data_c30342_6aza ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c30342_6aza _Entry.Title ; NMR structure of sea anemone toxin Kappa-actitoxin-Ate1a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-09-10 _Entry.Accession_date 2017-09-10 _Entry.Last_release_date 2017-09-13 _Entry.Original_release_date 2017-09-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Y. Chin Y. K.-Y. . . c30342_6aza 2 B. Madio B. . . . c30342_6aza 3 G. King G. F. . . c30342_6aza 4 E. Undheim E. A.B. . . c30342_6aza stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Sea anemone; Actinia tenebrosa; Neurotoxin; Ion channels' . c30342_6aza TOXIN . c30342_6aza stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c30342_6aza spectral_peak_list 1 c30342_6aza stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 52 c30342_6aza '15N chemical shifts' 17 c30342_6aza '1H chemical shifts' 108 c30342_6aza 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 . . 2018-09-06 . original BMRB . c30342_6aza stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6AZA 'BMRB Entry Tracking System' c30342_6aza stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c30342_6aza _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 ; Structure and function of AteTx1: a new type of KV sea anemone toxins ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _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 B. Madio B. . . . c30342_6aza 1 2 S. Peigneur S. . . . c30342_6aza 1 3 S. Henriques S. T. . . c30342_6aza 1 4 J. Smith J. J. . . c30342_6aza 1 5 B. Cristofori-Armstrong B. . . . c30342_6aza 1 6 Y. Chin Y. K.-Y. . . c30342_6aza 1 7 B. Hamilton B. R. . . c30342_6aza 1 8 Z. Dekan Z. . . . c30342_6aza 1 9 P. Alewood P. F. . . c30342_6aza 1 10 J. Tytgat J. . . . c30342_6aza 1 11 G. King G. F. . . c30342_6aza 1 12 E. Undheim E. A.B. . . c30342_6aza 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c30342_6aza _Assembly.ID 1 _Assembly.Name 'sea anemone toxin Kappa-actitoxin-Ate1a' _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 . . . . . . c30342_6aza 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c30342_6aza _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'sea anemone toxin Kappa-actitoxin-Ate1a' _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 ; RCKTCSKGRCRPKPNCGX ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 18 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1898.332 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'RcKTcSKGRcRPKPNcG NH2' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ARG . c30342_6aza 1 2 . CYS . c30342_6aza 1 3 . LYS . c30342_6aza 1 4 . THR . c30342_6aza 1 5 . CYS . c30342_6aza 1 6 . SER . c30342_6aza 1 7 . LYS . c30342_6aza 1 8 . GLY . c30342_6aza 1 9 . ARG . c30342_6aza 1 10 . CYS . c30342_6aza 1 11 . ARG . c30342_6aza 1 12 . PRO . c30342_6aza 1 13 . LYS . c30342_6aza 1 14 . PRO . c30342_6aza 1 15 . ASN . c30342_6aza 1 16 . CYS . c30342_6aza 1 17 . GLY . c30342_6aza 1 18 . NH2 . c30342_6aza 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 . ARG 1 1 c30342_6aza 1 . CYS 2 2 c30342_6aza 1 . LYS 3 3 c30342_6aza 1 . THR 4 4 c30342_6aza 1 . CYS 5 5 c30342_6aza 1 . SER 6 6 c30342_6aza 1 . LYS 7 7 c30342_6aza 1 . GLY 8 8 c30342_6aza 1 . ARG 9 9 c30342_6aza 1 . CYS 10 10 c30342_6aza 1 . ARG 11 11 c30342_6aza 1 . PRO 12 12 c30342_6aza 1 . LYS 13 13 c30342_6aza 1 . PRO 14 14 c30342_6aza 1 . ASN 15 15 c30342_6aza 1 . CYS 16 16 c30342_6aza 1 . GLY 17 17 c30342_6aza 1 . NH2 18 18 c30342_6aza 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 c30342_6aza _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 . 6105 organism . 'Actinia tenebrosa' 'Australian red waratah sea anemone' . . Eukaryota Metazoa Actinia tenebrosa . . . . . . . . . . . . . c30342_6aza 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 c30342_6aza _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' . . . . . . . . . . . . . . . . c30342_6aza 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID c30342_6aza _Chem_comp.ID NH2 _Chem_comp.Provenance PDB _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NH2 _Chem_comp.PDB_code NH2 _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NH2 _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1/H3N/h1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.023 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details 'OpenEye OEToolkits' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2FLY _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c30342_6aza _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM AteTx1, 20 mM sodium phosphate, 5 % D2O, 95 % H2O, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AteTx1 'natural abundance' . . 1 $entity_1 . . 1 . . mM . . . . c30342_6aza 1 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . c30342_6aza 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . c30342_6aza 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . c30342_6aza 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID c30342_6aza _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM AteTx1, 20 mM sodium phosphate, 100 % D2O, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AteTx1 'natural abundance' . . 1 $entity_1 . . 1 . . mM . . . . c30342_6aza 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . c30342_6aza 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . c30342_6aza 2 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 c30342_6aza _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' 20 . mM c30342_6aza 1 pH 6 . pH c30342_6aza 1 pressure 1 . atm c30342_6aza 1 temperature 283 . K c30342_6aza 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c30342_6aza _Software.ID 1 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . c30342_6aza 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c30342_6aza 1 'peak picking' c30342_6aza 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c30342_6aza _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . c30342_6aza 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c30342_6aza 2 'structure calculation' c30342_6aza 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID c30342_6aza _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . c30342_6aza 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection c30342_6aza 3 processing c30342_6aza 3 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 c30342_6aza _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 c30342_6aza _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 AvanceIII . 600 . . . c30342_6aza 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 c30342_6aza _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 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30342_6aza 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30342_6aza 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30342_6aza 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30342_6aza 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30342_6aza 1 6 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30342_6aza 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 c30342_6aza _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 water protons . . . . ppm 4.700 external indirect 0.23144953 . . . . . c30342_6aza 1 H 1 water protons . . . . ppm 4.700 external direct 1 . . . . . c30342_6aza 1 N 14 water protons . . . . ppm 4.700 external indirect 0.10132912 . . . . . c30342_6aza 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 c30342_6aza _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 1H-15N HSQC' . . . c30342_6aza 1 2 '2D 1H-13C HSQC' . . . c30342_6aza 1 3 '2D 1H-1H TOCSY' . . . c30342_6aza 1 4 '2D 1H-1H NOESY' . . . c30342_6aza 1 5 '2D 1H-13C HSQC' . . . c30342_6aza 1 6 '2D 1H-1H TOCSY' . . . c30342_6aza 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.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 ARG HA H 1 3.817 0.001 . 1 . . . . A 1 ARG HA . c30342_6aza 1 2 . 1 1 1 1 ARG HB2 H 1 1.693 0.001 . 2 . . . . A 1 ARG HB2 . c30342_6aza 1 3 . 1 1 1 1 ARG HB3 H 1 1.693 0.001 . 2 . . . . A 1 ARG HB3 . c30342_6aza 1 4 . 1 1 1 1 ARG HG2 H 1 1.428 0.000 . 2 . . . . A 1 ARG HG2 . c30342_6aza 1 5 . 1 1 1 1 ARG HG3 H 1 1.428 0.000 . 2 . . . . A 1 ARG HG3 . c30342_6aza 1 6 . 1 1 1 1 ARG HD2 H 1 2.980 0.002 . 2 . . . . A 1 ARG HD2 . c30342_6aza 1 7 . 1 1 1 1 ARG HD3 H 1 2.980 0.002 . 2 . . . . A 1 ARG HD3 . c30342_6aza 1 8 . 1 1 1 1 ARG CA C 13 55.403 0.000 . 1 . . . . A 1 ARG CA . c30342_6aza 1 9 . 1 1 1 1 ARG CB C 13 31.160 0.000 . 1 . . . . A 1 ARG CB . c30342_6aza 1 10 . 1 1 1 1 ARG CG C 13 26.126 0.000 . 1 . . . . A 1 ARG CG . c30342_6aza 1 11 . 1 1 1 1 ARG CD C 13 42.915 0.000 . 1 . . . . A 1 ARG CD . c30342_6aza 1 12 . 1 1 2 2 CYS HA H 1 4.465 0.002 . 1 . . . . A 2 CYS HA . c30342_6aza 1 13 . 1 1 2 2 CYS HB2 H 1 2.808 0.003 . 2 . . . . A 2 CYS HB2 . c30342_6aza 1 14 . 1 1 2 2 CYS HB3 H 1 3.098 0.005 . 2 . . . . A 2 CYS HB3 . c30342_6aza 1 15 . 1 1 2 2 CYS CA C 13 55.505 0.000 . 1 . . . . A 2 CYS CA . c30342_6aza 1 16 . 1 1 2 2 CYS CB C 13 40.615 0.052 . 1 . . . . A 2 CYS CB . c30342_6aza 1 17 . 1 1 3 3 LYS H H 1 8.369 0.002 . 1 . . . . A 3 LYS H . c30342_6aza 1 18 . 1 1 3 3 LYS HA H 1 4.442 0.002 . 1 . . . . A 3 LYS HA . c30342_6aza 1 19 . 1 1 3 3 LYS HB2 H 1 1.492 0.001 . 2 . . . . A 3 LYS HB2 . c30342_6aza 1 20 . 1 1 3 3 LYS HB3 H 1 1.464 0.000 . 2 . . . . A 3 LYS HB3 . c30342_6aza 1 21 . 1 1 3 3 LYS HG2 H 1 1.153 0.001 . 2 . . . . A 3 LYS HG2 . c30342_6aza 1 22 . 1 1 3 3 LYS HG3 H 1 1.106 0.000 . 2 . . . . A 3 LYS HG3 . c30342_6aza 1 23 . 1 1 3 3 LYS HD2 H 1 1.356 0.001 . 2 . . . . A 3 LYS HD2 . c30342_6aza 1 24 . 1 1 3 3 LYS HD3 H 1 1.473 0.001 . 2 . . . . A 3 LYS HD3 . c30342_6aza 1 25 . 1 1 3 3 LYS HE2 H 1 2.694 0.001 . 2 . . . . A 3 LYS HE2 . c30342_6aza 1 26 . 1 1 3 3 LYS HE3 H 1 2.694 0.001 . 2 . . . . A 3 LYS HE3 . c30342_6aza 1 27 . 1 1 3 3 LYS CA C 13 55.709 0.000 . 1 . . . . A 3 LYS CA . c30342_6aza 1 28 . 1 1 3 3 LYS CB C 13 34.528 0.003 . 1 . . . . A 3 LYS CB . c30342_6aza 1 29 . 1 1 3 3 LYS CG C 13 24.398 0.004 . 1 . . . . A 3 LYS CG . c30342_6aza 1 30 . 1 1 3 3 LYS CD C 13 29.194 0.000 . 1 . . . . A 3 LYS CD . c30342_6aza 1 31 . 1 1 3 3 LYS CE C 13 41.845 0.000 . 1 . . . . A 3 LYS CE . c30342_6aza 1 32 . 1 1 3 3 LYS N N 15 122.509 0.000 . 1 . . . . A 3 LYS N . c30342_6aza 1 33 . 1 1 4 4 THR H H 1 8.469 0.002 . 1 . . . . A 4 THR H . c30342_6aza 1 34 . 1 1 4 4 THR HA H 1 4.183 0.001 . 1 . . . . A 4 THR HA . c30342_6aza 1 35 . 1 1 4 4 THR HB H 1 3.809 0.001 . 1 . . . . A 4 THR HB . c30342_6aza 1 36 . 1 1 4 4 THR HG21 H 1 0.957 0.001 . 1 . . . . A 4 THR HG21 . c30342_6aza 1 37 . 1 1 4 4 THR HG22 H 1 0.957 0.001 . 1 . . . . A 4 THR HG22 . c30342_6aza 1 38 . 1 1 4 4 THR HG23 H 1 0.957 0.001 . 1 . . . . A 4 THR HG23 . c30342_6aza 1 39 . 1 1 4 4 THR CA C 13 61.425 0.000 . 1 . . . . A 4 THR CA . c30342_6aza 1 40 . 1 1 4 4 THR CB C 13 69.799 0.000 . 1 . . . . A 4 THR CB . c30342_6aza 1 41 . 1 1 4 4 THR CG2 C 13 21.219 0.000 . 1 . . . . A 4 THR CG2 . c30342_6aza 1 42 . 1 1 4 4 THR N N 15 117.614 0.000 . 1 . . . . A 4 THR N . c30342_6aza 1 43 . 1 1 5 5 CYS H H 1 8.642 0.000 . 1 . . . . A 5 CYS H . c30342_6aza 1 44 . 1 1 5 5 CYS HA H 1 4.968 0.001 . 1 . . . . A 5 CYS HA . c30342_6aza 1 45 . 1 1 5 5 CYS HB2 H 1 2.827 0.004 . 2 . . . . A 5 CYS HB2 . c30342_6aza 1 46 . 1 1 5 5 CYS HB3 H 1 2.734 0.002 . 2 . . . . A 5 CYS HB3 . c30342_6aza 1 47 . 1 1 5 5 CYS CA C 13 55.300 0.000 . 1 . . . . A 5 CYS CA . c30342_6aza 1 48 . 1 1 5 5 CYS CB C 13 45.223 0.005 . 1 . . . . A 5 CYS CB . c30342_6aza 1 49 . 1 1 5 5 CYS N N 15 124.221 0.000 . 1 . . . . A 5 CYS N . c30342_6aza 1 50 . 1 1 6 6 SER H H 1 8.530 0.001 . 1 . . . . A 6 SER H . c30342_6aza 1 51 . 1 1 6 6 SER HA H 1 4.249 0.003 . 1 . . . . A 6 SER HA . c30342_6aza 1 52 . 1 1 6 6 SER HB2 H 1 3.611 0.003 . 2 . . . . A 6 SER HB2 . c30342_6aza 1 53 . 1 1 6 6 SER HB3 H 1 3.554 0.004 . 2 . . . . A 6 SER HB3 . c30342_6aza 1 54 . 1 1 6 6 SER CA C 13 58.243 0.000 . 1 . . . . A 6 SER CA . c30342_6aza 1 55 . 1 1 6 6 SER CB C 13 63.814 0.025 . 1 . . . . A 6 SER CB . c30342_6aza 1 56 . 1 1 6 6 SER N N 15 118.392 0.000 . 1 . . . . A 6 SER N . c30342_6aza 1 57 . 1 1 7 7 LYS H H 1 8.702 0.002 . 1 . . . . A 7 LYS H . c30342_6aza 1 58 . 1 1 7 7 LYS HA H 1 3.873 0.002 . 1 . . . . A 7 LYS HA . c30342_6aza 1 59 . 1 1 7 7 LYS HB2 H 1 1.690 0.001 . 2 . . . . A 7 LYS HB2 . c30342_6aza 1 60 . 1 1 7 7 LYS HB3 H 1 1.601 0.001 . 2 . . . . A 7 LYS HB3 . c30342_6aza 1 61 . 1 1 7 7 LYS HG2 H 1 1.188 0.018 . 2 . . . . A 7 LYS HG2 . c30342_6aza 1 62 . 1 1 7 7 LYS HG3 H 1 1.149 0.002 . 2 . . . . A 7 LYS HG3 . c30342_6aza 1 63 . 1 1 7 7 LYS HD2 H 1 1.435 0.003 . 2 . . . . A 7 LYS HD2 . c30342_6aza 1 64 . 1 1 7 7 LYS HD3 H 1 1.435 0.003 . 2 . . . . A 7 LYS HD3 . c30342_6aza 1 65 . 1 1 7 7 LYS HE2 H 1 2.736 0.001 . 2 . . . . A 7 LYS HE2 . c30342_6aza 1 66 . 1 1 7 7 LYS HE3 H 1 2.736 0.001 . 2 . . . . A 7 LYS HE3 . c30342_6aza 1 67 . 1 1 7 7 LYS CA C 13 56.749 0.000 . 1 . . . . A 7 LYS CA . c30342_6aza 1 68 . 1 1 7 7 LYS CB C 13 30.797 0.003 . 1 . . . . A 7 LYS CB . c30342_6aza 1 69 . 1 1 7 7 LYS CG C 13 24.654 0.000 . 1 . . . . A 7 LYS CG . c30342_6aza 1 70 . 1 1 7 7 LYS CD C 13 28.899 0.000 . 1 . . . . A 7 LYS CD . c30342_6aza 1 71 . 1 1 7 7 LYS CE C 13 41.941 0.000 . 1 . . . . A 7 LYS CE . c30342_6aza 1 72 . 1 1 7 7 LYS N N 15 123.016 0.000 . 1 . . . . A 7 LYS N . c30342_6aza 1 73 . 1 1 8 8 GLY H H 1 8.447 0.002 . 1 . . . . A 8 GLY H . c30342_6aza 1 74 . 1 1 8 8 GLY HA2 H 1 3.889 0.003 . 2 . . . . A 8 GLY HA2 . c30342_6aza 1 75 . 1 1 8 8 GLY HA3 H 1 3.447 0.002 . 2 . . . . A 8 GLY HA3 . c30342_6aza 1 76 . 1 1 8 8 GLY CA C 13 45.119 0.008 . 1 . . . . A 8 GLY CA . c30342_6aza 1 77 . 1 1 8 8 GLY N N 15 107.178 0.000 . 1 . . . . A 8 GLY N . c30342_6aza 1 78 . 1 1 9 9 ARG H H 1 7.833 0.002 . 1 . . . . A 9 ARG H . c30342_6aza 1 79 . 1 1 9 9 ARG HA H 1 4.290 0.002 . 1 . . . . A 9 ARG HA . c30342_6aza 1 80 . 1 1 9 9 ARG HB2 H 1 1.627 0.002 . 2 . . . . A 9 ARG HB2 . c30342_6aza 1 81 . 1 1 9 9 ARG HB3 H 1 1.573 0.001 . 2 . . . . A 9 ARG HB3 . c30342_6aza 1 82 . 1 1 9 9 ARG HG2 H 1 1.404 0.002 . 2 . . . . A 9 ARG HG2 . c30342_6aza 1 83 . 1 1 9 9 ARG HG3 H 1 1.326 0.001 . 2 . . . . A 9 ARG HG3 . c30342_6aza 1 84 . 1 1 9 9 ARG HD2 H 1 2.958 0.002 . 2 . . . . A 9 ARG HD2 . c30342_6aza 1 85 . 1 1 9 9 ARG HD3 H 1 2.958 0.002 . 2 . . . . A 9 ARG HD3 . c30342_6aza 1 86 . 1 1 9 9 ARG HE H 1 7.002 0.005 . 1 . . . . A 9 ARG HE . c30342_6aza 1 87 . 1 1 9 9 ARG CA C 13 55.237 0.000 . 1 . . . . A 9 ARG CA . c30342_6aza 1 88 . 1 1 9 9 ARG CB C 13 30.955 0.005 . 1 . . . . A 9 ARG CB . c30342_6aza 1 89 . 1 1 9 9 ARG CG C 13 26.875 0.000 . 1 . . . . A 9 ARG CG . c30342_6aza 1 90 . 1 1 9 9 ARG CD C 13 43.300 0.000 . 1 . . . . A 9 ARG CD . c30342_6aza 1 91 . 1 1 9 9 ARG N N 15 120.407 0.000 . 1 . . . . A 9 ARG N . c30342_6aza 1 92 . 1 1 9 9 ARG NE N 15 84.311 0.000 . 1 . . . . A 9 ARG NE . c30342_6aza 1 93 . 1 1 10 10 CYS H H 1 8.518 0.001 . 1 . . . . A 10 CYS H . c30342_6aza 1 94 . 1 1 10 10 CYS HA H 1 4.936 0.001 . 1 . . . . A 10 CYS HA . c30342_6aza 1 95 . 1 1 10 10 CYS HB2 H 1 2.780 0.000 . 2 . . . . A 10 CYS HB2 . c30342_6aza 1 96 . 1 1 10 10 CYS HB3 H 1 2.674 0.001 . 2 . . . . A 10 CYS HB3 . c30342_6aza 1 97 . 1 1 10 10 CYS CA C 13 55.015 0.000 . 1 . . . . A 10 CYS CA . c30342_6aza 1 98 . 1 1 10 10 CYS CB C 13 44.477 0.010 . 1 . . . . A 10 CYS CB . c30342_6aza 1 99 . 1 1 10 10 CYS N N 15 121.295 0.000 . 1 . . . . A 10 CYS N . c30342_6aza 1 100 . 1 1 11 11 ARG H H 1 8.626 0.004 . 1 . . . . A 11 ARG H . c30342_6aza 1 101 . 1 1 11 11 ARG HA H 1 4.543 0.003 . 1 . . . . A 11 ARG HA . c30342_6aza 1 102 . 1 1 11 11 ARG HB2 H 1 1.610 0.001 . 2 . . . . A 11 ARG HB2 . c30342_6aza 1 103 . 1 1 11 11 ARG HB3 H 1 1.500 0.002 . 2 . . . . A 11 ARG HB3 . c30342_6aza 1 104 . 1 1 11 11 ARG HG2 H 1 1.412 0.001 . 2 . . . . A 11 ARG HG2 . c30342_6aza 1 105 . 1 1 11 11 ARG HG3 H 1 1.412 0.001 . 2 . . . . A 11 ARG HG3 . c30342_6aza 1 106 . 1 1 11 11 ARG HD2 H 1 2.965 0.003 . 2 . . . . A 11 ARG HD2 . c30342_6aza 1 107 . 1 1 11 11 ARG HD3 H 1 2.965 0.003 . 2 . . . . A 11 ARG HD3 . c30342_6aza 1 108 . 1 1 11 11 ARG HE H 1 7.037 0.000 . 1 . . . . A 11 ARG HE . c30342_6aza 1 109 . 1 1 11 11 ARG CA C 13 53.377 0.000 . 1 . . . . A 11 ARG CA . c30342_6aza 1 110 . 1 1 11 11 ARG CB C 13 30.693 0.000 . 1 . . . . A 11 ARG CB . c30342_6aza 1 111 . 1 1 11 11 ARG CG C 13 26.146 0.000 . 1 . . . . A 11 ARG CG . c30342_6aza 1 112 . 1 1 11 11 ARG CD C 13 43.107 0.000 . 1 . . . . A 11 ARG CD . c30342_6aza 1 113 . 1 1 11 11 ARG N N 15 123.138 0.000 . 1 . . . . A 11 ARG N . c30342_6aza 1 114 . 1 1 11 11 ARG NE N 15 84.365 0.000 . 1 . . . . A 11 ARG NE . c30342_6aza 1 115 . 1 1 12 12 PRO HA H 1 4.276 0.002 . 1 . . . . A 12 PRO HA . c30342_6aza 1 116 . 1 1 12 12 PRO HB2 H 1 2.060 0.001 . 2 . . . . A 12 PRO HB2 . c30342_6aza 1 117 . 1 1 12 12 PRO HB3 H 1 1.616 0.002 . 2 . . . . A 12 PRO HB3 . c30342_6aza 1 118 . 1 1 12 12 PRO HG2 H 1 1.744 0.001 . 2 . . . . A 12 PRO HG2 . c30342_6aza 1 119 . 1 1 12 12 PRO HG3 H 1 1.832 0.001 . 2 . . . . A 12 PRO HG3 . c30342_6aza 1 120 . 1 1 12 12 PRO HD2 H 1 3.414 0.001 . 2 . . . . A 12 PRO HD2 . c30342_6aza 1 121 . 1 1 12 12 PRO HD3 H 1 3.581 0.001 . 2 . . . . A 12 PRO HD3 . c30342_6aza 1 122 . 1 1 12 12 PRO CA C 13 62.926 0.000 . 1 . . . . A 12 PRO CA . c30342_6aza 1 123 . 