . 6 PHE . . . c34209_6f3y 1 8 PSI . 1 1 6 6 PHE N N . . 1 1 6 6 PHE CA C . . 1 1 6 6 PHE C C . . 1 1 7 7 SER N N . 130.452 154.500 . . . A . 6 PHE N . . A . 6 PHE CA . . A . 6 PHE C . . A . 7 SER N . . . 6 PHE . . . . . . 6 PHE . . . . . . 6 PHE . . . . . . 6 PHE . . . c34209_6f3y 1 9 PHI . 1 1 6 6 PHE C C . . 1 1 7 7 SER N N . . 1 1 7 7 SER CA C . . 1 1 7 7 SER C C . -131.653 -85.921 . . . A . 6 PHE C . . A . 7 SER N . . A . 7 SER CA . . A . 7 SER C . . . 7 SER . . . . . . 7 SER . . . . . . 7 SER . . . . . . 7 SER . . . c34209_6f3y 1 10 PSI . 1 1 7 7 SER N N . . 1 1 7 7 SER CA C . . 1 1 7 7 SER C C . . 1 1 8 8 PRO N N . 121.394 189.928 . . . A . 7 SER N . . A . 7 SER CA . . A . 7 SER C . . A . 8 PRO N . . . 7 SER . . . . . . 7 SER . . . . . . 7 SER . . . . . . 7 SER . . . c34209_6f3y 1 11 PSI . 1 1 8 8 PRO N N . . 1 1 8 8 PRO CA C . . 1 1 8 8 PRO C C . . 1 1 9 9 PHE N N . 139.993 155.951 . . . A . 8 PRO N . . A . 8 PRO CA . . A . 8 PRO C . . A . 9 PHE N . . . 8 PRO . . . . . . 8 PRO . . . . . . 8 PRO . . . . . . 8 PRO . . . c34209_6f3y 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 'Restraints file 1: DAKD_bound_tor.aco' 1 1 1 39 c34209_6f3y 1 2 'Talos contraints =10 only' 2 1 2 26 c34209_6f3y 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 c34209_6f3y _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 MEMBRANE PROTEIN 29-NOV-17 6F3Y *TITLE BACKBONE STRUCTURE OF DES-ARG10-KALLIDIN (DAKD) PEPTIDE BOUND TO HUMAN *TITLE 2 BRADYKININ 1 RECEPTOR (B1R) DETERMINED BY DNP-ENHANCED MAS SSNMR *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: KININOGEN-1; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: ALPHA-2-THIOL PROTEINASE INHIBITOR,FITZGERALD FACTOR,HIGH *COMPND 5 MOLECULAR WEIGHT KININOGEN,HMWK,WILLIAMS-FITZGERALD-FLAUJEAC FACTOR; *COMPND 6 ENGINEERED: YES; *COMPND 7 OTHER_DETAILS: DAKD PEPTIDE BOUND TO HUMAN B1R SYNONYMS: LYS-DES-ARG9 *COMPND 8 BRADYKININ *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_COMMON: HUMAN; *SOURCE 5 ORGANISM_TAXID: 9606; *SOURCE 6 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN HUMANS *KEYWDS GPCR, DNP, MEMBRANE PROTEIN *EXPDTA SOLID-STATE NMR *NUMMDL 10 *AUTHOR J.MAO,G.KUENZE,L.JOEDICKE,J.MEILER,H.MICHEL,C.GLAUBITZ *REVDAT 1 10-JAN-18 6F3Y 0 ; save_