1 1 12 12 PRO CB C 13 32.063 0.007 . 1 . . . . A 12 PRO CB . c30342_6aza 1 124 . 1 1 12 12 PRO CG C 13 27.268 0.004 . 1 . . . . A 12 PRO CG . c30342_6aza 1 125 . 1 1 12 12 PRO CD C 13 50.526 0.001 . 1 . . . . A 12 PRO CD . c30342_6aza 1 126 . 1 1 13 13 LYS H H 1 7.975 0.002 . 1 . . . . A 13 LYS H . c30342_6aza 1 127 . 1 1 13 13 LYS HA H 1 4.409 0.005 . 1 . . . . A 13 LYS HA . c30342_6aza 1 128 . 1 1 13 13 LYS HB2 H 1 1.568 0.001 . 2 . . . . A 13 LYS HB2 . c30342_6aza 1 129 . 1 1 13 13 LYS HB3 H 1 1.368 0.001 . 2 . . . . A 13 LYS HB3 . c30342_6aza 1 130 . 1 1 13 13 LYS HG2 H 1 1.197 0.001 . 2 . . . . A 13 LYS HG2 . c30342_6aza 1 131 . 1 1 13 13 LYS HG3 H 1 1.197 0.001 . 2 . . . . A 13 LYS HG3 . c30342_6aza 1 132 . 1 1 13 13 LYS HD2 H 1 1.433 0.001 . 2 . . . . A 13 LYS HD2 . c30342_6aza 1 133 . 1 1 13 13 LYS HD3 H 1 1.433 0.001 . 2 . . . . A 13 LYS HD3 . c30342_6aza 1 134 . 1 1 13 13 LYS HE2 H 1 2.743 0.002 . 2 . . . . A 13 LYS HE2 . c30342_6aza 1 135 . 1 1 13 13 LYS HE3 H 1 2.743 0.002 . 2 . . . . A 13 LYS HE3 . c30342_6aza 1 136 . 1 1 13 13 LYS CA C 13 55.898 0.000 . 1 . . . . A 13 LYS CA . c30342_6aza 1 137 . 1 1 13 13 LYS CB C 13 33.269 0.003 . 1 . . . . A 13 LYS CB . c30342_6aza 1 138 . 1 1 13 13 LYS CG C 13 24.880 0.000 . 1 . . . . A 13 LYS CG . c30342_6aza 1 139 . 1 1 13 13 LYS CD C 13 29.354 0.000 . 1 . . . . A 13 LYS CD . c30342_6aza 1 140 . 1 1 13 13 LYS CE C 13 41.861 0.000 . 1 . . . . A 13 LYS CE . c30342_6aza 1 141 . 1 1 13 13 LYS N N 15 123.183 0.000 . 1 . . . . A 13 LYS N . c30342_6aza 1 142 . 1 1 14 14 PRO HA H 1 4.101 0.001 . 1 . . . . A 14 PRO HA . c30342_6aza 1 143 . 1 1 14 14 PRO HB2 H 1 2.056 0.001 . 2 . . . . A 14 PRO HB2 . c30342_6aza 1 144 . 1 1 14 14 PRO HB3 H 1 1.662 0.001 . 2 . . . . A 14 PRO HB3 . c30342_6aza 1 145 . 1 1 14 14 PRO HG2 H 1 1.816 0.002 . 2 . . . . A 14 PRO HG2 . c30342_6aza 1 146 . 1 1 14 14 PRO HG3 H 1 1.767 0.001 . 2 . . . . A 14 PRO HG3 . c30342_6aza 1 147 . 1 1 14 14 PRO HD2 H 1 3.570 0.002 . 2 . . . . A 14 PRO HD2 . c30342_6aza 1 148 . 1 1 14 14 PRO HD3 H 1 3.459 0.002 . 2 . . . . A 14 PRO HD3 . c30342_6aza 1 149 . 1 1 14 14 PRO CA C 13 63.719 0.000 . 1 . . . . A 14 PRO CA . c30342_6aza 1 150 . 1 1 14 14 PRO CB C 13 31.930 0.009 . 1 . . . . A 14 PRO CB . c30342_6aza 1 151 . 1 1 14 14 PRO CG C 13 27.216 0.010 . 1 . . . . A 14 PRO CG . c30342_6aza 1 152 . 1 1 14 14 PRO CD C 13 50.475 0.010 . 1 . . . . A 14 PRO CD . c30342_6aza 1 153 . 1 1 15 15 ASN H H 1 8.329 0.001 . 1 . . . . A 15 ASN H . c30342_6aza 1 154 . 1 1 15 15 ASN HA H 1 4.334 0.003 . 1 . . . . A 15 ASN HA . c30342_6aza 1 155 . 1 1 15 15 ASN HB2 H 1 2.634 0.003 . 2 . . . . A 15 ASN HB2 . c30342_6aza 1 156 . 1 1 15 15 ASN HB3 H 1 2.584 0.001 . 2 . . . . A 15 ASN HB3 . c30342_6aza 1 157 . 1 1 15 15 ASN HD21 H 1 6.741 0.001 . 2 . . . . A 15 ASN HD21 . c30342_6aza 1 158 . 1 1 15 15 ASN HD22 H 1 7.456 0.000 . 2 . . . . A 15 ASN HD22 . c30342_6aza 1 159 . 1 1 15 15 ASN CA C 13 53.351 0.000 . 1 . . . . A 15 ASN CA . c30342_6aza 1 160 . 1 1 15 15 ASN CB C 13 37.761 0.008 . 1 . . . . A 15 ASN CB . c30342_6aza 1 161 . 1 1 15 15 ASN N N 15 115.148 0.000 . 1 . . . . A 15 ASN N . c30342_6aza 1 162 . 1 1 15 15 ASN ND2 N 15 113.390 0.006 . 1 . . . . A 15 ASN ND2 . c30342_6aza 1 163 . 1 1 16 16 CYS H H 1 8.037 0.001 . 1 . . . . A 16 CYS H . c30342_6aza 1 164 . 1 1 16 16 CYS HA H 1 4.421 0.008 . 1 . . . . A 16 CYS HA . c30342_6aza 1 165 . 1 1 16 16 CYS HB2 H 1 2.989 0.001 . 2 . . . . A 16 CYS HB2 . c30342_6aza 1 166 . 1 1 16 16 CYS HB3 H 1 2.741 0.001 . 2 . . . . A 16 CYS HB3 . c30342_6aza 1 167 . 1 1 16 16 CYS CA C 13 53.632 0.000 . 1 . . . . A 16 CYS CA . c30342_6aza 1 168 . 1 1 16 16 CYS CB C 13 40.643 0.019 . 1 . . . . A 16 CYS CB . c30342_6aza 1 169 . 1 1 16 16 CYS N N 15 118.344 0.000 . 1 . . . . A 16 CYS N . c30342_6aza 1 170 . 1 1 17 17 GLY H H 1 8.399 0.001 . 1 . . . . A 17 GLY H . c30342_6aza 1 171 . 1 1 17 17 GLY HA2 H 1 3.687 0.001 . 2 . . . . A 17 GLY HA2 . c30342_6aza 1 172 . 1 1 17 17 GLY HA3 H 1 3.687 0.001 . 2 . . . . A 17 GLY HA3 . c30342_6aza 1 173 . 1 1 17 17 GLY CA C 13 44.918 0.000 . 1 . . . . A 17 GLY CA . c30342_6aza 1 174 . 1 1 17 17 GLY N N 15 112.340 0.000 . 1 . . . . A 17 GLY N . c30342_6aza 1 175 . 1 1 18 18 NH2 N N 15 107.477 0.000 . 1 . . . . A 18 NH2 N . c30342_6aza 1 176 . 1 1 18 18 NH2 HN1 H 1 6.950 0.000 . 1 . . . . A 18 NH2 HN1 . c30342_6aza 1 177 . 1 1 18 18 NH2 HN2 H 1 7.305 0.000 . 1 . . . . A 18 NH2 HN2 . c30342_6aza 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID c30342_6aza _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . 16 ppm . . . 4.700 . . c30342_6aza 1 2 . . H 1 H . . 16 ppm . . . 4.700 . . c30342_6aza 1 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 . . . c30342_6aza 1 2 . . . c30342_6aza 1 3 . . . c30342_6aza 1 4 . . . c30342_6aza 1 5 . . . c30342_6aza 1 6 . . . c30342_6aza 1 7 . . . c30342_6aza 1 8 . . . c30342_6aza 1 9 . . . c30342_6aza 1 10 . . . c30342_6aza 1 11 . . . c30342_6aza 1 12 . . . c30342_6aza 1 13 . . . c30342_6aza 1 14 . . . c30342_6aza 1 15 . . . c30342_6aza 1 16 . . . c30342_6aza 1 17 . . . c30342_6aza 1 18 . . . c30342_6aza 1 19 . . . c30342_6aza 1 20 . . . c30342_6aza 1 21 . . . c30342_6aza 1 22 . . . c30342_6aza 1 23 . . . c30342_6aza 1 24 . . . c30342_6aza 1 25 . . . c30342_6aza 1 26 . . . c30342_6aza 1 27 . . . c30342_6aza 1 28 . . . c30342_6aza 1 29 . . . c30342_6aza 1 30 . . . c30342_6aza 1 31 . . . c30342_6aza 1 32 . . . c30342_6aza 1 33 . . . c30342_6aza 1 34 . . . c30342_6aza 1 35 . . . c30342_6aza 1 36 . . . c30342_6aza 1 37 . . . c30342_6aza 1 38 . . . c30342_6aza 1 39 . . . c30342_6aza 1 40 . . . c30342_6aza 1 41 . . . c30342_6aza 1 42 . . . c30342_6aza 1 43 . . . c30342_6aza 1 44 . . . c30342_6aza 1 45 . . . c30342_6aza 1 46 . . . c30342_6aza 1 47 . . . c30342_6aza 1 48 . . . c30342_6aza 1 49 . . . c30342_6aza 1 50 . . . c30342_6aza 1 51 . . . c30342_6aza 1 52 . . . c30342_6aza 1 53 . . . c30342_6aza 1 54 . . . c30342_6aza 1 55 . . . c30342_6aza 1 56 . . . c30342_6aza 1 57 . . . c30342_6aza 1 58 . . . c30342_6aza 1 59 . . . c30342_6aza 1 60 . . . c30342_6aza 1 61 . . . c30342_6aza 1 62 . . . c30342_6aza 1 63 . . . c30342_6aza 1 64 . . . c30342_6aza 1 65 . . . c30342_6aza 1 66 . . . c30342_6aza 1 67 . . . c30342_6aza 1 68 . . . c30342_6aza 1 69 . . . c30342_6aza 1 70 . . . c30342_6aza 1 71 . . . c30342_6aza 1 72 . . . c30342_6aza 1 73 . . . c30342_6aza 1 74 . . . c30342_6aza 1 75 . . . c30342_6aza 1 76 . . . c30342_6aza 1 77 . . . c30342_6aza 1 78 . . . c30342_6aza 1 79 . . . c30342_6aza 1 80 . . . c30342_6aza 1 81 . . . c30342_6aza 1 82 . . . c30342_6aza 1 83 . . . c30342_6aza 1 84 . . . c30342_6aza 1 85 . . . c30342_6aza 1 86 . . . c30342_6aza 1 87 . . . c30342_6aza 1 88 . . . c30342_6aza 1 89 . . . c30342_6aza 1 90 . . . c30342_6aza 1 91 . . . c30342_6aza 1 92 . . . c30342_6aza 1 93 . . . c30342_6aza 1 94 . . . c30342_6aza 1 95 . . . c30342_6aza 1 96 . . . c30342_6aza 1 97 . . . c30342_6aza 1 98 . . . c30342_6aza 1 99 . . . c30342_6aza 1 100 . . . c30342_6aza 1 101 . . . c30342_6aza 1 102 . . . c30342_6aza 1 103 . . . c30342_6aza 1 104 . . . c30342_6aza 1 105 . . . c30342_6aza 1 106 . . . c30342_6aza 1 107 . . . c30342_6aza 1 108 . . . c30342_6aza 1 109 . . . c30342_6aza 1 110 . . . c30342_6aza 1 111 . . . c30342_6aza 1 112 . . . c30342_6aza 1 113 . . . c30342_6aza 1 114 . . . c30342_6aza 1 115 . . . c30342_6aza 1 116 . . . c30342_6aza 1 117 . . . c30342_6aza 1 118 . . . c30342_6aza 1 119 . . . c30342_6aza 1 120 . . . c30342_6aza 1 121 . . . c30342_6aza 1 122 . . . c30342_6aza 1 123 . . . c30342_6aza 1 124 . . . c30342_6aza 1 125 . . . c30342_6aza 1 126 . . . c30342_6aza 1 127 . . . c30342_6aza 1 128 . . . c30342_6aza 1 129 . . . c30342_6aza 1 130 . . . c30342_6aza 1 131 . . . c30342_6aza 1 132 . . . c30342_6aza 1 133 . . . c30342_6aza 1 134 . . . c30342_6aza 1 135 . . . c30342_6aza 1 136 . . . c30342_6aza 1 137 . . . c30342_6aza 1 138 . . . c30342_6aza 1 139 . . . c30342_6aza 1 140 . . . c30342_6aza 1 141 . . . c30342_6aza 1 142 . . . c30342_6aza 1 143 . . . c30342_6aza 1 144 . . . c30342_6aza 1 145 . . . c30342_6aza 1 146 . . . c30342_6aza 1 147 . . . c30342_6aza 1 148 . . . c30342_6aza 1 149 . . . c30342_6aza 1 150 . . . c30342_6aza 1 151 . . . c30342_6aza 1 152 . . . c30342_6aza 1 153 . . . c30342_6aza 1 154 . . . c30342_6aza 1 155 . . . c30342_6aza 1 156 . . . c30342_6aza 1 157 . . . c30342_6aza 1 158 . . . c30342_6aza 1 159 . . . c30342_6aza 1 160 . . . c30342_6aza 1 161 . . . c30342_6aza 1 162 . . . c30342_6aza 1 163 . . . c30342_6aza 1 164 . . . c30342_6aza 1 165 . . . c30342_6aza 1 166 . . . c30342_6aza 1 167 . . . c30342_6aza 1 168 . . . c30342_6aza 1 169 . . . c30342_6aza 1 170 . . . c30342_6aza 1 171 . . . c30342_6aza 1 172 . . . c30342_6aza 1 173 . . . c30342_6aza 1 174 . . . c30342_6aza 1 175 . . . c30342_6aza 1 176 . . . c30342_6aza 1 177 . . . c30342_6aza 1 178 . . . c30342_6aza 1 179 . . . c30342_6aza 1 180 . . . c30342_6aza 1 181 . . . c30342_6aza 1 182 . . . c30342_6aza 1 183 . . . c30342_6aza 1 184 . . . c30342_6aza 1 185 . . . c30342_6aza 1 186 . . . c30342_6aza 1 187 . . . c30342_6aza 1 188 . . . c30342_6aza 1 189 . . . c30342_6aza 1 190 . . . c30342_6aza 1 191 . . . c30342_6aza 1 192 . . . c30342_6aza 1 193 . . . c30342_6aza 1 194 . . . c30342_6aza 1 195 . . . c30342_6aza 1 196 . . . c30342_6aza 1 197 . . . c30342_6aza 1 198 . . . c30342_6aza 1 199 . . . c30342_6aza 1 200 . . . c30342_6aza 1 201 . . . c30342_6aza 1 202 . . . c30342_6aza 1 203 . . . c30342_6aza 1 204 . . . c30342_6aza 1 205 . . . c30342_6aza 1 206 . . . c30342_6aza 1 207 . . . c30342_6aza 1 208 . . . c30342_6aza 1 209 . . . c30342_6aza 1 210 . . . c30342_6aza 1 211 . . . c30342_6aza 1 212 . . . c30342_6aza 1 213 . . . c30342_6aza 1 214 . . . c30342_6aza 1 215 . . . c30342_6aza 1 216 . . . c30342_6aza 1 217 . . . c30342_6aza 1 218 . . . c30342_6aza 1 219 . . . c30342_6aza 1 220 . . . c30342_6aza 1 221 . . . c30342_6aza 1 222 . . . c30342_6aza 1 223 . . . c30342_6aza 1 224 . . . c30342_6aza 1 225 . . . c30342_6aza 1 226 . . . c30342_6aza 1 227 . . . c30342_6aza 1 228 . . . c30342_6aza 1 229 . . . c30342_6aza 1 230 . . . c30342_6aza 1 231 . . . c30342_6aza 1 232 . . . c30342_6aza 1 233 . . . c30342_6aza 1 234 . . . c30342_6aza 1 235 . . . c30342_6aza 1 236 . . . c30342_6aza 1 237 . . . c30342_6aza 1 238 . . . c30342_6aza 1 239 . . . c30342_6aza 1 240 . . . c30342_6aza 1 241 . . . c30342_6aza 1 242 . . . c30342_6aza 1 243 . . . c30342_6aza 1 244 . . . c30342_6aza 1 245 . . . c30342_6aza 1 246 . . . c30342_6aza 1 247 . . . c30342_6aza 1 248 . . . c30342_6aza 1 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 0.0 . volume c30342_6aza 1 2 0.0 . volume c30342_6aza 1 3 0.0 . volume c30342_6aza 1 4 0.0 . volume c30342_6aza 1 5 0.0 . volume c30342_6aza 1 6 0.0 . volume c30342_6aza 1 7 0.0 . volume c30342_6aza 1 8 0.0 . volume c30342_6aza 1 9 0.0 . volume c30342_6aza 1 10 0.0 . volume c30342_6aza 1 11 0.0 . volume c30342_6aza 1 12 0.0 . volume c30342_6aza 1 13 0.0 . volume c30342_6aza 1 14 0.0 . volume c30342_6aza 1 15 0.0 . volume c30342_6aza 1 16 0.0 . volume c30342_6aza 1 17 0.0 . volume c30342_6aza 1 18 0.0 . volume c30342_6aza 1 19 0.0 . volume c30342_6aza 1 20 0.0 . volume c30342_6aza 1 21 0.0 . volume c30342_6aza 1 22 0.0 . volume c30342_6aza 1 23 0.0 . volume c30342_6aza 1 24 0.0 . volume c30342_6aza 1 25 0.0 . volume c30342_6aza 1 26 0.0 . volume c30342_6aza 1 27 0.0 . volume c30342_6aza 1 28 0.0 . volume c30342_6aza 1 29 0.0 . volume c30342_6aza 1 30 0.0 . volume c30342_6aza 1 31 0.0 . volume c30342_6aza 1 32 0.0 . volume c30342_6aza 1 33 0.0 . volume c30342_6aza 1 34 0.0 . volume c30342_6aza 1 35 0.0 . volume c30342_6aza 1 36 0.0 . volume c30342_6aza 1 37 0.0 . volume c30342_6aza 1 38 0.0 . volume c30342_6aza 1 39 0.0 . volume c30342_6aza 1 40 0.0 . volume c30342_6aza 1 41 0.0 . volume c30342_6aza 1 42 0.0 . volume c30342_6aza 1 43 0.0 . volume c30342_6aza 1 44 0.0 . volume c30342_6aza 1 45 0.0 . volume c30342_6aza 1 46 0.0 . volume c30342_6aza 1 47 0.0 . volume c30342_6aza 1 48 0.0 . volume c30342_6aza 1 49 0.0 . volume c30342_6aza 1 50 0.0 . volume c30342_6aza 1 51 0.0 . volume c30342_6aza 1 52 0.0 . volume c30342_6aza 1 53 0.0 . volume c30342_6aza 1 54 0.0 . volume c30342_6aza 1 55 0.0 . volume c30342_6aza 1 56 0.0 . volume c30342_6aza 1 57 0.0 . volume c30342_6aza 1 58 0.0 . volume c30342_6aza 1 59 0.0 . volume c30342_6aza 1 60 0.0 . volume c30342_6aza 1 61 0.0 . volume c30342_6aza 1 62 0.0 . volume c30342_6aza 1 63 0.0 . volume c30342_6aza 1 64 0.0 . volume c30342_6aza 1 65 0.0 . volume c30342_6aza 1 66 0.0 . volume c30342_6aza 1 67 0.0 . volume c30342_6aza 1 68 0.0 . volume c30342_6aza 1 69 0.0 . volume c30342_6aza 1 70 0.0 . volume c30342_6aza 1 71 0.0 . volume c30342_6aza 1 72 0.0 . volume c30342_6aza 1 73 0.0 . volume c30342_6aza 1 74 0.0 . volume c30342_6aza 1 75 0.0 . volume c30342_6aza 1 76 0.0 . volume c30342_6aza 1 77 0.0 . volume c30342_6aza 1 78 0.0 . volume c30342_6aza 1 79 0.0 . volume c30342_6aza 1 80 0.0 . volume c30342_6aza 1 81 0.0 . volume c30342_6aza 1 82 0.0 . volume c30342_6aza 1 83 0.0 . volume c30342_6aza 1 84 0.0 . volume c30342_6aza 1 85 0.0 . volume c30342_6aza 1 86 0.0 . volume c30342_6aza 1 87 0.0 . volume c30342_6aza 1 88 0.0 . volume c30342_6aza 1 89 0.0 . volume c30342_6aza 1 90 0.0 . volume c30342_6aza 1 91 0.0 . volume c30342_6aza 1 92 0.0 . volume c30342_6aza 1 93 0.0 . volume c30342_6aza 1 94 0.0 . volume c30342_6aza 1 95 0.0 . volume c30342_6aza 1 96 0.0 . volume c30342_6aza 1 97 0.0 . volume c30342_6aza 1 98 0.0 . volume c30342_6aza 1 99 0.0 . volume c30342_6aza 1 100 0.0 . volume c30342_6aza 1 101 0.0 . volume c30342_6aza 1 102 0.0 . volume c30342_6aza 1 103 0.0 . volume c30342_6aza 1 104 0.0 . volume c30342_6aza 1 105 0.0 . volume c30342_6aza 1 106 0.0 . volume c30342_6aza 1 107 0.0 . volume c30342_6aza 1 108 0.0 . volume c30342_6aza 1 109 0.0 . volume c30342_6aza 1 110 0.0 . volume c30342_6aza 1 111 0.0 . volume c30342_6aza 1 112 0.0 . volume c30342_6aza 1 113 0.0 . volume c30342_6aza 1 114 0.0 . volume c30342_6aza 1 115 0.0 . volume c30342_6aza 1 116 0.0 . volume c30342_6aza 1 117 0.0 . volume c30342_6aza 1 118 0.0 . volume c30342_6aza 1 119 0.0 . volume c30342_6aza 1 120 0.0 . volume c30342_6aza 1 121 0.0 . volume c30342_6aza 1 122 0.0 . volume c30342_6aza 1 123 0.0 . volume c30342_6aza 1 124 0.0 . volume c30342_6aza 1 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_Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 4.256 . . . . . . . . . . . . . c30342_6aza 1 1 2 8.703 . . . . . . . . . . . . . c30342_6aza 1 2 1 3.876 . . . . . . . . . . . . . c30342_6aza 1 2 2 8.703 . . . . . . . . . . . . . c30342_6aza 1 3 1 3.812 . . . . . . . . . . . . . c30342_6aza 1 3 2 8.639 . . . . . . . . . . . . . c30342_6aza 1 4 1 4.186 . . . . . . . . . . . . . c30342_6aza 1 4 2 8.642 . . . . . . . . . . . . . c30342_6aza 1 5 1 4.553 . . . . . . . . . . . . . c30342_6aza 1 5 2 8.625 . . . . . . . . . . . . . c30342_6aza 1 6 1 4.935 . . . . . . . . . . . . . c30342_6aza 1 6 2 8.626 . . . . . . . . . . . . . c30342_6aza 1 7 1 2.766 . . . . . . . . . . . . . c30342_6aza 1 7 2 8.628 . . . . . . . . . . . . . c30342_6aza 1 8 1 2.683 . . . . . . . . . . . . . c30342_6aza 1 8 2 8.626 . . . . . . . . . . . . . c30342_6aza 1 9 1 0.958 . . . . . . . . . . . . . c30342_6aza 1 9 2 8.636 . . . . . . . . . . . . . c30342_6aza 1 10 1 1.612 . . . . . . . . . . . . . c30342_6aza 1 10 2 8.625 . . . . . . . . . . . . . c30342_6aza 1 11 1 1.495 . . . . . . . . . . . . . c30342_6aza 1 11 2 8.625 . . . . . . . . . . . . . c30342_6aza 1 12 1 1.419 . . . . . . . . . . . . . c30342_6aza 1 12 2 8.625 . . . . . . . . . . . . . c30342_6aza 1 13 1 8.476 . . . . . . . . . . . . . c30342_6aza 1 13 2 8.631 . . . . . . . . . . . . . c30342_6aza 1 14 1 8.702 . . . . . . . . . . . . . c30342_6aza 1 14 2 4.252 . . . . . . . . . . . . . c30342_6aza 1 15 1 8.642 . . . . . . . . . . . . . c30342_6aza 1 15 2 4.183 . . . . . . . . . . . . . c30342_6aza 1 16 1 8.704 . . . . . . . . . . . . . c30342_6aza 1 16 2 3.872 . . . . . . . . . . . . . c30342_6aza 1 17 1 8.636 . . . . . . . . . . . . . c30342_6aza 1 17 2 3.809 . . . . . . . . . . . . . c30342_6aza 1 18 1 8.642 . . . . . . . . . . . . . c30342_6aza 1 18 2 2.965 . . . . . . . . . . . . . c30342_6aza 1 19 1 8.642 . . . . . . . . . . . . . c30342_6aza 1 19 2 2.821 . . . . . . . . . . . . . c30342_6aza 1 20 1 8.636 . . . . . . . . . . . . . c30342_6aza 1 20 2 2.746 . . . . . . . . . . . . . c30342_6aza 1 21 1 8.626 . . . . . . . . . . . . . c30342_6aza 1 21 2 2.683 . . . . . . . . . . . . . c30342_6aza 1 22 1 8.632 . . . . . . . . . . . . . c30342_6aza 1 22 2 0.958 . . . . . . . . . . . . . c30342_6aza 1 23 1 8.625 . . . . . . . . . . . . . c30342_6aza 1 23 2 1.606 . . . . . . . . . . . . . c30342_6aza 1 24 1 8.625 . . . . . . . . . . . . . c30342_6aza 1 24 2 1.5 . . . . . . . . . . . . . c30342_6aza 1 25 1 8.62 . . . . . . . . . . . . . c30342_6aza 1 25 2 1.416 . . . . . . . . . . . . . c30342_6aza 1 26 1 4.948 . . . . . . . . . . . . . c30342_6aza 1 26 2 8.525 . . . . . . . . . . . . . c30342_6aza 1 27 1 4.292 . . . . . . . . . . . . . c30342_6aza 1 27 2 8.518 . . . . . . . . . . . . . c30342_6aza 1 28 1 3.557 . . . . . . . . . . . . . c30342_6aza 1 28 2 8.528 . . . . . . . . . . . . . c30342_6aza 1 29 1 3.612 . . . . . . . . . . . . . c30342_6aza 1 29 2 8.528 . . . . . . . . . . . . . c30342_6aza 1 30 1 2.776 . . . . . . . . . . . . . c30342_6aza 1 30 2 8.519 . . . . . . . . . . . . . c30342_6aza 1 31 1 2.686 . . . . . . . . . . . . . c30342_6aza 1 31 2 8.519 . . . . . . . . . . . . . c30342_6aza 1 32 1 3.449 . . . . . . . . . . . . . c30342_6aza 1 32 2 8.447 . . . . . . . . . . . . . c30342_6aza 1 33 1 3.882 . . . . . . . . . . . . . c30342_6aza 1 33 2 8.448 . . . . . . . . . . . . . c30342_6aza 1 34 1 3.817 . . . . . . . . . . . . . c30342_6aza 1 34 2 8.469 . . . . . . . . . . . . . c30342_6aza 1 35 1 4.183 . . . . . . . . . . . . . c30342_6aza 1 35 2 8.465 . . . . . . . . . . . . . c30342_6aza 1 36 1 4.455 . . . . . . . . . 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75 2 7.974 . . . . . . . . . . . . . c30342_6aza 1 76 1 1.197 . . . . . . . . . . . . . c30342_6aza 1 76 2 7.974 . . . . . . . . . . . . . c30342_6aza 1 77 1 1.416 . . . . . . . . . . . . . c30342_6aza 1 77 2 7.975 . . . . . . . . . . . . . c30342_6aza 1 78 1 1.583 . . . . . . . . . . . . . c30342_6aza 1 78 2 7.974 . . . . . . . . . . . . . c30342_6aza 1 79 1 2.058 . . . . . . . . . . . . . c30342_6aza 1 79 2 7.973 . . . . . . . . . . . . . c30342_6aza 1 80 1 2.748 . . . . . . . . . . . . . c30342_6aza 1 80 2 7.974 . . . . . . . . . . . . . c30342_6aza 1 81 1 2.743 . . . . . . . . . . . . . c30342_6aza 1 81 2 8.036 . . . . . . . . . . . . . c30342_6aza 1 82 1 2.99 . . . . . . . . . . . . . c30342_6aza 1 82 2 8.036 . . . . . . . . . . . . . c30342_6aza 1 83 1 3.573 . . . . . . . . . . . . . c30342_6aza 1 83 2 7.975 . . . . . . . . . . . . . c30342_6aza 1 84 1 3.452 . . . . . . . . . . . . . c30342_6aza 1 84 2 7.974 . . . . . . . . . . . . . c30342_6aza 1 85 1 1.329 . . . . . . . . . . . . . c30342_6aza 1 85 2 7.833 . . . . . . . . . . . . . c30342_6aza 1 86 1 1.405 . . . . . . . . . . . . . c30342_6aza 1 86 2 7.833 . . . . . . . . . . . . . c30342_6aza 1 87 1 1.572 . . . . . . . . . . . . . c30342_6aza 1 87 2 7.833 . . . . . . . . . . . . . c30342_6aza 1 88 1 1.624 . . . . . . . . . . . . . c30342_6aza 1 88 2 7.833 . . . . . . . . . . . . . c30342_6aza 1 89 1 3.448 . . . . . . . . . . . . . c30342_6aza 1 89 2 7.83 . . . . . . . . . . . . . c30342_6aza 1 90 1 3.889 . . . . . . . . . . . . . c30342_6aza 1 90 2 7.83 . . . . . . . . . . . . . c30342_6aza 1 91 1 4.294 . . . . . . . . . . . . . c30342_6aza 1 91 2 7.831 . . . . . . . . . . . . . c30342_6aza 1 92 1 4.43 . . . . . . . . . . . . . c30342_6aza 1 92 2 7.974 . . . . . . . . . . . . . c30342_6aza 1 93 1 4.278 . . . . . . . . . . . . . c30342_6aza 1 93 2 7.974 . . . . . . . . . . . . . c30342_6aza 1 94 1 4.136 . . . . . . . . . . . . . c30342_6aza 1 94 2 8.033 . . . . . . . . . . . . . c30342_6aza 1 95 1 4.436 . . . 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c30342_6aza 1 105 1 6.95 . . . . . . . . . . . . . c30342_6aza 1 105 2 7.303 . . . . . . . . . . . . . c30342_6aza 1 106 1 6.743 . . . . . . . . . . . . . c30342_6aza 1 106 2 7.455 . . . . . . . . . . . . . c30342_6aza 1 107 1 6.889 . . . . . . . . . . . . . c30342_6aza 1 107 2 7.462 . . . . . . . . . . . . . c30342_6aza 1 108 1 7.456 . . . . . . . . . . . . . c30342_6aza 1 108 2 6.74 . . . . . . . . . . . . . c30342_6aza 1 109 1 2.583 . . . . . . . . . . . . . c30342_6aza 1 109 2 7.456 . . . . . . . . . . . . . c30342_6aza 1 110 1 2.594 . . . . . . . . . . . . . c30342_6aza 1 110 2 6.741 . . . . . . . . . . . . . c30342_6aza 1 111 1 2.96 . . . . . . . . . . . . . c30342_6aza 1 111 2 7.017 . . . . . . . . . . . . . c30342_6aza 1 112 1 4.698 . . . . . . . . . . . . . c30342_6aza 1 112 2 7.024 . . . . . . . . . . . . . c30342_6aza 1 113 1 3.683 . . . . . . . . . . . . . c30342_6aza 1 113 2 7.3 . . . . . . . . . . . . . c30342_6aza 1 114 1 3.684 . . . . . . . . . . . . . c30342_6aza 1 114 2 6.95 . . . . . . . . . . . . . c30342_6aza 1 115 1 2.657 . . . . . . . . . . . . . c30342_6aza 1 115 2 7.453 . . . . . . . . . . . . . c30342_6aza 1 116 1 7.302 . . . . . . . . . . . . . c30342_6aza 1 116 2 3.683 . . . . . . . . . . . . . c30342_6aza 1 117 1 6.951 . . . . . . . . . . . . . c30342_6aza 1 117 2 3.684 . . . . . . . . . . . . . c30342_6aza 1 118 1 8.328 . . . . . . . . . . . . . c30342_6aza 1 118 2 4.338 . . . . . . . . . . . . . c30342_6aza 1 119 1 7.976 . . . . . . . . . . . . . c30342_6aza 1 119 2 4.276 . . . . . . . . . . . . . c30342_6aza 1 120 1 8.33 . . . . . . . . . . . . . c30342_6aza 1 120 2 4.1 . . . . . . . . . . . . . c30342_6aza 1 121 1 7.978 . . . . . . . . . . . . . c30342_6aza 1 121 2 1.561 . . . . . . . . . . . . . c30342_6aza 1 122 1 7.977 . . . . . . . . . . . . . c30342_6aza 1 122 2 1.364 . . . . . . . . . . . . . c30342_6aza 1 123 1 7.976 . . . . . . . . . . . . . c30342_6aza 1 123 2 1.198 . . . . . . . . . . . . . c30342_6aza 1 124 1 8.329 . . . . . . . . . . . . . c30342_6aza 1 124 2 1.193 . . . . . . . . . . . . . c30342_6aza 1 125 1 8.328 . . . . . . . . . . . . . c30342_6aza 1 125 2 1.661 . . . . . . . . . . . . . c30342_6aza 1 126 1 8.331 . . . . . . . . . . . . . c30342_6aza 1 126 2 1.564 . . . . . . . . . . . . . c30342_6aza 1 127 1 8.329 . . . . . . . . . . . . . c30342_6aza 1 127 2 2.048 . . . . . . . . . . . . . c30342_6aza 1 128 1 7.974 . . . . . . . . . . . . . c30342_6aza 1 128 2 2.055 . . . . . . . . . . . . . c30342_6aza 1 129 1 7.971 . . . . . . . . . . . . . c30342_6aza 1 129 2 1.822 . . . . . . . . . . . . . c30342_6aza 1 130 1 7.971 . . . . . . . . . . . . . c30342_6aza 1 130 2 1.742 . . . . . . . . . . . . . c30342_6aza 1 131 1 7.978 . . . . . . . . . . . . . c30342_6aza 1 131 2 1.614 . . . . . . . . . . . . . c30342_6aza 1 132 1 7.835 . . . . . . . . . . . . . c30342_6aza 1 132 2 1.627 . . . . . . . . . . . . . c30342_6aza 1 133 1 7.835 . . . . . . . . . . . . . c30342_6aza 1 133 2 1.574 . . . . . . . . . . . . . c30342_6aza 1 134 1 7.845 . . . . . . . . . . . . . c30342_6aza 1 134 2 1.409 . . . . . . . . . . . . . c30342_6aza 1 135 1 7.837 . . . . . . . . . . . . . c30342_6aza 1 135 2 1.328 . . . . . . . . . . . . . c30342_6aza 1 136 1 8.332 . . . . . . . . . . . . . c30342_6aza 1 136 2 2.631 . . . . . . . . . . . . . c30342_6aza 1 137 1 8.333 . . . . . . . . . . . . . c30342_6aza 1 137 2 2.586 . . . . . . . . . . . . . c30342_6aza 1 138 1 7.982 . . . . . . . . . . . . . c30342_6aza 1 138 2 3.567 . . . . . . . . . . . . . c30342_6aza 1 139 1 7.974 . . . . . . . . . . . . . c30342_6aza 1 139 2 3.459 . . . . . . . . . . . . . c30342_6aza 1 140 1 8.031 . . . . . . . . . . . . . c30342_6aza 1 140 2 4.135 . . . . . . . . . . . . . c30342_6aza 1 141 1 7.833 . . . . . . . . . . . . . c30342_6aza 1 141 2 3.902 . . . . . . . . . . . . . c30342_6aza 1 142 1 7.833 . . . . . . . . . . . . . c30342_6aza 1 142 2 3.87 . . . . . . . . . . . . . c30342_6aza 1 143 1 7.834 . . . . . . . . . . . . . c30342_6aza 1 143 2 3.46 . . . . . . . . . . . . . c30342_6aza 1 144 1 7.834 . . . . . . . . . . . . . c30342_6aza 1 144 2 3.43 . . . . . . . . . . . . . c30342_6aza 1 145 1 8.399 . . . . . . . . . . . . . c30342_6aza 1 145 2 3.685 . . . . . . . . . . . . . c30342_6aza 1 146 1 8.515 . . . . . . . . . . . . . c30342_6aza 1 146 2 2.761 . . . . . . . . . . . . . c30342_6aza 1 147 1 8.518 . . . . . . . . . . . . . c30342_6aza 1 147 2 2.68 . . . . . . . . . . . . . c30342_6aza 1 148 1 8.519 . . . . . . . . . . . . . c30342_6aza 1 148 2 2.805 . . . . . . . . . . . . . c30342_6aza 1 149 1 2.059 . . . . . . . . . . . . . c30342_6aza 1 149 2 4.279 . . . . . . . . . . . . . c30342_6aza 1 150 1 2.054 . . . . . . . . . . . . . c30342_6aza 1 150 2 4.102 . . . . . . . . . . . . . c30342_6aza 1 151 1 0.957 . . . . . . . . . . . . . c30342_6aza 1 151 2 4.183 . . . . . . . . . . . . . c30342_6aza 1 152 1 0.957 . . . . . . . . . . . . . c30342_6aza 1 152 2 3.806 . . . . . . . . . . . . . c30342_6aza 1 153 1 1.145 . . . . . . . . . . . . . c30342_6aza 1 153 2 3.872 . . . . . . . . . . . . . c30342_6aza 1 154 1 1.429 . . . . . . . . . . . . . c30342_6aza 1 154 2 3.816 . . . . . . . . . . . . . c30342_6aza 1 155 1 1.693 . . . . . . . . . . . . . c30342_6aza 1 155 2 3.822 . . . . . . . . . . . . . c30342_6aza 1 156 1 1.689 . . . . . . . . . . . . . c30342_6aza 1 156 2 3.872 . . . . . . . . . . . . . c30342_6aza 1 157 1 1.603 . . . . . . . . . . . . . c30342_6aza 1 157 2 3.87 . . . . . . . . . . . . . c30342_6aza 1 158 1 2.589 . . . . . . . . . . . . . c30342_6aza 1 158 2 4.337 . . . . . . . . . . . . . c30342_6aza 1 159 1 2.989 . . . . . . . . . . . . . c30342_6aza 1 159 2 4.423 . . . . . . . . . . . . . c30342_6aza 1 160 1 2.743 . . . . . . . . . . . . . c30342_6aza 1 160 2 4.428 . . . . . . . . . . . . . c30342_6aza 1 161 1 3.571 . . . . . . . . . . . . . c30342_6aza 1 161 2 4.408 . . . . . . . . . . . . . c30342_6aza 1 162 1 3.456 . . . . . . . . . . . . . c30342_6aza 1 162 2 4.407 . . . . . . . . . . . . . c30342_6aza 1 163 1 3.603 . . . . . . . . . . . . . c30342_6aza 1 163 2 4.257 . . . . . . . . . . . . . c30342_6aza 1 164 1 3.809 . . . . . . . . . . . . . c30342_6aza 1 164 2 4.184 . . . . . . . . . . . . . c30342_6aza 1 165 1 3.636 . . . . . . . . . . . . . c30342_6aza 1 165 2 4.188 . . . . . . . . . . . . . c30342_6aza 1 166 1 3.451 . . . . . . . . . . . . . c30342_6aza 1 166 2 3.904 . . . . . . . . . . . . . c30342_6aza 1 167 1 3.451 . . . . . . . . . . . . . c30342_6aza 1 167 2 3.872 . . . . . . . . . . . . . c30342_6aza 1 168 1 1.196 . . . . . . . . . . . . . c30342_6aza 1 168 2 3.562 . . . . . . . . . . . . . c30342_6aza 1 169 1 2.054 . . . . . . . . . . . . . c30342_6aza 1 169 2 3.573 . . . . . . . . . . . . . c30342_6aza 1 170 1 1.781 . . . . . . . . . . . . . c30342_6aza 1 170 2 3.57 . . . . . . . . . . . . . c30342_6aza 1 171 1 1.615 . . . . . . . . . . . . . c30342_6aza 1 171 2 3.573 . . . . . . . . . . . . . c30342_6aza 1 172 1 1.502 . . . . . . . . . . . . . c30342_6aza 1 172 2 3.574 . . . . . . . . . . . . . c30342_6aza 1 173 1 1.417 . . . . . . . . . . . . . c30342_6aza 1 173 2 3.572 . . . . . . . . . . . . . c30342_6aza 1 174 1 1.198 . . . . . . . . . . . . . c30342_6aza 1 174 2 3.46 . . . . . . . . . . . . . c30342_6aza 1 175 1 1.5 . . . . . . . . . . . . . c30342_6aza 1 175 2 3.418 . . . . . . . . . . . . . c30342_6aza 1 176 1 1.422 . . . . . . . . . . . . . c30342_6aza 1 176 2 3.419 . . . . . . . . . . . . . c30342_6aza 1 177 1 1.616 . . . . . . . . . . . . . c30342_6aza 1 177 2 3.419 . . . . . . . . . . . . . c30342_6aza 1 178 1 1.766 . . . . . . . . . . . . . c30342_6aza 1 178 2 3.418 . . . . . . . . . . . . . c30342_6aza 1 179 1 1.83 . . . . . . . . . . . . . c30342_6aza 1 179 2 3.416 . . . . . . . . . . . . . c30342_6aza 1 180 1 2.054 . . . . . . . . . . . . . c30342_6aza 1 180 2 3.444 . . . . . . . . . . . . . c30342_6aza 1 181 1 2.053 . . . . . . . . . . . . . c30342_6aza 1 181 2 3.424 . . . . . . . . . . . . . c30342_6aza 1 182 1 1.787 . . . . . . . . . . . . . c30342_6aza 1 182 2 3.453 . . . . . . . . . . . . . c30342_6aza 1 183 1 1.655 . . . . . . . . . . . . . c30342_6aza 1 183 2 3.455 . . . . . . . . . . . . . c30342_6aza 1 184 1 1.596 . . . . . . . . . . . . . c30342_6aza 1 184 2 3.458 . . . . . . . . . . . . . c30342_6aza 1 185 1 1.437 . . . . . . . . . . . . . c30342_6aza 1 185 2 3.458 . . . . . . . . . . . . . c30342_6aza 1 186 1 1.363 . . . . . . . . . . . . . c30342_6aza 1 186 2 3.46 . . . . . . . . . . . . . c30342_6aza 1 187 1 4.255 . . . . . . . . . . . . . c30342_6aza 1 187 2 3.554 . . . . . . . . . . . . . c30342_6aza 1 188 1 4.253 . . . . . . . . . . . . . c30342_6aza 1 188 2 3.607 . . . . . . . . . . . . . c30342_6aza 1 189 1 4.412 . . . . . . . . . . . . . c30342_6aza 1 189 2 3.566 . . . . . . . . . . . . . c30342_6aza 1 190 1 4.412 . . . . . . . . . . . . . c30342_6aza 1 190 2 3.46 . . . . . . . . . . . . . c30342_6aza 1 191 1 4.551 . . . . . . . . . . . . . c30342_6aza 1 191 2 3.418 . . . . . . . . . . . . . c30342_6aza 1 192 1 4.55 . . . . . . . . . . . . . c30342_6aza 1 192 2 3.577 . . . . . . . . . . . . . c30342_6aza 1 193 1 3.889 . . . . . . . . . . . . . c30342_6aza 1 193 2 3.461 . . . . . . . . . . . . . c30342_6aza 1 194 1 3.889 . . . . . . . . . . . . . c30342_6aza 1 194 2 3.433 . . . . . . . . . . . . . c30342_6aza 1 195 1 4.469 . . . . . . . . . . . . . c30342_6aza 1 195 2 3.091 . . . . . . . . . . . . . c30342_6aza 1 196 1 4.959 . . . . . . . . . . . . . c30342_6aza 1 196 2 2.823 . . . . . . . . . . . . . c30342_6aza 1 197 1 4.94 . . . . . . . . . . . . . c30342_6aza 1 197 2 2.753 . . . . . . . . . . . . . c30342_6aza 1 198 1 4.933 . . . . . . . . . . . . . c30342_6aza 1 198 2 2.681 . . . . . . . . . . . . . c30342_6aza 1 199 1 4.342 . . . . . . . . . . . . . c30342_6aza 1 199 2 2.629 . . . . . . . . . . . . . c30342_6aza 1 200 1 4.34 . . . . . . . . . . . . . c30342_6aza 1 200 2 2.584 . . . . . . . . . . . . . c30342_6aza 1 201 1 4.465 . . . . . . . . . . . . . c30342_6aza 1 201 2 2.819 . . . . . . . . . . . . . c30342_6aza 1 202 1 4.438 . . . . . . . . . . . . . c30342_6aza 1 202 2 2.748 . . . . . . . . . . . . . c30342_6aza 1 203 1 4.451 . . . . . . . . . . . . . c30342_6aza 1 203 2 4.275 . . . . . . . . . . . . . c30342_6aza 1 204 1 1.781 . . . . . . . . . . . . . c30342_6aza 1 204 2 4.1 . . . . . . . . . . . . . c30342_6aza 1 205 1 1.66 . . . . . . . . . . . . . c30342_6aza 1 205 2 4.101 . . . . . . . . . . . . . c30342_6aza 1 206 1 1.423 . . . . . . . . . . . . . c30342_6aza 1 206 2 3.866 . . . . . . . . . . . . . c30342_6aza 1 207 1 3.576 . . . . . . . . . . . . . c30342_6aza 1 207 2 2.049 . . . . . . . . . . . . . c30342_6aza 1 208 1 3.435 . . . . . . . . . . . . . c30342_6aza 1 208 2 2.048 . . . . . . . . . . . . . c30342_6aza 1 209 1 4.279 . . . . . . . . . . . . . c30342_6aza 1 209 2 2.055 . . . . . . . . . . . . . c30342_6aza 1 210 1 4.105 . . . . . . . . . . . . . c30342_6aza 1 210 2 2.05 . . . . . . . . . . . . . c30342_6aza 1 211 1 1.644 . . . . . . . . . . . . . c30342_6aza 1 211 2 2.055 . . . . . . . . . . . . . c30342_6aza 1 212 1 4.553 . . . . . . . . . . . . . c30342_6aza 1 212 2 1.824 . . . . . . . . . . . . . c30342_6aza 1 213 1 4.552 . . . . . . . . . . . . . c30342_6aza 1 213 2 1.744 . . . . . . . . . . . . . c30342_6aza 1 214 1 4.55 . . . . . . . . . . . . . c30342_6aza 1 214 2 1.607 . . . . . . . . . . . . . c30342_6aza 1 215 1 4.551 . . . . . . . . . . . . . c30342_6aza 1 215 2 1.502 . . . . . . . . . . . . . c30342_6aza 1 216 1 4.549 . . . . . . . . . . . . . c30342_6aza 1 216 2 1.416 . . . . . . . . . . . . . c30342_6aza 1 217 1 4.283 . . . . . . . . . . . . . c30342_6aza 1 217 2 1.619 . . . . . . . . . . . . . c30342_6aza 1 218 1 3.878 . . . . . . . . . . . . . c30342_6aza 1 218 2 1.605 . . . . . . . . . . . . . c30342_6aza 1 219 1 4.42 . . . . . . . . . . . . . c30342_6aza 1 219 2 1.196 . . . . . . . . . . . . . c30342_6aza 1 220 1 4.459 . . . . . . . . . . . . . c30342_6aza 1 220 2 1.134 . . . . . . . . . . . . . c30342_6aza 1 221 1 2.746 . . . . . . . . . . . . . c30342_6aza 1 221 2 1.196 . . . . . . . . . . . . . c30342_6aza 1 222 1 2.698 . . . . . . . . . . . . . c30342_6aza 1 222 2 1.135 . . . . . . . . . . . . . c30342_6aza 1 223 1 3.571 . . . . . . . . . . . . . c30342_6aza 1 223 2 1.196 . . . . . . . . . . . . . c30342_6aza 1 224 1 3.462 . . . . . . . . . . . . . c30342_6aza 1 224 2 1.196 . . . . . . . . . . . . . c30342_6aza 1 225 1 3.875 . . . . . . . . . . . . . c30342_6aza 1 225 2 1.197 . . . . . . . . . . . . . c30342_6aza 1 226 1 3.877 . . . . . . . . . . . . . c30342_6aza 1 226 2 1.136 . . . . . . . . . . . . . c30342_6aza 1 227 1 4.276 . . . . . . . . . . . . . c30342_6aza 1 227 2 1.828 . . . . . . . . . . . . . c30342_6aza 1 228 1 4.279 . . . . . . . . . . . . . c30342_6aza 1 228 2 1.743 . . . . . . . . . . . . . c30342_6aza 1 229 1 1.191 . . . . . . . . . . . . . c30342_6aza 1 229 2 2.745 . . . . . . . . . . . . . c30342_6aza 1 230 1 1.125 . . . . . . . . . . . . . c30342_6aza 1 230 2 2.7 . . . . . . . . . . . . . c30342_6aza 1 231 1 1.622 . . . . . . . . . . . . . c30342_6aza 1 231 2 2.959 . . . . . . . . . . . . . c30342_6aza 1 232 1 1.571 . . . . . . . . . . . . . c30342_6aza 1 232 2 2.959 . . . . . . . . . . . . . c30342_6aza 1 233 1 7.456 . . . . . . . . . . . . . c30342_6aza 1 233 2 2.63 . . . . . . . . . . . . . c30342_6aza 1 234 1 7.458 . . . . . . . . . . . . . c30342_6aza 1 234 2 2.585 . . . . . . . . . . . . . c30342_6aza 1 235 1 3.812 . . . . . . . . . . . . . c30342_6aza 1 235 2 0.958 . . . . . . . . . . . . . c30342_6aza 1 236 1 4.185 . . . . . . . . . . . . . c30342_6aza 1 236 2 0.955 . . . . . . . . . . . . . c30342_6aza 1 237 1 1.629 . . . . . . . . . . . . . c30342_6aza 1 237 2 4.288 . . . . . . . . . . . . . c30342_6aza 1 238 1 1.571 . . . . . . . . . . . . . c30342_6aza 1 238 2 4.289 . . . . . . . . . . . . . c30342_6aza 1 239 1 1.399 . . . . . . . . . . . . . c30342_6aza 1 239 2 4.288 . . . . . . . . . . . . . c30342_6aza 1 240 1 1.326 . . . . . . . . . . . . . c30342_6aza 1 240 2 4.287 . . . . . . . . . . . . . c30342_6aza 1 241 1 2.965 . . . . . . . . . . . . . c30342_6aza 1 241 2 4.292 . . . . . . . . . . . . . c30342_6aza 1 242 1 1.327 . . . . . . . . . . . . . c30342_6aza 1 242 2 2.959 . . . . . . . . . . . . . c30342_6aza 1 243 1 1.402 . . . . . . . . . . . . . c30342_6aza 1 243 2 2.959 . . . . . . . . . . . . . c30342_6aza 1 244 1 1.693 . . . . . . . . . . . . . c30342_6aza 1 244 2 2.979 . . . . . . . . . . . . . c30342_6aza 1 245 1 1.429 . . . . . . . . . . . . . c30342_6aza 1 245 2 2.979 . . . . . . . . . . . . . c30342_6aza 1 246 1 1.496 . . . . . . . . . . . . . c30342_6aza 1 246 2 2.965 . . . . . . . . . . . . . c30342_6aza 1 247 1 1.416 . . . . . . . . . . . . . c30342_6aza 1 247 2 2.965 . . . . . . . . . . . . . c30342_6aza 1 248 1 1.609 . . . . . . . . . . . . . c30342_6aza 1 248 2 2.965 . . . . . . . . . . . . . c30342_6aza 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 c30342_6aza _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 20 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 c30342_6aza _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 . . . c30342_6aza 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 . . . . c30342_6aza 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 ARG C C 1.810 1.260 -2.054 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30342_6aza 1 . 1 . 2 . 1 1 1 ARG CA C 2.093 0.000 -1.242 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30342_6aza 1 . 1 . 3 . 1 1 1 ARG CB C 1.758 -1.241 -2.071 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30342_6aza 1 . 1 . 4 . 1 1 1 ARG CD C -0.378 -2.238 -1.200 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30342_6aza 1 . 1 . 5 . 1 1 1 ARG CG C 0.269 -1.428 -2.313 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30342_6aza 1 . 1 . 6 . 1 1 1 ARG CZ C -2.185 -3.883 -0.934 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30342_6aza 1 . 1 . 7 . 1 1 1 ARG H1 H 1.807 0.001 0.855 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30342_6aza 1 . 1 . 8 . 1 1 1 ARG HA H 3.142 -0.021 -0.986 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30342_6aza 1 . 1 . 9 . 1 1 1 ARG HB2 H 2.249 -1.162 -3.031 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30342_6aza 1 . 1 . 10 . 1 1 1 ARG HB3 H 2.130 -2.114 -1.557 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30342_6aza 1 . 1 . 11 . 1 1 1 ARG HD2 H 0.351 -2.929 -0.805 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30342_6aza 1 . 1 . 12 . 1 1 1 ARG HD3 H -0.693 -1.562 -0.419 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30342_6aza 1 . 1 . 13 . 1 1 1 ARG HE H -1.846 -2.820 -2.587 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30342_6aza 1 . 1 . 14 . 1 1 1 ARG HG2 H -0.204 -0.458 -2.359 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30342_6aza 1 . 1 . 15 . 1 1 1 ARG HG3 H 0.129 -1.945 -3.251 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30342_6aza 1 . 1 . 16 . 1 1 1 ARG HH11 H -1.002 -3.650 0.687 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30342_6aza 1 . 1 . 17 . 1 1 1 ARG HH12 H -2.280 -4.807 0.861 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30342_6aza 1 . 1 . 18 . 1 1 1 ARG HH21 H -3.532 -4.341 -2.370 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30342_6aza 1 . 1 . 19 . 1 1 1 ARG HH22 H -3.718 -5.200 -0.879 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30342_6aza 1 . 1 . 20 . 1 1 1 ARG N N 1.329 0.000 0.000 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30342_6aza 1 . 1 . 21 . 1 1 1 ARG NE N -1.537 -2.990 -1.673 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30342_6aza 1 . 1 . 22 . 1 1 1 ARG NH1 N -1.790 -4.134 0.306 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30342_6aza 1 . 1 . 23 . 1 1 1 ARG NH2 N -3.231 -4.528 -1.435 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30342_6aza 1 . 1 . 24 . 1 1 1 ARG O O 1.526 1.190 -3.251 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30342_6aza 1 . 1 . 25 . 1 1 2 CYS C C 2.951 4.357 -2.458 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c30342_6aza 1 . 1 . 26 . 1 1 2 CYS CA C 1.640 3.688 -2.056 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c30342_6aza 1 . 1 . 27 . 1 1 2 CYS CB C 0.842 4.615 -1.136 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c30342_6aza 1 . 1 . 28 . 1 1 2 CYS H H 2.118 2.404 -0.443 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c30342_6aza 1 . 1 . 29 . 1 1 2 CYS HA H 1.061 3.494 -2.947 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c30342_6aza 1 . 1 . 30 . 1 1 2 CYS HB2 H 0.119 4.029 -0.588 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c30342_6aza 1 . 1 . 31 . 1 1 2 CYS HB3 H 1.518 5.087 -0.439 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c30342_6aza 1 . 1 . 32 . 1 1 2 CYS N N 1.888 2.412 -1.397 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c30342_6aza 1 . 1 . 33 . 1 1 2 CYS O O 3.038 4.999 -3.505 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c30342_6aza 1 . 1 . 34 . 1 1 2 CYS SG S -0.063 5.932 -2.011 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c30342_6aza 1 . 1 . 35 . 1 1 3 LYS C C 5.890 4.200 -3.150 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . c30342_6aza 1 . 1 . 36 . 1 1 3 LYS CA C 5.277 4.789 -1.884 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . c30342_6aza 1 . 1 . 37 . 1 1 3 LYS CB C 6.213 4.559 -0.696 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . c30342_6aza 1 . 1 . 38 . 1 1 3 LYS CD C 8.460 4.991 0.341 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . c30342_6aza 1 . 1 . 39 . 1 1 3 LYS CE C 9.306 3.797 -0.075 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . c30342_6aza 1 . 1 . 40 . 1 1 3 LYS CG C 7.484 5.389 -0.753 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . c30342_6aza 1 . 1 . 41 . 1 1 3 LYS H H 3.837 3.679 -0.799 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . c30342_6aza 1 . 1 . 42 . 1 1 3 LYS HA H 5.142 5.851 -2.025 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . c30342_6aza 1 . 1 . 43 . 1 1 3 LYS HB2 H 5.687 4.805 0.215 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . c30342_6aza 1 . 1 . 44 . 1 1 3 LYS HB3 H 6.492 3.515 -0.669 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . c30342_6aza 1 . 1 . 45 . 1 1 3 LYS HD2 H 9.113 5.825 0.551 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . c30342_6aza 1 . 1 . 46 . 1 1 3 LYS HD3 H 7.904 4.734 1.232 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . c30342_6aza 1 . 1 . 47 . 1 1 3 LYS HE2 H 8.692 2.910 -0.047 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . c30342_6aza 1 . 1 . 48 . 1 1 3 LYS HE3 H 9.661 3.958 -1.082 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . c30342_6aza 1 . 1 . 49 . 1 1 3 LYS HG2 H 7.956 5.243 -1.713 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . c30342_6aza 1 . 1 . 50 . 1 1 3 LYS HG3 H 7.227 6.432 -0.631 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . c30342_6aza 1 . 1 . 51 . 1 1 3 LYS HZ1 H 10.198 3.778 1.814 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 1 . 52 . 1 1 3 LYS HZ2 H 11.236 4.268 0.572 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 1 . 53 . 1 1 3 LYS HZ3 H 10.836 2.634 0.744 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 1 . 54 . 1 1 3 LYS N N 3.969 4.202 -1.618 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . c30342_6aza 1 . 1 . 55 . 1 1 3 LYS NZ N 10.476 3.606 0.827 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . c30342_6aza 1 . 1 . 56 . 1 1 3 LYS O O 5.910 2.982 -3.335 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . c30342_6aza 1 . 1 . 57 . 1 1 4 THR C C 8.417 5.196 -5.411 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30342_6aza 1 . 1 . 58 . 1 1 4 THR CA C 7.007 4.636 -5.268 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30342_6aza 1 . 1 . 59 . 1 1 4 THR CB C 6.170 5.069 -6.487 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30342_6aza 1 . 1 . 60 . 1 1 4 THR CG2 C 6.728 4.468 -7.768 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30342_6aza 1 . 1 . 61 . 1 1 4 THR H H 6.347 6.028 -3.817 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30342_6aza 1 . 1 . 62 . 1 1 4 THR HA H 7.057 3.557 -5.257 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30342_6aza 1 . 1 . 63 . 1 1 4 THR HB H 6.207 6.146 -6.566 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30342_6aza 1 . 1 . 64 . 1 1 4 THR HG1 H 4.759 3.701 -6.316 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30342_6aza 1 . 1 . 65 . 1 1 4 THR HG21 H 5.928 4.004 -8.327 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30342_6aza 1 . 1 . 66 . 1 1 4 THR HG22 H 7.473 3.726 -7.522 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30342_6aza 1 . 1 . 67 . 1 1 4 THR HG23 H 7.178 5.247 -8.364 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30342_6aza 1 . 1 . 68 . 1 1 4 THR N N 6.392 5.071 -4.020 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30342_6aza 1 . 1 . 69 . 1 1 4 THR O O 8.700 6.314 -4.977 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30342_6aza 1 . 1 . 70 . 1 1 4 THR OG1 O 4.808 4.660 -6.316 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30342_6aza 1 . 1 . 71 . 1 1 5 CYS C C 10.930 5.215 -7.677 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30342_6aza 1 . 1 . 72 . 1 1 5 CYS CA C 10.683 4.831 -6.221 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30342_6aza 1 . 1 . 73 . 1 1 5 CYS CB C 11.641 3.711 -5.808 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30342_6aza 1 . 1 . 74 . 1 1 5 CYS H H 9.016 3.532 -6.345 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30342_6aza 1 . 1 . 75 . 1 1 5 CYS HA H 10.863 5.694 -5.599 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30342_6aza 1 . 1 . 76 . 1 1 5 CYS HB2 H 11.161 2.758 -5.977 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30342_6aza 1 . 1 . 77 . 1 1 5 CYS HB3 H 12.534 3.771 -6.412 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30342_6aza 1 . 1 . 78 . 1 1 5 CYS N N 9.301 4.413 -6.021 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30342_6aza 1 . 1 . 79 . 1 1 5 CYS O O 10.726 4.410 -8.586 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30342_6aza 1 . 1 . 80 . 1 1 5 CYS SG S 12.147 3.773 -4.060 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30342_6aza 1 . 1 . 81 . 1 1 6 SER C C 12.735 6.118 -9.907 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . c30342_6aza 1 . 1 . 82 . 1 1 6 SER CA C 11.641 6.944 -9.236 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . c30342_6aza 1 . 1 . 83 . 1 1 6 SER CB C 12.054 8.416 -9.189 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . c30342_6aza 1 . 1 . 84 . 1 1 6 SER H H 11.513 7.046 -7.125 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . c30342_6aza 1 . 1 . 85 . 1 1 6 SER HA H 10.733 6.852 -9.812 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . c30342_6aza 1 . 1 . 86 . 1 1 6 SER HB2 H 13.120 8.484 -9.031 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . c30342_6aza 1 . 1 . 87 . 1 1 6 SER HB3 H 11.799 8.889 -10.126 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . c30342_6aza 1 . 1 . 88 . 1 1 6 SER HG H 10.739 9.697 -8.506 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . c30342_6aza 1 . 1 . 89 . 1 1 6 SER N N 11.370 6.451 -7.891 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . c30342_6aza 1 . 1 . 90 . 1 1 6 SER O O 13.392 5.298 -9.265 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . c30342_6aza 1 . 1 . 91 . 1 1 6 SER OG O 11.392 9.098 -8.138 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . c30342_6aza 1 . 1 . 92 . 1 1 7 LYS C C 15.342 6.044 -11.537 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30342_6aza 1 . 1 . 93 . 1 1 7 LYS CA C 13.940 5.621 -11.963 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30342_6aza 1 . 1 . 94 . 1 1 7 LYS CB C 13.755 5.868 -13.462 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30342_6aza 1 . 1 . 95 . 1 1 7 LYS CD C 11.312 5.329 -13.692 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30342_6aza 1 . 1 . 96 . 1 1 7 LYS CE C 10.294 4.901 -14.737 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30342_6aza 1 . 1 . 97 . 1 1 7 LYS CG C 12.726 4.956 -14.106 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30342_6aza 1 . 1 . 98 . 1 1 7 LYS H H 12.370 7.009 -11.659 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30342_6aza 1 . 1 . 99 . 1 1 7 LYS HA H 13.818 4.567 -11.763 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30342_6aza 1 . 1 . 100 . 1 1 7 LYS HB2 H 13.441 6.891 -13.610 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30342_6aza 1 . 1 . 101 . 1 1 7 LYS HB3 H 14.702 5.715 -13.959 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30342_6aza 1 . 1 . 102 . 1 1 7 LYS HD2 H 11.079 4.841 -12.757 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30342_6aza 1 . 1 . 103 . 1 1 7 LYS HD3 H 11.255 6.401 -13.564 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30342_6aza 1 . 1 . 104 . 1 1 7 LYS HE2 H 10.377 5.556 -15.591 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30342_6aza 1 . 1 . 105 . 1 1 7 LYS HE3 H 10.511 3.887 -15.039 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30342_6aza 1 . 1 . 106 . 1 1 7 LYS HG2 H 12.808 5.037 -15.180 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30342_6aza 1 . 1 . 107 . 1 1 7 LYS HG3 H 12.922 3.937 -13.804 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30342_6aza 1 . 1 . 108 . 1 1 7 LYS HZ1 H 8.653 4.063 -13.752 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 1 . 109 . 1 1 7 LYS HZ2 H 8.234 5.135 -14.991 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 1 . 110 . 1 1 7 LYS HZ3 H 8.814 5.731 -13.518 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 1 . 111 . 1 1 7 LYS N N 12.926 6.342 -11.203 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30342_6aza 1 . 1 . 112 . 1 1 7 LYS NZ N 8.901 4.962 -14.213 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30342_6aza 1 . 1 . 113 . 1 1 7 LYS O O 15.909 6.989 -12.084 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30342_6aza 1 . 1 . 114 . 1 1 8 GLY C C 17.208 6.344 -8.726 . . . 1.0 . . . . . . . . . . . . A . 8 GLY C . . . . . . . . . c30342_6aza 1 . 1 . 115 . 1 1 8 GLY CA C 17.229 5.654 -10.075 . . . 1.0 . . . . . . . . . . . . A . 8 GLY CA . . . . . . . . . c30342_6aza 1 . 1 . 116 . 1 1 8 GLY H H 15.397 4.594 -10.157 . . . 1.0 . . . . . . . . . . . . A . 8 GLY H . . . . . . . . . c30342_6aza 1 . 1 . 117 . 1 1 8 GLY HA2 H 17.796 4.739 -9.992 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA2 . . . . . . . . . c30342_6aza 1 . 1 . 118 . 1 1 8 GLY HA3 H 17.713 6.302 -10.791 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA3 . . . . . . . . . c30342_6aza 1 . 1 . 119 . 1 1 8 GLY N N 15.897 5.337 -10.557 . . . 1.0 . . . . . . . . . . . . A . 8 GLY N . . . . . . . . . c30342_6aza 1 . 1 . 120 . 1 1 8 GLY O O 18.164 6.246 -7.957 . . . 1.0 . . . . . . . . . . . . A . 8 GLY O . . . . . . . . . c30342_6aza 1 . 1 . 121 . 1 1 9 ARG C C 14.863 7.149 -6.327 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c30342_6aza 1 . 1 . 122 . 1 1 9 ARG CA C 15.977 7.757 -7.174 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c30342_6aza 1 . 1 . 123 . 1 1 9 ARG CB C 15.689 9.238 -7.427 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c30342_6aza 1 . 1 . 124 . 1 1 9 ARG CD C 16.557 11.374 -8.427 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c30342_6aza 1 . 1 . 125 . 1 1 9 ARG CG C 16.926 10.047 -7.783 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c30342_6aza 1 . 1 . 126 . 1 1 9 ARG CZ C 17.592 13.557 -8.886 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c30342_6aza 1 . 1 . 127 . 1 1 9 ARG H H 15.388 7.086 -9.092 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c30342_6aza 1 . 1 . 128 . 1 1 9 ARG HA H 16.910 7.668 -6.638 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c30342_6aza 1 . 1 . 129 . 1 1 9 ARG HB2 H 14.985 9.322 -8.241 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c30342_6aza 1 . 1 . 130 . 1 1 9 ARG HB3 H 15.251 9.665 -6.537 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c30342_6aza 1 . 1 . 131 . 1 1 9 ARG HD2 H 16.282 11.196 -9.456 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c30342_6aza 1 . 1 . 132 . 1 1 9 ARG HD3 H 15.716 11.795 -7.897 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c30342_6aza 1 . 1 . 133 . 1 1 9 ARG HE H 18.503 12.032 -7.979 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c30342_6aza 1 . 1 . 134 . 1 1 9 ARG HG2 H 17.490 10.241 -6.882 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c30342_6aza 1 . 1 . 135 . 1 1 9 ARG HG3 H 17.531 9.477 -8.473 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c30342_6aza 1 . 1 . 136 . 1 1 9 ARG HH11 H 15.677 13.377 -9.503 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c30342_6aza 1 . 1 . 137 . 1 1 9 ARG HH12 H 16.417 14.911 -9.820 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c30342_6aza 1 . 1 . 138 . 1 1 9 ARG HH21 H 19.489 14.047 -8.391 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c30342_6aza 1 . 1 . 139 . 1 1 9 ARG HH22 H 18.586 15.290 -9.188 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c30342_6aza 1 . 1 . 140 . 1 1 9 ARG N N 16.117 7.045 -8.438 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c30342_6aza 1 . 1 . 141 . 1 1 9 ARG NE N 17.665 12.326 -8.392 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c30342_6aza 1 . 1 . 142 . 1 1 9 ARG NH1 N 16.470 13.983 -9.450 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c30342_6aza 1 . 1 . 143 . 1 1 9 ARG NH2 N 18.642 14.365 -8.816 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c30342_6aza 1 . 1 . 144 . 1 1 9 ARG O O 13.916 6.565 -6.855 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c30342_6aza 1 . 1 . 145 . 1 1 10 CYS C C 13.530 7.823 -3.102 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30342_6aza 1 . 1 . 146 . 1 1 10 CYS CA C 13.987 6.754 -4.091 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30342_6aza 1 . 1 . 147 . 1 1 10 CYS CB C 14.556 5.553 -3.334 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30342_6aza 1 . 1 . 148 . 1 1 10 CYS H H 15.760 7.766 -4.650 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30342_6aza 1 . 1 . 149 . 1 1 10 CYS HA H 13.136 6.432 -4.672 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30342_6aza 1 . 1 . 150 . 1 1 10 CYS HB2 H 15.628 5.661 -3.256 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30342_6aza 1 . 1 . 151 . 1 1 10 CYS HB3 H 14.129 5.526 -2.342 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30342_6aza 1 . 1 . 152 . 1 1 10 CYS N N 14.982 7.290 -5.011 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30342_6aza 1 . 1 . 153 . 1 1 10 CYS O O 14.288 8.235 -2.223 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30342_6aza 1 . 1 . 154 . 1 1 10 CYS SG S 14.219 3.947 -4.127 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30342_6aza 1 . 1 . 155 . 1 1 11 ARG C C 10.260 9.001 -2.069 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . c30342_6aza 1 . 1 . 156 . 1 1 11 ARG CA C 11.728 9.287 -2.372 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . c30342_6aza 1 . 1 . 157 . 1 1 11 ARG CB C 11.868 10.671 -3.009 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . c30342_6aza 1 . 1 . 158 . 1 1 11 ARG CD C 14.264 11.063 -3.660 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . c30342_6aza 1 . 1 . 159 . 1 1 11 ARG CG C 13.167 11.376 -2.654 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . c30342_6aza 1 . 1 . 160 . 1 1 11 ARG CZ C 14.833 13.221 -4.689 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . c30342_6aza 1 . 1 . 161 . 1 1 11 ARG H H 11.730 7.899 -3.970 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . c30342_6aza 1 . 1 . 162 . 1 1 11 ARG HA H 12.284 9.268 -1.447 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . c30342_6aza 1 . 1 . 163 . 1 1 11 ARG HB2 H 11.823 10.566 -4.083 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . c30342_6aza 1 . 1 . 164 . 1 1 11 ARG HB3 H 11.046 11.289 -2.681 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . c30342_6aza 1 . 1 . 165 . 1 1 11 ARG HD2 H 15.217 11.096 -3.154 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . c30342_6aza 1 . 1 . 166 . 1 1 11 ARG HD3 H 14.099 10.071 -4.053 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . c30342_6aza 1 . 1 . 167 . 1 1 11 ARG HE H 13.859 11.742 -5.607 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . c30342_6aza 1 . 1 . 168 . 1 1 11 ARG HG2 H 12.996 12.443 -2.646 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . c30342_6aza 1 . 1 . 169 . 1 1 11 ARG HG3 H 13.485 11.053 -1.674 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . c30342_6aza 1 . 1 . 170 . 1 1 11 ARG HH11 H 15.432 13.009 -2.772 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . c30342_6aza 1 . 1 . 171 . 1 1 11 ARG HH12 H 15.828 14.526 -3.509 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . c30342_6aza 1 . 1 . 172 . 1 1 11 ARG HH21 H 14.374 13.736 -6.589 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . c30342_6aza 1 . 1 . 173 . 1 1 11 ARG HH22 H 15.225 14.939 -5.681 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . c30342_6aza 1 . 1 . 174 . 1 1 11 ARG N N 12.286 8.266 -3.251 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . c30342_6aza 1 . 1 . 175 . 1 1 11 ARG NE N 14.281 12.016 -4.766 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . c30342_6aza 1 . 1 . 176 . 1 1 11 ARG NH1 N 15.411 13.618 -3.564 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . c30342_6aza 1 . 1 . 177 . 1 1 11 ARG NH2 N 14.809 14.032 -5.739 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . c30342_6aza 1 . 1 . 178 . 1 1 11 ARG O O 9.588 8.255 -2.782 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . c30342_6aza 1 . 1 . 179 . 1 1 12 PRO C C 7.374 10.097 -1.520 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . c30342_6aza 1 . 1 . 180 . 1 1 12 PRO CA C 8.357 9.431 -0.564 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . c30342_6aza 1 . 1 . 181 . 1 1 12 PRO CB C 8.314 10.110 0.807 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . c30342_6aza 1 . 1 . 182 . 1 1 12 PRO CD C 10.494 10.507 -0.090 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . c30342_6aza 1 . 1 . 183 . 1 1 12 PRO CG C 9.417 11.110 0.769 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . c30342_6aza 1 . 1 . 184 . 1 1 12 PRO HA H 8.103 8.386 -0.458 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . c30342_6aza 1 . 1 . 185 . 1 1 12 PRO HB2 H 7.353 10.586 0.946 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . c30342_6aza 1 . 1 . 186 . 1 1 12 PRO HB3 H 8.474 9.376 1.582 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . c30342_6aza 1 . 1 . 187 . 1 1 12 PRO HD2 H 11.003 11.276 -0.653 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . c30342_6aza 1 . 1 . 188 . 1 1 12 PRO HD3 H 11.195 9.954 0.517 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . c30342_6aza 1 . 1 . 189 . 1 1 12 PRO HG2 H 9.063 12.032 0.333 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . c30342_6aza 1 . 1 . 190 . 1 1 12 PRO HG3 H 9.789 11.284 1.768 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . c30342_6aza 1 . 1 . 191 . 1 1 12 PRO N N 9.750 9.605 -0.986 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . c30342_6aza 1 . 1 . 192 . 1 1 12 PRO O O 7.762 10.909 -2.360 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . c30342_6aza 1 . 1 . 193 . 1 1 13 LYS C C 4.611 11.677 -1.718 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c30342_6aza 1 . 1 . 194 . 1 1 13 LYS CA C 5.058 10.314 -2.238 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c30342_6aza 1 . 1 . 195 . 1 1 13 LYS CB C 3.859 9.366 -2.310 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c30342_6aza 1 . 1 . 196 . 1 1 13 LYS CD C 2.570 7.942 -3.930 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c30342_6aza 1 . 1 . 197 . 1 1 13 LYS CE C 2.616 7.432 -5.362 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c30342_6aza 1 . 1 . 198 . 1 1 13 LYS CG C 3.948 8.358 -3.442 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c30342_6aza 1 . 1 . 199 . 1 1 13 LYS H H 5.851 9.096 -0.699 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c30342_6aza 1 . 1 . 200 . 1 1 13 LYS HA H 5.469 10.437 -3.228 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c30342_6aza 1 . 1 . 201 . 1 1 13 LYS HB2 H 3.786 8.825 -1.379 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c30342_6aza 1 . 1 . 202 . 1 1 13 LYS HB3 H 2.961 9.951 -2.448 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c30342_6aza 1 . 1 . 203 . 1 1 13 LYS HD2 H 2.194 7.156 -3.292 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c30342_6aza 1 . 1 . 204 . 1 1 13 LYS HD3 H 1.909 8.795 -3.881 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c30342_6aza 1 . 1 . 205 . 1 1 13 LYS HE2 H 3.497 6.821 -5.485 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c30342_6aza 1 . 1 . 206 . 1 1 13 LYS HE3 H 1.735 6.835 -5.546 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c30342_6aza 1 . 1 . 207 . 1 1 13 LYS HG2 H 4.491 8.800 -4.265 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c30342_6aza 1 . 1 . 208 . 1 1 13 LYS HG3 H 4.475 7.482 -3.091 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c30342_6aza 1 . 1 . 209 . 1 1 13 LYS HZ1 H 2.601 9.462 -5.853 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 1 . 210 . 1 1 13 LYS HZ2 H 1.859 8.474 -7.007 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 1 . 211 . 1 1 13 LYS HZ3 H 3.546 8.514 -6.888 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 1 . 212 . 1 1 13 LYS N N 6.098 9.749 -1.387 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c30342_6aza 1 . 1 . 213 . 1 1 13 LYS NZ N 2.659 8.549 -6.347 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c30342_6aza 1 . 1 . 214 . 1 1 13 LYS O O 4.777 12.005 -0.543 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c30342_6aza 1 . 1 . 215 . 1 1 14 PRO C C 2.319 13.787 -1.361 . . . 1.0 . . . . . . . . . . . . A . 14 PRO C . . . . . . . . . c30342_6aza 1 . 1 . 216 . 1 1 14 PRO CA C 3.546 13.830 -2.266 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CA . . . . . . . . . c30342_6aza 1 . 1 . 217 . 1 1 14 PRO CB C 3.187 14.440 -3.624 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CB . . . . . . . . . c30342_6aza 1 . 1 . 218 . 1 1 14 PRO CD C 3.800 12.165 -4.030 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CD . . . . . . . . . c30342_6aza 1 . 1 . 219 . 1 1 14 PRO CG C 2.894 13.270 -4.498 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CG . . . . . . . . . c30342_6aza 1 . 1 . 220 . 1 1 14 PRO HA H 4.318 14.422 -1.796 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HA . . . . . . . . . c30342_6aza 1 . 1 . 221 . 1 1 14 PRO HB2 H 2.323 15.081 -3.516 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB2 . . . . . . . . . c30342_6aza 1 . 1 . 222 . 1 1 14 PRO HB3 H 4.023 15.012 -3.997 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB3 . . . . . . . . . c30342_6aza 1 . 1 . 223 . 1 1 14 PRO HD2 H 3.311 11.208 -4.131 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD2 . . . . . . . . . c30342_6aza 1 . 1 . 224 . 1 1 14 PRO HD3 H 4.727 12.178 -4.583 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD3 . . . . . . . . . c30342_6aza 1 . 1 . 225 . 1 1 14 PRO HG2 H 1.860 12.980 -4.389 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG2 . . . . . . . . . c30342_6aza 1 . 1 . 226 . 1 1 14 PRO HG3 H 3.108 13.519 -5.527 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG3 . . . . . . . . . c30342_6aza 1 . 1 . 227 . 1 1 14 PRO N N 4.030 12.491 -2.612 . . . 1.0 . . . . . . . . . . . . A . 14 PRO N . . . . . . . . . c30342_6aza 1 . 1 . 228 . 1 1 14 PRO O O 2.176 14.607 -0.455 . . . 1.0 . . . . . . . . . . . . A . 14 PRO O . . . . . . . . . c30342_6aza 1 . 1 . 229 . 1 1 15 ASN C C 0.336 11.488 0.131 . . . 1.0 . . . . . . . . . . . . A . 15 ASN C . . . . . . . . . c30342_6aza 1 . 1 . 230 . 1 1 15 ASN CA C 0.222 12.676 -0.819 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CA . . . . . . . . . c30342_6aza 1 . 1 . 231 . 1 1 15 ASN CB C -0.990 12.497 -1.735 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CB . . . . . . . . . c30342_6aza 1 . 1 . 232 . 1 1 15 ASN CG C -1.247 13.717 -2.599 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CG . . . . . . . . . c30342_6aza 1 . 1 . 233 . 1 1 15 ASN H H 1.607 12.202 -2.349 . . . 1.0 . . . . . . . . . . . . A . 15 ASN H . . . . . . . . . c30342_6aza 1 . 1 . 234 . 1 1 15 ASN HA H 0.093 13.576 -0.238 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HA . . . . . . . . . c30342_6aza 1 . 1 . 235 . 1 1 15 ASN HB2 H -0.823 11.650 -2.383 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB2 . . . . . . . . . c30342_6aza 1 . 1 . 236 . 1 1 15 ASN HB3 H -1.867 12.315 -1.131 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB3 . . . . . . . . . c30342_6aza 1 . 1 . 237 . 1 1 15 ASN HD21 H -2.611 12.718 -3.646 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD21 . . . . . . . . . c30342_6aza 1 . 1 . 238 . 1 1 15 ASN HD22 H -2.346 14.356 -4.128 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD22 . . . . . . . . . c30342_6aza 1 . 1 . 239 . 1 1 15 ASN N N 1.437 12.825 -1.612 . . . 1.0 . . . . . . . . . . . . A . 15 ASN N . . . . . . . . . c30342_6aza 1 . 1 . 240 . 1 1 15 ASN ND2 N -2.161 13.583 -3.554 . . . 1.0 . . . . . . . . . . . . A . 15 ASN ND2 . . . . . . . . . c30342_6aza 1 . 1 . 241 . 1 1 15 ASN O O -0.278 11.472 1.198 . . . 1.0 . . . . . . . . . . . . A . 15 ASN O . . . . . . . . . c30342_6aza 1 . 1 . 242 . 1 1 15 ASN OD1 O -0.632 14.766 -2.410 . . . 1.0 . . . . . . . . . . . . A . 15 ASN OD1 . . . . . . . . . c30342_6aza 1 . 1 . 243 . 1 1 16 CYS C C 2.651 9.363 1.294 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c30342_6aza 1 . 1 . 244 . 1 1 16 CYS CA C 1.320 9.302 0.551 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c30342_6aza 1 . 1 . 245 . 1 1 16 CYS CB C 1.268 8.047 -0.323 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c30342_6aza 1 . 1 . 246 . 1 1 16 CYS H H 1.588 10.565 -1.126 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c30342_6aza 1 . 1 . 247 . 1 1 16 CYS HA H 0.520 9.259 1.274 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c30342_6aza 1 . 1 . 248 . 1 1 16 CYS HB2 H 1.663 8.282 -1.301 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c30342_6aza 1 . 1 . 249 . 1 1 16 CYS HB3 H 1.876 7.277 0.129 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c30342_6aza 1 . 1 . 250 . 1 1 16 CYS N N 1.125 10.494 -0.264 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c30342_6aza 1 . 1 . 251 . 1 1 16 CYS O O 3.613 8.692 0.922 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c30342_6aza 1 . 1 . 252 . 1 1 16 CYS SG S -0.407 7.369 -0.553 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c30342_6aza 1 . 1 . 253 . 1 1 17 GLY C C 4.052 9.223 4.178 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c30342_6aza 1 . 1 . 254 . 1 1 17 GLY CA C 3.915 10.306 3.127 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c30342_6aza 1 . 1 . 255 . 1 1 17 GLY H H 1.900 10.683 2.598 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c30342_6aza 1 . 1 . 256 . 1 1 17 GLY HA2 H 4.763 10.256 2.461 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c30342_6aza 1 . 1 . 257 . 1 1 17 GLY HA3 H 3.911 11.269 3.617 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c30342_6aza 1 . 1 . 258 . 1 1 17 GLY N N 2.698 10.172 2.348 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c30342_6aza 1 . 1 . 259 . 1 1 17 GLY O O 3.693 9.425 5.338 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c30342_6aza 1 . 1 . 260 . 1 1 18 NH2 HN1 H 4.841 7.968 2.835 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . c30342_6aza 1 . 1 . 261 . 1 1 18 NH2 HN2 H 4.698 7.302 4.401 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . c30342_6aza 1 . 1 . 262 . 1 1 18 NH2 N N 4.573 8.069 3.773 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . c30342_6aza 1 . 2 . 263 . 1 1 1 ARG C C 2.678 1.766 -1.824 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30342_6aza 1 . 2 . 264 . 1 1 1 ARG CA C 2.778 0.768 -0.675 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30342_6aza 1 . 2 . 265 . 1 1 1 ARG CB C 3.463 -0.514 -1.156 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30342_6aza 1 . 2 . 266 . 1 1 1 ARG CD C 3.513 -2.288 -2.934 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30342_6aza 1 . 2 . 267 . 1 1 1 ARG CG C 2.650 -1.290 -2.180 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30342_6aza 1 . 2 . 268 . 1 1 1 ARG CZ C 3.476 -4.307 -1.530 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30342_6aza 1 . 2 . 269 . 1 1 1 ARG H1 H 0.909 -0.220 -0.570 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30342_6aza 1 . 2 . 270 . 1 1 1 ARG HA H 3.369 1.206 0.116 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30342_6aza 1 . 2 . 271 . 1 1 1 ARG HB2 H 4.412 -0.255 -1.603 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30342_6aza 1 . 2 . 272 . 1 1 1 ARG HB3 H 3.636 -1.155 -0.306 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30342_6aza 1 . 2 . 273 . 1 1 1 ARG HD2 H 2.896 -2.808 -3.651 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30342_6aza 1 . 2 . 274 . 1 1 1 ARG HD3 H 4.292 -1.750 -3.453 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30342_6aza 1 . 2 . 275 . 1 1 1 ARG HE H 5.070 -3.141 -1.809 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30342_6aza 1 . 2 . 276 . 1 1 1 ARG HG2 H 1.862 -1.826 -1.670 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30342_6aza 1 . 2 . 277 . 1 1 1 ARG HG3 H 2.218 -0.595 -2.884 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30342_6aza 1 . 2 . 278 . 1 1 1 ARG HH11 H 1.723 -3.866 -2.435 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30342_6aza 1 . 2 . 279 . 1 1 1 ARG HH12 H 1.710 -5.288 -1.442 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30342_6aza 1 . 2 . 280 . 1 1 1 ARG HH21 H 5.067 -5.009 -0.500 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30342_6aza 1 . 2 . 281 . 1 1 1 ARG HH22 H 3.612 -5.935 -0.341 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30342_6aza 1 . 2 . 282 . 1 1 1 ARG N N 1.458 0.464 -0.133 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30342_6aza 1 . 2 . 283 . 1 1 1 ARG NE N 4.128 -3.267 -2.040 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30342_6aza 1 . 2 . 284 . 1 1 1 ARG NH1 N 2.198 -4.503 -1.826 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30342_6aza 1 . 2 . 285 . 1 1 1 ARG NH2 N 4.103 -5.153 -0.725 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30342_6aza 1 . 2 . 286 . 1 1 1 ARG O O 3.370 1.637 -2.835 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30342_6aza 1 . 2 . 287 . 1 1 2 CYS C C 2.951 4.400 -3.095 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c30342_6aza 1 . 2 . 288 . 1 1 2 CYS CA C 1.619 3.780 -2.687 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c30342_6aza 1 . 2 . 289 . 1 1 2 CYS CB C 0.670 4.869 -2.180 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c30342_6aza 1 . 2 . 290 . 1 1 2 CYS H H 1.287 2.810 -0.835 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c30342_6aza 1 . 2 . 291 . 1 1 2 CYS HA H 1.178 3.305 -3.550 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c30342_6aza 1 . 2 . 292 . 1 1 2 CYS HB2 H 0.611 5.656 -2.918 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c30342_6aza 1 . 2 . 293 . 1 1 2 CYS HB3 H -0.312 4.442 -2.037 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c30342_6aza 1 . 2 . 294 . 1 1 2 CYS N N 1.811 2.760 -1.664 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c30342_6aza 1 . 2 . 295 . 1 1 2 CYS O O 3.165 4.733 -4.262 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c30342_6aza 1 . 2 . 296 . 1 1 2 CYS SG S 1.183 5.626 -0.604 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c30342_6aza 1 . 2 . 297 . 1 1 3 LYS C C 5.914 4.329 -3.435 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . c30342_6aza 1 . 2 . 298 . 1 1 3 LYS CA C 5.159 5.134 -2.381 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . c30342_6aza 1 . 2 . 299 . 1 1 3 LYS CB C 5.976 5.190 -1.086 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . c30342_6aza 1 . 2 . 300 . 1 1 3 LYS CD C 6.638 3.955 0.998 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . c30342_6aza 1 . 2 . 301 . 1 1 3 LYS CE C 6.741 2.593 1.669 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . c30342_6aza 1 . 2 . 302 . 1 1 3 LYS CG C 6.206 3.828 -0.453 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . c30342_6aza 1 . 2 . 303 . 1 1 3 LYS H H 3.618 4.272 -1.214 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . c30342_6aza 1 . 2 . 304 . 1 1 3 LYS HA H 5.015 6.139 -2.748 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . c30342_6aza 1 . 2 . 305 . 1 1 3 LYS HB2 H 6.938 5.631 -1.301 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . c30342_6aza 1 . 2 . 306 . 1 1 3 LYS HB3 H 5.455 5.811 -0.374 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . c30342_6aza 1 . 2 . 307 . 1 1 3 LYS HD2 H 7.603 4.437 1.037 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . c30342_6aza 1 . 2 . 308 . 1 1 3 LYS HD3 H 5.912 4.555 1.529 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . c30342_6aza 1 . 2 . 309 . 1 1 3 LYS HE2 H 6.779 2.735 2.737 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . c30342_6aza 1 . 2 . 310 . 1 1 3 LYS HE3 H 5.866 2.014 1.413 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . c30342_6aza 1 . 2 . 311 . 1 1 3 LYS HG2 H 5.288 3.261 -0.498 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . c30342_6aza 1 . 2 . 312 . 1 1 3 LYS HG3 H 6.978 3.311 -1.005 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . c30342_6aza 1 . 2 . 313 . 1 1 3 LYS HZ1 H 8.755 2.075 1.862 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 2 . 314 . 1 1 3 LYS HZ2 H 8.210 2.120 0.262 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 2 . 315 . 1 1 3 LYS HZ3 H 7.782 0.827 1.266 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 2 . 316 . 1 1 3 LYS N N 3.847 4.555 -2.125 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . c30342_6aza 1 . 2 . 317 . 1 1 3 LYS NZ N 7.956 1.852 1.234 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . c30342_6aza 1 . 2 . 318 . 1 1 3 LYS O O 5.978 3.102 -3.365 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . c30342_6aza 1 . 2 . 319 . 1 1 4 THR C C 8.573 5.069 -5.709 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30342_6aza 1 . 2 . 320 . 1 1 4 THR CA C 7.232 4.379 -5.480 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30342_6aza 1 . 2 . 321 . 1 1 4 THR CB C 6.438 4.374 -6.800 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30342_6aza 1 . 2 . 322 . 1 1 4 THR CG2 C 6.284 5.786 -7.345 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30342_6aza 1 . 2 . 323 . 1 1 4 THR H H 6.396 6.005 -4.412 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30342_6aza 1 . 2 . 324 . 1 1 4 THR HA H 7.411 3.355 -5.187 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30342_6aza 1 . 2 . 325 . 1 1 4 THR HB H 5.454 3.969 -6.608 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30342_6aza 1 . 2 . 326 . 1 1 4 THR HG1 H 6.819 2.641 -7.661 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30342_6aza 1 . 2 . 327 . 1 1 4 THR HG21 H 6.245 6.486 -6.524 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30342_6aza 1 . 2 . 328 . 1 1 4 THR HG22 H 5.373 5.852 -7.919 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30342_6aza 1 . 2 . 329 . 1 1 4 THR HG23 H 7.127 6.020 -7.978 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30342_6aza 1 . 2 . 330 . 1 1 4 THR N N 6.483 5.029 -4.412 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30342_6aza 1 . 2 . 331 . 1 1 4 THR O O 8.742 6.244 -5.380 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30342_6aza 1 . 2 . 332 . 1 1 4 THR OG1 O 7.101 3.553 -7.767 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30342_6aza 1 . 2 . 333 . 1 1 5 CYS C C 11.230 4.657 -8.013 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30342_6aza 1 . 2 . 334 . 1 1 5 CYS CA C 10.847 4.874 -6.552 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30342_6aza 1 . 2 . 335 . 1 1 5 CYS CB C 11.886 4.221 -5.639 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30342_6aza 1 . 2 . 336 . 1 1 5 CYS H H 9.325 3.402 -6.519 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30342_6aza 1 . 2 . 337 . 1 1 5 CYS HA H 10.821 5.934 -6.353 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30342_6aza 1 . 2 . 338 . 1 1 5 CYS HB2 H 11.941 3.165 -5.864 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30342_6aza 1 . 2 . 339 . 1 1 5 CYS HB3 H 12.849 4.673 -5.822 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30342_6aza 1 . 2 . 340 . 1 1 5 CYS N N 9.521 4.333 -6.278 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30342_6aza 1 . 2 . 341 . 1 1 5 CYS O O 11.269 3.524 -8.495 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30342_6aza 1 . 2 . 342 . 1 1 5 CYS SG S 11.522 4.386 -3.862 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30342_6aza 1 . 2 . 343 . 1 1 6 SER C C 13.314 5.150 -10.276 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . c30342_6aza 1 . 2 . 344 . 1 1 6 SER CA C 11.893 5.681 -10.120 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . c30342_6aza 1 . 2 . 345 . 1 1 6 SER CB C 11.779 7.062 -10.768 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . c30342_6aza 1 . 2 . 346 . 1 1 6 SER H H 11.469 6.625 -8.273 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . c30342_6aza 1 . 2 . 347 . 1 1 6 SER HA H 11.212 5.004 -10.612 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . c30342_6aza 1 . 2 . 348 . 1 1 6 SER HB2 H 11.004 7.628 -10.273 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . c30342_6aza 1 . 2 . 349 . 1 1 6 SER HB3 H 12.722 7.581 -10.673 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . c30342_6aza 1 . 2 . 350 . 1 1 6 SER HG H 10.534 6.699 -12.237 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . c30342_6aza 1 . 2 . 351 . 1 1 6 SER N N 11.515 5.751 -8.713 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . c30342_6aza 1 . 2 . 352 . 1 1 6 SER O O 14.048 5.008 -9.297 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . c30342_6aza 1 . 2 . 353 . 1 1 6 SER OG O 11.455 6.954 -12.145 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . c30342_6aza 1 . 2 . 354 . 1 1 7 LYS C C 16.101 5.368 -11.440 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30342_6aza 1 . 2 . 355 . 1 1 7 LYS CA C 15.031 4.341 -11.800 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30342_6aza 1 . 2 . 356 . 1 1 7 LYS CB C 15.148 3.965 -13.280 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30342_6aza 1 . 2 . 357 . 1 1 7 LYS CD C 15.656 5.249 -15.378 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30342_6aza 1 . 2 . 358 . 1 1 7 LYS CE C 15.157 6.296 -16.361 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30342_6aza 1 . 2 . 359 . 1 1 7 LYS CG C 14.686 5.061 -14.224 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30342_6aza 1 . 2 . 360 . 1 1 7 LYS H H 13.068 4.990 -12.252 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30342_6aza 1 . 2 . 361 . 1 1 7 LYS HA H 15.181 3.456 -11.199 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30342_6aza 1 . 2 . 362 . 1 1 7 LYS HB2 H 16.181 3.739 -13.500 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30342_6aza 1 . 2 . 363 . 1 1 7 LYS HB3 H 14.549 3.085 -13.463 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30342_6aza 1 . 2 . 364 . 1 1 7 LYS HD2 H 16.611 5.565 -14.986 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30342_6aza 1 . 2 . 365 . 1 1 7 LYS HD3 H 15.771 4.307 -15.896 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30342_6aza 1 . 2 . 366 . 1 1 7 LYS HE2 H 15.391 5.971 -17.363 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30342_6aza 1 . 2 . 367 . 1 1 7 LYS HE3 H 14.087 6.391 -16.253 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30342_6aza 1 . 2 . 368 . 1 1 7 LYS HG2 H 13.718 4.797 -14.621 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30342_6aza 1 . 2 . 369 . 1 1 7 LYS HG3 H 14.610 5.989 -13.673 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30342_6aza 1 . 2 . 370 . 1 1 7 LYS HZ1 H 15.164 8.216 -15.537 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 2 . 371 . 1 1 7 LYS HZ2 H 15.954 8.108 -17.029 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 2 . 372 . 1 1 7 LYS HZ3 H 16.698 7.506 -15.634 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 2 . 373 . 1 1 7 LYS N N 13.697 4.856 -11.513 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30342_6aza 1 . 2 . 374 . 1 1 7 LYS NZ N 15.787 7.625 -16.124 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30342_6aza 1 . 2 . 375 . 1 1 7 LYS O O 16.381 6.282 -12.213 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30342_6aza 1 . 2 . 376 . 1 1 8 GLY C C 17.255 7.038 -8.704 . . . 1.0 . . . . . . . . . . . . A . 8 GLY C . . . . . . . . . c30342_6aza 1 . 2 . 377 . 1 1 8 GLY CA C 17.727 6.127 -9.820 . . . 1.0 . . . . . . . . . . . . A . 8 GLY CA . . . . . . . . . c30342_6aza 1 . 2 . 378 . 1 1 8 GLY H H 16.430 4.460 -9.686 . . . 1.0 . . . . . . . . . . . . A . 8 GLY H . . . . . . . . . c30342_6aza 1 . 2 . 379 . 1 1 8 GLY HA2 H 18.576 5.559 -9.472 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA2 . . . . . . . . . c30342_6aza 1 . 2 . 380 . 1 1 8 GLY HA3 H 18.034 6.735 -10.659 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA3 . . . . . . . . . c30342_6aza 1 . 2 . 381 . 1 1 8 GLY N N 16.695 5.208 -10.262 . . . 1.0 . . . . . . . . . . . . A . 8 GLY N . . . . . . . . . c30342_6aza 1 . 2 . 382 . 1 1 8 GLY O O 18.056 7.503 -7.894 . . . 1.0 . . . . . . . . . . . . A . 8 GLY O . . . . . . . . . c30342_6aza 1 . 2 . 383 . 1 1 9 ARG C C 14.426 7.371 -6.737 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c30342_6aza 1 . 2 . 384 . 1 1 9 ARG CA C 15.373 8.156 -7.640 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c30342_6aza 1 . 2 . 385 . 1 1 9 ARG CB C 14.628 9.324 -8.289 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c30342_6aza 1 . 2 . 386 . 1 1 9 ARG CD C 14.860 11.285 -9.845 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c30342_6aza 1 . 2 . 387 . 1 1 9 ARG CG C 15.542 10.431 -8.786 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c30342_6aza 1 . 2 . 388 . 1 1 9 ARG CZ C 14.003 13.248 -8.641 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c30342_6aza 1 . 2 . 389 . 1 1 9 ARG H H 15.363 6.892 -9.337 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c30342_6aza 1 . 2 . 390 . 1 1 9 ARG HA H 16.183 8.547 -7.040 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c30342_6aza 1 . 2 . 391 . 1 1 9 ARG HB2 H 14.060 8.951 -9.130 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c30342_6aza 1 . 2 . 392 . 1 1 9 ARG HB3 H 13.946 9.747 -7.566 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c30342_6aza 1 . 2 . 393 . 1 1 9 ARG HD2 H 15.382 11.156 -10.781 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c30342_6aza 1 . 2 . 394 . 1 1 9 ARG HD3 H 13.840 10.952 -9.951 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c30342_6aza 1 . 2 . 395 . 1 1 9 ARG HE H 15.543 13.272 -9.908 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c30342_6aza 1 . 2 . 396 . 1 1 9 ARG HG2 H 15.815 11.061 -7.952 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c30342_6aza 1 . 2 . 397 . 1 1 9 ARG HG3 H 16.430 9.988 -9.210 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c30342_6aza 1 . 2 . 398 . 1 1 9 ARG HH11 H 13.022 11.525 -8.261 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c30342_6aza 1 . 2 . 399 . 1 1 9 ARG HH12 H 12.427 12.917 -7.420 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c30342_6aza 1 . 2 . 400 . 1 1 9 ARG HH21 H 14.769 15.112 -8.805 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c30342_6aza 1 . 2 . 401 . 1 1 9 ARG HH22 H 13.421 14.958 -7.731 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c30342_6aza 1 . 2 . 402 . 1 1 9 ARG N N 15.951 7.293 -8.664 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c30342_6aza 1 . 2 . 403 . 1 1 9 ARG NE N 14.865 12.701 -9.490 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c30342_6aza 1 . 2 . 404 . 1 1 9 ARG NH1 N 13.074 12.502 -8.060 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c30342_6aza 1 . 2 . 405 . 1 1 9 ARG NH2 N 14.070 14.546 -8.371 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c30342_6aza 1 . 2 . 406 . 1 1 9 ARG O O 13.685 6.505 -7.202 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c30342_6aza 1 . 2 . 407 . 1 1 10 CYS C C 13.226 7.943 -3.335 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30342_6aza 1 . 2 . 408 . 1 1 10 CYS CA C 13.600 7.005 -4.478 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30342_6aza 1 . 2 . 409 . 1 1 10 CYS CB C 14.303 5.763 -3.925 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30342_6aza 1 . 2 . 410 . 1 1 10 CYS H H 15.066 8.383 -5.135 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30342_6aza 1 . 2 . 411 . 1 1 10 CYS HA H 12.698 6.702 -4.986 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30342_6aza 1 . 2 . 412 . 1 1 10 CYS HB2 H 14.658 5.164 -4.750 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30342_6aza 1 . 2 . 413 . 1 1 10 CYS HB3 H 15.144 6.073 -3.324 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30342_6aza 1 . 2 . 414 . 1 1 10 CYS N N 14.454 7.681 -5.446 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30342_6aza 1 . 2 . 415 . 1 1 10 CYS O O 14.069 8.302 -2.510 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30342_6aza 1 . 2 . 416 . 1 1 10 CYS SG S 13.239 4.707 -2.891 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30342_6aza 1 . 2 . 417 . 1 1 11 ARG C C 9.978 9.031 -2.009 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . c30342_6aza 1 . 2 . 418 . 1 1 11 ARG CA C 11.472 9.234 -2.247 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . c30342_6aza 1 . 2 . 419 . 1 1 11 ARG CB C 11.746 10.690 -2.629 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . c30342_6aza 1 . 2 . 420 . 1 1 11 ARG CD C 13.285 12.671 -2.480 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . c30342_6aza 1 . 2 . 421 . 1 1 11 ARG CG C 13.112 11.189 -2.188 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . c30342_6aza 1 . 2 . 422 . 1 1 11 ARG CZ C 14.236 13.595 -0.410 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . c30342_6aza 1 . 2 . 423 . 1 1 11 ARG H H 11.334 8.018 -3.974 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . c30342_6aza 1 . 2 . 424 . 1 1 11 ARG HA H 12.005 9.005 -1.337 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . c30342_6aza 1 . 2 . 425 . 1 1 11 ARG HB2 H 11.681 10.787 -3.703 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . c30342_6aza 1 . 2 . 426 . 1 1 11 ARG HB3 H 10.994 11.316 -2.174 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . c30342_6aza 1 . 2 . 427 . 1 1 11 ARG HD2 H 13.511 12.794 -3.529 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . c30342_6aza 1 . 2 . 428 . 1 1 11 ARG HD3 H 12.361 13.180 -2.250 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . c30342_6aza 1 . 2 . 429 . 1 1 11 ARG HE H 15.218 13.420 -2.137 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . c30342_6aza 1 . 2 . 430 . 1 1 11 ARG HG2 H 13.218 11.028 -1.126 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . c30342_6aza 1 . 2 . 431 . 1 1 11 ARG HG3 H 13.874 10.636 -2.718 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . c30342_6aza 1 . 2 . 432 . 1 1 11 ARG HH11 H 12.313 12.993 -0.266 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . c30342_6aza 1 . 2 . 433 . 1 1 11 ARG HH12 H 12.997 13.644 1.186 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . c30342_6aza 1 . 2 . 434 . 1 1 11 ARG HH21 H 16.129 14.282 -0.231 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . c30342_6aza 1 . 2 . 435 . 1 1 11 ARG HH22 H 15.167 14.379 1.204 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . c30342_6aza 1 . 2 . 436 . 1 1 11 ARG N N 11.957 8.338 -3.289 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . c30342_6aza 1 . 2 . 437 . 1 1 11 ARG NE N 14.361 13.263 -1.690 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . c30342_6aza 1 . 2 . 438 . 1 1 11 ARG NH1 N 13.088 13.395 0.221 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . c30342_6aza 1 . 2 . 439 . 1 1 11 ARG NH2 N 15.262 14.128 0.241 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . c30342_6aza 1 . 2 . 440 . 1 1 11 ARG O O 9.259 8.487 -2.846 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . c30342_6aza 1 . 2 . 441 . 1 1 12 PRO C C 7.188 10.270 -1.290 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . c30342_6aza 1 . 2 . 442 . 1 1 12 PRO CA C 8.089 9.360 -0.462 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . c30342_6aza 1 . 2 . 443 . 1 1 12 PRO CB C 8.076 9.791 1.008 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . c30342_6aza 1 . 2 . 444 . 1 1 12 PRO CD C 10.301 10.140 0.207 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . c30342_6aza 1 . 2 . 445 . 1 1 12 PRO CG C 9.263 10.678 1.154 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . c30342_6aza 1 . 2 . 446 . 1 1 12 PRO HA H 7.742 8.341 -0.543 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . c30342_6aza 1 . 2 . 447 . 1 1 12 PRO HB2 H 7.158 10.318 1.223 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . c30342_6aza 1 . 2 . 448 . 1 1 12 PRO HB3 H 8.154 8.919 1.642 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . c30342_6aza 1 . 2 . 449 . 1 1 12 PRO HD2 H 10.887 10.947 -0.207 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . c30342_6aza 1 . 2 . 450 . 1 1 12 PRO HD3 H 10.938 9.428 0.711 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . c30342_6aza 1 . 2 . 451 . 1 1 12 PRO HG2 H 8.999 11.690 0.886 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . c30342_6aza 1 . 2 . 452 . 1 1 12 PRO HG3 H 9.627 10.640 2.170 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . c30342_6aza 1 . 2 . 453 . 1 1 12 PRO N N 9.501 9.481 -0.838 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . c30342_6aza 1 . 2 . 454 . 1 1 12 PRO O O 7.644 11.263 -1.859 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . c30342_6aza 1 . 2 . 455 . 1 1 13 LYS C C 4.441 11.897 -1.293 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c30342_6aza 1 . 2 . 456 . 1 1 13 LYS CA C 4.940 10.713 -2.112 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c30342_6aza 1 . 2 . 457 . 1 1 13 LYS CB C 3.757 9.836 -2.534 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c30342_6aza 1 . 2 . 458 . 1 1 13 LYS CD C 3.226 8.123 -4.292 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c30342_6aza 1 . 2 . 459 . 1 1 13 LYS CE C 3.970 7.481 -5.453 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c30342_6aza 1 . 2 . 460 . 1 1 13 LYS CG C 3.727 9.532 -4.022 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c30342_6aza 1 . 2 . 461 . 1 1 13 LYS H H 5.602 9.124 -0.881 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c30342_6aza 1 . 2 . 462 . 1 1 13 LYS HA H 5.435 11.084 -2.996 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c30342_6aza 1 . 2 . 463 . 1 1 13 LYS HB2 H 3.809 8.901 -1.997 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c30342_6aza 1 . 2 . 464 . 1 1 13 LYS HB3 H 2.840 10.342 -2.272 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c30342_6aza 1 . 2 . 465 . 1 1 13 LYS HD2 H 3.376 7.521 -3.408 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c30342_6aza 1 . 2 . 466 . 1 1 13 LYS HD3 H 2.173 8.163 -4.528 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c30342_6aza 1 . 2 . 467 . 1 1 13 LYS HE2 H 4.407 8.261 -6.058 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c30342_6aza 1 . 2 . 468 . 1 1 13 LYS HE3 H 4.752 6.850 -5.059 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c30342_6aza 1 . 2 . 469 . 1 1 13 LYS HG2 H 3.068 10.235 -4.510 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c30342_6aza 1 . 2 . 470 . 1 1 13 LYS HG3 H 4.724 9.632 -4.422 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c30342_6aza 1 . 2 . 471 . 1 1 13 LYS HZ1 H 2.073 6.884 -6.092 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 2 . 472 . 1 1 13 LYS HZ2 H 3.227 5.647 -6.121 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 2 . 473 . 1 1 13 LYS HZ3 H 3.248 6.849 -7.309 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 2 . 474 . 1 1 13 LYS N N 5.906 9.926 -1.355 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c30342_6aza 1 . 2 . 475 . 1 1 13 LYS NZ N 3.066 6.657 -6.304 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c30342_6aza 1 . 2 . 476 . 1 1 13 LYS O O 4.501 11.902 -0.064 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c30342_6aza 1 . 2 . 477 . 1 1 14 PRO C C 2.113 13.878 -0.592 . . . 1.0 . . . . . . . . . . . . A . 14 PRO C . . . . . . . . . c30342_6aza 1 . 2 . 478 . 1 1 14 PRO CA C 3.414 14.137 -1.344 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CA . . . . . . . . . c30342_6aza 1 . 2 . 479 . 1 1 14 PRO CB C 3.171 15.088 -2.520 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CB . . . . . . . . . c30342_6aza 1 . 2 . 480 . 1 1 14 PRO CD C 3.831 12.989 -3.456 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CD . . . . . . . . . c30342_6aza 1 . 2 . 481 . 1 1 14 PRO CG C 2.963 14.193 -3.693 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CG . . . . . . . . . c30342_6aza 1 . 2 . 482 . 1 1 14 PRO HA H 4.138 14.571 -0.671 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HA . . . . . . . . . c30342_6aza 1 . 2 . 483 . 1 1 14 PRO HB2 H 2.297 15.692 -2.322 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB2 . . . . . . . . . c30342_6aza 1 . 2 . 484 . 1 1 14 PRO HB3 H 4.033 15.724 -2.657 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB3 . . . . . . . . . c30342_6aza 1 . 2 . 485 . 1 1 14 PRO HD2 H 3.359 12.101 -3.847 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD2 . . . . . . . . . c30342_6aza 1 . 2 . 486 . 1 1 14 PRO HD3 H 4.804 13.130 -3.904 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD3 . . . . . . . . . c30342_6aza 1 . 2 . 487 . 1 1 14 PRO HG2 H 1.926 13.901 -3.754 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG2 . . . . . . . . . c30342_6aza 1 . 2 . 488 . 1 1 14 PRO HG3 H 3.264 14.701 -4.598 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG3 . . . . . . . . . c30342_6aza 1 . 2 . 489 . 1 1 14 PRO N N 3.934 12.927 -1.988 . . . 1.0 . . . . . . . . . . . . A . 14 PRO N . . . . . . . . . c30342_6aza 1 . 2 . 490 . 1 1 14 PRO O O 1.854 14.487 0.446 . . . 1.0 . . . . . . . . . . . . A . 14 PRO O . . . . . . . . . c30342_6aza 1 . 2 . 491 . 1 1 15 ASN C C 0.190 11.481 0.489 . . . 1.0 . . . . . . . . . . . . A . 15 ASN C . . . . . . . . . c30342_6aza 1 . 2 . 492 . 1 1 15 ASN CA C 0.025 12.633 -0.497 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CA . . . . . . . . . c30342_6aza 1 . 2 . 493 . 1 1 15 ASN CB C -1.006 12.259 -1.566 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CB . . . . . . . . . c30342_6aza 1 . 2 . 494 . 1 1 15 ASN CG C -1.023 13.241 -2.721 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CG . . . . . . . . . c30342_6aza 1 . 2 . 495 . 1 1 15 ASN H H 1.560 12.520 -1.950 . . . 1.0 . . . . . . . . . . . . A . 15 ASN H . . . . . . . . . c30342_6aza 1 . 2 . 496 . 1 1 15 ASN HA H -0.324 13.502 0.038 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HA . . . . . . . . . c30342_6aza 1 . 2 . 497 . 1 1 15 ASN HB2 H -0.774 11.279 -1.955 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB2 . . . . . . . . . c30342_6aza 1 . 2 . 498 . 1 1 15 ASN HB3 H -1.989 12.241 -1.118 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB3 . . . . . . . . . c30342_6aza 1 . 2 . 499 . 1 1 15 ASN HD21 H -0.582 11.782 -3.999 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD21 . . . . . . . . . c30342_6aza 1 . 2 . 500 . 1 1 15 ASN HD22 H -0.769 13.354 -4.689 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD22 . . . . . . . . . c30342_6aza 1 . 2 . 501 . 1 1 15 ASN N N 1.298 12.972 -1.120 . . . 1.0 . . . . . . . . . . . . A . 15 ASN N . . . . . . . . . c30342_6aza 1 . 2 . 502 . 1 1 15 ASN ND2 N -0.765 12.742 -3.924 . . . 1.0 . . . . . . . . . . . . A . 15 ASN ND2 . . . . . . . . . c30342_6aza 1 . 2 . 503 . 1 1 15 ASN O O -0.555 11.371 1.463 . . . 1.0 . . . . . . . . . . . . A . 15 ASN O . . . . . . . . . c30342_6aza 1 . 2 . 504 . 1 1 15 ASN OD1 O -1.264 14.434 -2.534 . . . 1.0 . . . . . . . . . . . . A . 15 ASN OD1 . . . . . . . . . c30342_6aza 1 . 2 . 505 . 1 1 16 CYS C C 2.231 9.902 2.327 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c30342_6aza 1 . 2 . 506 . 1 1 16 CYS CA C 1.437 9.480 1.094 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c30342_6aza 1 . 2 . 507 . 1 1 16 CYS CB C 2.204 8.401 0.326 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c30342_6aza 1 . 2 . 508 . 1 1 16 CYS H H 1.733 10.765 -0.562 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c30342_6aza 1 . 2 . 509 . 1 1 16 CYS HA H 0.489 9.078 1.412 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c30342_6aza 1 . 2 . 510 . 1 1 16 CYS HB2 H 3.071 8.850 -0.139 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c30342_6aza 1 . 2 . 511 . 1 1 16 CYS HB3 H 2.528 7.639 1.019 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c30342_6aza 1 . 2 . 512 . 1 1 16 CYS N N 1.173 10.625 0.230 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c30342_6aza 1 . 2 . 513 . 1 1 16 CYS O O 3.447 10.078 2.266 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c30342_6aza 1 . 2 . 514 . 1 1 16 CYS SG S 1.233 7.588 -0.983 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c30342_6aza 1 . 2 . 515 . 1 1 17 GLY C C 2.539 9.281 5.559 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c30342_6aza 1 . 2 . 516 . 1 1 17 GLY CA C 2.187 10.464 4.679 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c30342_6aza 1 . 2 . 517 . 1 1 17 GLY H H 0.564 9.909 3.436 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c30342_6aza 1 . 2 . 518 . 1 1 17 GLY HA2 H 3.092 11.000 4.435 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c30342_6aza 1 . 2 . 519 . 1 1 17 GLY HA3 H 1.527 11.121 5.227 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c30342_6aza 1 . 2 . 520 . 1 1 17 GLY N N 1.532 10.063 3.447 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c30342_6aza 1 . 2 . 521 . 1 1 17 GLY O O 1.989 9.124 6.648 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c30342_6aza 1 . 2 . 522 . 1 1 18 NH2 HN1 H 3.859 8.623 4.208 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . c30342_6aza 1 . 2 . 523 . 1 1 18 NH2 HN2 H 3.748 7.639 5.600 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . c30342_6aza 1 . 2 . 524 . 1 1 18 NH2 N N 3.457 8.445 5.084 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . c30342_6aza 1 . 3 . 525 . 1 1 1 ARG C C 0.292 5.475 -3.602 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30342_6aza 1 . 3 . 526 . 1 1 1 ARG CA C -1.209 5.364 -3.852 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30342_6aza 1 . 3 . 527 . 1 1 1 ARG CB C -1.465 4.833 -5.263 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30342_6aza 1 . 3 . 528 . 1 1 1 ARG CD C -1.597 5.347 -7.720 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30342_6aza 1 . 3 . 529 . 1 1 1 ARG CG C -1.114 5.826 -6.359 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30342_6aza 1 . 3 . 530 . 1 1 1 ARG CZ C -1.662 6.199 -10.024 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30342_6aza 1 . 3 . 531 . 1 1 1 ARG H1 H -1.333 7.475 -3.752 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30342_6aza 1 . 3 . 532 . 1 1 1 ARG HA H -1.631 4.674 -3.135 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30342_6aza 1 . 3 . 533 . 1 1 1 ARG HB2 H -0.873 3.941 -5.412 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30342_6aza 1 . 3 . 534 . 1 1 1 ARG HB3 H -2.511 4.581 -5.356 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30342_6aza 1 . 3 . 535 . 1 1 1 ARG HD2 H -0.957 4.542 -8.051 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30342_6aza 1 . 3 . 536 . 1 1 1 ARG HD3 H -2.610 4.984 -7.620 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30342_6aza 1 . 3 . 537 . 1 1 1 ARG HE H -1.479 7.334 -8.394 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30342_6aza 1 . 3 . 538 . 1 1 1 ARG HG2 H -1.581 6.774 -6.137 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30342_6aza 1 . 3 . 539 . 1 1 1 ARG HG3 H -0.042 5.948 -6.390 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30342_6aza 1 . 3 . 540 . 1 1 1 ARG HH11 H -1.813 4.192 -9.857 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30342_6aza 1 . 3 . 541 . 1 1 1 ARG HH12 H -1.857 4.806 -11.475 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30342_6aza 1 . 3 . 542 . 1 1 1 ARG HH21 H -1.537 8.155 -10.522 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30342_6aza 1 . 3 . 543 . 1 1 1 ARG HH22 H -1.700 7.060 -11.853 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30342_6aza 1 . 3 . 544 . 1 1 1 ARG N N -1.863 6.654 -3.669 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30342_6aza 1 . 3 . 545 . 1 1 1 ARG NE N -1.570 6.414 -8.717 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30342_6aza 1 . 3 . 546 . 1 1 1 ARG NH1 N -1.787 4.964 -10.490 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30342_6aza 1 . 3 . 547 . 1 1 1 ARG NH2 N -1.631 7.222 -10.869 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30342_6aza 1 . 3 . 548 . 1 1 1 ARG O O 0.970 6.316 -4.193 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30342_6aza 1 . 3 . 549 . 1 1 2 CYS C C 3.010 3.748 -3.365 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c30342_6aza 1 . 3 . 550 . 1 1 2 CYS CA C 2.225 4.624 -2.394 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c30342_6aza 1 . 3 . 551 . 1 1 2 CYS CB C 2.439 4.133 -0.961 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c30342_6aza 1 . 3 . 552 . 1 1 2 CYS H H 0.215 3.974 -2.284 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c30342_6aza 1 . 3 . 553 . 1 1 2 CYS HA H 2.583 5.639 -2.473 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c30342_6aza 1 . 3 . 554 . 1 1 2 CYS HB2 H 2.135 3.097 -0.894 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c30342_6aza 1 . 3 . 555 . 1 1 2 CYS HB3 H 3.487 4.209 -0.715 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c30342_6aza 1 . 3 . 556 . 1 1 2 CYS N N 0.805 4.621 -2.723 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c30342_6aza 1 . 3 . 557 . 1 1 2 CYS O O 3.488 2.673 -3.003 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c30342_6aza 1 . 3 . 558 . 1 1 2 CYS SG S 1.503 5.065 0.293 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c30342_6aza 1 . 3 . 559 . 1 1 3 LYS C C 5.344 3.352 -5.263 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . c30342_6aza 1 . 3 . 560 . 1 1 3 LYS CA C 3.868 3.477 -5.627 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . c30342_6aza 1 . 3 . 561 . 1 1 3 LYS CB C 3.724 4.172 -6.984 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . c30342_6aza 1 . 3 . 562 . 1 1 3 LYS CD C 2.217 4.776 -8.901 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . c30342_6aza 1 . 3 . 563 . 1 1 3 LYS CE C 3.271 4.461 -9.951 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . c30342_6aza 1 . 3 . 564 . 1 1 3 LYS CG C 2.391 3.911 -7.662 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . c30342_6aza 1 . 3 . 565 . 1 1 3 LYS H H 2.737 5.079 -4.830 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . c30342_6aza 1 . 3 . 566 . 1 1 3 LYS HA H 3.439 2.489 -5.693 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . c30342_6aza 1 . 3 . 567 . 1 1 3 LYS HB2 H 3.831 5.238 -6.842 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . c30342_6aza 1 . 3 . 568 . 1 1 3 LYS HB3 H 4.512 3.825 -7.638 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . c30342_6aza 1 . 3 . 569 . 1 1 3 LYS HD2 H 1.240 4.594 -9.322 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . c30342_6aza 1 . 3 . 570 . 1 1 3 LYS HD3 H 2.302 5.815 -8.619 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . c30342_6aza 1 . 3 . 571 . 1 1 3 LYS HE2 H 4.249 4.599 -9.516 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . c30342_6aza 1 . 3 . 572 . 1 1 3 LYS HE3 H 3.158 3.432 -10.259 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . c30342_6aza 1 . 3 . 573 . 1 1 3 LYS HG2 H 2.341 2.873 -7.951 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . c30342_6aza 1 . 3 . 574 . 1 1 3 LYS HG3 H 1.594 4.132 -6.967 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . c30342_6aza 1 . 3 . 575 . 1 1 3 LYS HZ1 H 2.735 4.809 -11.940 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 3 . 576 . 1 1 3 LYS HZ2 H 4.079 5.698 -11.428 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 3 . 577 . 1 1 3 LYS HZ3 H 2.527 6.151 -10.929 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 3 . 578 . 1 1 3 LYS N N 3.141 4.216 -4.603 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . c30342_6aza 1 . 3 . 579 . 1 1 3 LYS NZ N 3.144 5.342 -11.146 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . c30342_6aza 1 . 3 . 580 . 1 1 3 LYS O O 5.849 4.084 -4.411 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . c30342_6aza 1 . 3 . 581 . 1 1 4 THR C C 8.295 3.323 -6.240 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30342_6aza 1 . 3 . 582 . 1 1 4 THR CA C 7.449 2.196 -5.658 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30342_6aza 1 . 3 . 583 . 1 1 4 THR CB C 7.924 0.856 -6.249 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30342_6aza 1 . 3 . 584 . 1 1 4 THR CG2 C 7.249 -0.314 -5.549 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30342_6aza 1 . 3 . 585 . 1 1 4 THR H H 5.573 1.866 -6.581 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30342_6aza 1 . 3 . 586 . 1 1 4 THR HA H 7.594 2.165 -4.588 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30342_6aza 1 . 3 . 587 . 1 1 4 THR HB H 8.991 0.774 -6.108 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30342_6aza 1 . 3 . 588 . 1 1 4 THR HG1 H 6.697 0.642 -7.780 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30342_6aza 1 . 3 . 589 . 1 1 4 THR HG21 H 6.254 -0.447 -5.947 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30342_6aza 1 . 3 . 590 . 1 1 4 THR HG22 H 7.190 -0.114 -4.490 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30342_6aza 1 . 3 . 591 . 1 1 4 THR HG23 H 7.825 -1.213 -5.713 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30342_6aza 1 . 3 . 592 . 1 1 4 THR N N 6.031 2.418 -5.913 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30342_6aza 1 . 3 . 593 . 1 1 4 THR O O 7.903 3.971 -7.210 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30342_6aza 1 . 3 . 594 . 1 1 4 THR OG1 O 7.635 0.809 -7.652 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30342_6aza 1 . 3 . 595 . 1 1 5 CYS C C 10.811 4.345 -7.533 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30342_6aza 1 . 3 . 596 . 1 1 5 CYS CA C 10.362 4.601 -6.098 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30342_6aza 1 . 3 . 597 . 1 1 5 CYS CB C 11.582 4.689 -5.178 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30342_6aza 1 . 3 . 598 . 1 1 5 CYS H H 9.717 3.002 -4.869 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30342_6aza 1 . 3 . 599 . 1 1 5 CYS HA H 9.828 5.537 -6.063 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30342_6aza 1 . 3 . 600 . 1 1 5 CYS HB2 H 12.007 3.703 -5.062 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30342_6aza 1 . 3 . 601 . 1 1 5 CYS HB3 H 12.316 5.341 -5.630 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30342_6aza 1 . 3 . 602 . 1 1 5 CYS N N 9.459 3.552 -5.640 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30342_6aza 1 . 3 . 603 . 1 1 5 CYS O O 10.690 3.230 -8.043 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30342_6aza 1 . 3 . 604 . 1 1 5 CYS SG S 11.215 5.334 -3.515 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30342_6aza 1 . 3 . 605 . 1 1 6 SER C C 13.224 4.743 -9.609 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . c30342_6aza 1 . 3 . 606 . 1 1 6 SER CA C 11.793 5.272 -9.559 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . c30342_6aza 1 . 3 . 607 . 1 1 6 SER CB C 11.715 6.630 -10.257 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . c30342_6aza 1 . 3 . 608 . 1 1 6 SER H H 11.400 6.245 -7.720 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . c30342_6aza 1 . 3 . 609 . 1 1 6 SER HA H 11.146 4.575 -10.071 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . c30342_6aza 1 . 3 . 610 . 1 1 6 SER HB2 H 12.010 7.405 -9.566 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . c30342_6aza 1 . 3 . 611 . 1 1 6 SER HB3 H 12.380 6.633 -11.109 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . c30342_6aza 1 . 3 . 612 . 1 1 6 SER HG H 10.059 7.677 -10.260 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . c30342_6aza 1 . 3 . 613 . 1 1 6 SER N N 11.330 5.382 -8.180 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . c30342_6aza 1 . 3 . 614 . 1 1 6 SER O O 13.900 4.648 -8.584 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . c30342_6aza 1 . 3 . 615 . 1 1 6 SER OG O 10.397 6.897 -10.706 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . c30342_6aza 1 . 3 . 616 . 1 1 7 LYS C C 16.067 4.980 -10.792 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30342_6aza 1 . 3 . 617 . 1 1 7 LYS CA C 15.028 3.881 -10.997 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30342_6aza 1 . 3 . 618 . 1 1 7 LYS CB C 15.177 3.281 -12.397 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30342_6aza 1 . 3 . 619 . 1 1 7 LYS CD C 14.746 1.344 -13.936 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30342_6aza 1 . 3 . 620 . 1 1 7 LYS CE C 14.094 -0.023 -14.084 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30342_6aza 1 . 3 . 621 . 1 1 7 LYS CG C 14.583 1.889 -12.528 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30342_6aza 1 . 3 . 622 . 1 1 7 LYS H H 13.092 4.498 -11.589 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30342_6aza 1 . 3 . 623 . 1 1 7 LYS HA H 15.193 3.107 -10.264 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30342_6aza 1 . 3 . 624 . 1 1 7 LYS HB2 H 14.682 3.928 -13.107 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30342_6aza 1 . 3 . 625 . 1 1 7 LYS HB3 H 16.227 3.227 -12.643 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30342_6aza 1 . 3 . 626 . 1 1 7 LYS HD2 H 14.284 2.027 -14.633 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30342_6aza 1 . 3 . 627 . 1 1 7 LYS HD3 H 15.799 1.256 -14.161 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30342_6aza 1 . 3 . 628 . 1 1 7 LYS HE2 H 14.450 -0.482 -14.994 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30342_6aza 1 . 3 . 629 . 1 1 7 LYS HE3 H 14.374 -0.634 -13.239 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30342_6aza 1 . 3 . 630 . 1 1 7 LYS HG2 H 15.085 1.228 -11.837 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30342_6aza 1 . 3 . 631 . 1 1 7 LYS HG3 H 13.531 1.932 -12.286 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30342_6aza 1 . 3 . 632 . 1 1 7 LYS HZ1 H 12.270 0.774 -13.447 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 3 . 633 . 1 1 7 LYS HZ2 H 12.182 -0.847 -13.919 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 3 . 634 . 1 1 7 LYS HZ3 H 12.304 0.367 -15.089 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 3 . 635 . 1 1 7 LYS N N 13.678 4.399 -10.809 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30342_6aza 1 . 3 . 636 . 1 1 7 LYS NZ N 12.608 0.074 -14.139 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30342_6aza 1 . 3 . 637 . 1 1 7 LYS O O 16.279 5.819 -11.667 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30342_6aza 1 . 3 . 638 . 1 1 8 GLY C C 17.174 7.114 -8.503 . . . 1.0 . . . . . . . . . . . . A . 8 GLY C . . . . . . . . . c30342_6aza 1 . 3 . 639 . 1 1 8 GLY CA C 17.722 5.968 -9.332 . . . 1.0 . . . . . . . . . . . . A . 8 GLY CA . . . . . . . . . c30342_6aza 1 . 3 . 640 . 1 1 8 GLY H H 16.502 4.275 -8.969 . . . 1.0 . . . . . . . . . . . . A . 8 GLY H . . . . . . . . . c30342_6aza 1 . 3 . 641 . 1 1 8 GLY HA2 H 18.527 5.499 -8.790 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA2 . . . . . . . . . c30342_6aza 1 . 3 . 642 . 1 1 8 GLY HA3 H 18.105 6.364 -10.260 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA3 . . . . . . . . . c30342_6aza 1 . 3 . 643 . 1 1 8 GLY N N 16.712 4.968 -9.629 . . . 1.0 . . . . . . . . . . . . A . 8 GLY N . . . . . . . . . c30342_6aza 1 . 3 . 644 . 1 1 8 GLY O O 17.914 7.759 -7.760 . . . 1.0 . . . . . . . . . . . . A . 8 GLY O . . . . . . . . . c30342_6aza 1 . 3 . 645 . 1 1 9 ARG C C 14.211 7.891 -6.900 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c30342_6aza 1 . 3 . 646 . 1 1 9 ARG CA C 15.233 8.446 -7.889 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c30342_6aza 1 . 3 . 647 . 1 1 9 ARG CB C 14.549 9.418 -8.852 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c30342_6aza 1 . 3 . 648 . 1 1 9 ARG CD C 14.878 10.964 -10.807 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c30342_6aza 1 . 3 . 649 . 1 1 9 ARG CG C 15.517 10.342 -9.575 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c30342_6aza 1 . 3 . 650 . 1 1 9 ARG CZ C 13.054 12.527 -11.330 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c30342_6aza 1 . 3 . 651 . 1 1 9 ARG H H 15.338 6.819 -9.238 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c30342_6aza 1 . 3 . 652 . 1 1 9 ARG HA H 15.998 8.975 -7.340 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c30342_6aza 1 . 3 . 653 . 1 1 9 ARG HB2 H 14.005 8.851 -9.593 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c30342_6aza 1 . 3 . 654 . 1 1 9 ARG HB3 H 13.854 10.028 -8.296 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c30342_6aza 1 . 3 . 655 . 1 1 9 ARG HD2 H 15.655 11.413 -11.410 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c30342_6aza 1 . 3 . 656 . 1 1 9 ARG HD3 H 14.388 10.187 -11.373 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c30342_6aza 1 . 3 . 657 . 1 1 9 ARG HE H 13.868 12.287 -9.524 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c30342_6aza 1 . 3 . 658 . 1 1 9 ARG HG2 H 15.820 11.130 -8.902 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c30342_6aza 1 . 3 . 659 . 1 1 9 ARG HG3 H 16.383 9.771 -9.877 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c30342_6aza 1 . 3 . 660 . 1 1 9 ARG HH11 H 13.720 11.441 -12.898 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c30342_6aza 1 . 3 . 661 . 1 1 9 ARG HH12 H 12.433 12.545 -13.253 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c30342_6aza 1 . 3 . 662 . 1 1 9 ARG HH21 H 12.174 13.746 -9.979 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c30342_6aza 1 . 3 . 663 . 1 1 9 ARG HH22 H 11.555 13.857 -11.591 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c30342_6aza 1 . 3 . 664 . 1 1 9 ARG N N 15.875 7.368 -8.631 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c30342_6aza 1 . 3 . 665 . 1 1 9 ARG NE N 13.898 11.987 -10.456 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c30342_6aza 1 . 3 . 666 . 1 1 9 ARG NH1 N 13.070 12.139 -12.598 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c30342_6aza 1 . 3 . 667 . 1 1 9 ARG NH2 N 12.189 13.452 -10.934 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c30342_6aza 1 . 3 . 668 . 1 1 9 ARG O O 13.277 7.188 -7.285 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c30342_6aza 1 . 3 . 669 . 1 1 10 CYS C C 13.261 8.833 -3.535 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30342_6aza 1 . 3 . 670 . 1 1 10 CYS CA C 13.494 7.746 -4.579 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30342_6aza 1 . 3 . 671 . 1 1 10 CYS CB C 14.060 6.492 -3.908 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30342_6aza 1 . 3 . 672 . 1 1 10 CYS H H 15.160 8.776 -5.378 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30342_6aza 1 . 3 . 673 . 1 1 10 CYS HA H 12.549 7.500 -5.041 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30342_6aza 1 . 3 . 674 . 1 1 10 CYS HB2 H 14.233 5.738 -4.662 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30342_6aza 1 . 3 . 675 . 1 1 10 CYS HB3 H 14.997 6.740 -3.432 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30342_6aza 1 . 3 . 676 . 1 1 10 CYS N N 14.397 8.212 -5.624 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30342_6aza 1 . 3 . 677 . 1 1 10 CYS O O 14.163 9.174 -2.767 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30342_6aza 1 . 3 . 678 . 1 1 10 CYS SG S 12.968 5.769 -2.643 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30342_6aza 1 . 3 . 679 . 1 1 11 ARG C C 10.292 10.213 -2.011 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . c30342_6aza 1 . 3 . 680 . 1 1 11 ARG CA C 11.699 10.427 -2.565 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . c30342_6aza 1 . 3 . 681 . 1 1 11 ARG CB C 11.791 11.800 -3.232 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . c30342_6aza 1 . 3 . 682 . 1 1 11 ARG CD C 14.050 12.033 -4.310 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . c30342_6aza 1 . 3 . 683 . 1 1 11 ARG CG C 13.171 12.431 -3.137 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . c30342_6aza 1 . 3 . 684 . 1 1 11 ARG CZ C 16.212 13.115 -3.859 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . c30342_6aza 1 . 3 . 685 . 1 1 11 ARG H H 11.373 9.064 -4.150 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . c30342_6aza 1 . 3 . 686 . 1 1 11 ARG HA H 12.405 10.385 -1.748 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . c30342_6aza 1 . 3 . 687 . 1 1 11 ARG HB2 H 11.541 11.696 -4.279 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . c30342_6aza 1 . 3 . 688 . 1 1 11 ARG HB3 H 11.082 12.463 -2.765 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . c30342_6aza 1 . 3 . 689 . 1 1 11 ARG HD2 H 14.513 11.083 -4.090 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . c30342_6aza 1 . 3 . 690 . 1 1 11 ARG HD3 H 13.432 11.936 -5.190 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . c30342_6aza 1 . 3 . 691 . 1 1 11 ARG HE H 14.956 13.643 -5.315 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . c30342_6aza 1 . 3 . 692 . 1 1 11 ARG HG2 H 13.064 13.506 -3.129 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . c30342_6aza 1 . 3 . 693 . 1 1 11 ARG HG3 H 13.640 12.109 -2.219 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . c30342_6aza 1 . 3 . 694 . 1 1 11 ARG HH11 H 15.749 11.589 -2.619 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . c30342_6aza 1 . 3 . 695 . 1 1 11 ARG HH12 H 17.271 12.360 -2.312 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . c30342_6aza 1 . 3 . 696 . 1 1 11 ARG HH21 H 16.955 14.665 -4.921 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . c30342_6aza 1 . 3 . 697 . 1 1 11 ARG HH22 H 17.955 14.111 -3.622 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . c30342_6aza 1 . 3 . 698 . 1 1 11 ARG N N 12.049 9.377 -3.513 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . c30342_6aza 1 . 3 . 699 . 1 1 11 ARG NE N 15.095 13.020 -4.572 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . c30342_6aza 1 . 3 . 700 . 1 1 11 ARG NH1 N 16.428 12.287 -2.846 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . c30342_6aza 1 . 3 . 701 . 1 1 11 ARG NH2 N 17.115 14.040 -4.159 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . c30342_6aza 1 . 3 . 702 . 1 1 11 ARG O O 9.474 9.499 -2.589 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . c30342_6aza 1 . 3 . 703 . 1 1 12 PRO C C 7.599 11.450 -0.990 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . c30342_6aza 1 . 3 . 704 . 1 1 12 PRO CA C 8.699 10.741 -0.208 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . c30342_6aza 1 . 3 . 705 . 1 1 12 PRO CB C 8.924 11.429 1.142 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . c30342_6aza 1 . 3 . 706 . 1 1 12 PRO CD C 10.932 11.714 -0.121 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . c30342_6aza 1 . 3 . 707 . 1 1 12 PRO CG C 10.050 12.374 0.903 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . c30342_6aza 1 . 3 . 708 . 1 1 12 PRO HA H 8.418 9.711 -0.047 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . c30342_6aza 1 . 3 . 709 . 1 1 12 PRO HB2 H 8.024 11.950 1.437 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . c30342_6aza 1 . 3 . 710 . 1 1 12 PRO HB3 H 9.180 10.690 1.887 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . c30342_6aza 1 . 3 . 711 . 1 1 12 PRO HD2 H 11.373 12.456 -0.772 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . c30342_6aza 1 . 3 . 712 . 1 1 12 PRO HD3 H 11.702 11.131 0.365 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . c30342_6aza 1 . 3 . 713 . 1 1 12 PRO HG2 H 9.669 13.309 0.524 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . c30342_6aza 1 . 3 . 714 . 1 1 12 PRO HG3 H 10.595 12.533 1.821 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . c30342_6aza 1 . 3 . 715 . 1 1 12 PRO N N 10.006 10.846 -0.864 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . c30342_6aza 1 . 3 . 716 . 1 1 12 PRO O O 7.822 12.510 -1.576 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . c30342_6aza 1 . 3 . 717 . 1 1 13 LYS C C 4.589 12.507 -0.857 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c30342_6aza 1 . 3 . 718 . 1 1 13 LYS CA C 5.271 11.436 -1.702 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c30342_6aza 1 . 3 . 719 . 1 1 13 LYS CB C 4.264 10.342 -2.068 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c30342_6aza 1 . 3 . 720 . 1 1 13 LYS CD C 4.060 8.258 -3.455 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c30342_6aza 1 . 3 . 721 . 1 1 13 LYS CE C 4.845 7.445 -4.473 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c30342_6aza 1 . 3 . 722 . 1 1 13 LYS CG C 4.524 9.705 -3.422 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c30342_6aza 1 . 3 . 723 . 1 1 13 LYS H H 6.291 10.017 -0.508 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c30342_6aza 1 . 3 . 724 . 1 1 13 LYS HA H 5.640 11.890 -2.609 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c30342_6aza 1 . 3 . 725 . 1 1 13 LYS HB2 H 4.304 9.568 -1.316 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c30342_6aza 1 . 3 . 726 . 1 1 13 LYS HB3 H 3.273 10.771 -2.079 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c30342_6aza 1 . 3 . 727 . 1 1 13 LYS HD2 H 4.202 7.822 -2.478 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c30342_6aza 1 . 3 . 728 . 1 1 13 LYS HD3 H 3.013 8.230 -3.716 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c30342_6aza 1 . 3 . 729 . 1 1 13 LYS HE2 H 5.892 7.692 -4.382 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c30342_6aza 1 . 3 . 730 . 1 1 13 LYS HE3 H 4.705 6.396 -4.262 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c30342_6aza 1 . 3 . 731 . 1 1 13 LYS HG2 H 3.990 10.259 -4.178 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c30342_6aza 1 . 3 . 732 . 1 1 13 LYS HG3 H 5.584 9.739 -3.630 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c30342_6aza 1 . 3 . 733 . 1 1 13 LYS HZ1 H 5.109 7.370 -6.544 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 3 . 734 . 1 1 13 LYS HZ2 H 4.286 8.748 -6.007 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 3 . 735 . 1 1 13 LYS HZ3 H 3.493 7.253 -6.054 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 3 . 736 . 1 1 13 LYS N N 6.408 10.860 -0.994 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c30342_6aza 1 . 3 . 737 . 1 1 13 LYS NZ N 4.401 7.723 -5.867 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c30342_6aza 1 . 3 . 738 . 1 1 13 LYS O O 4.706 12.533 0.369 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c30342_6aza 1 . 3 . 739 . 1 1 14 PRO C C 1.954 13.997 -0.038 . . . 1.0 . . . . . . . . . . . . A . 14 PRO C . . . . . . . . . c30342_6aza 1 . 3 . 740 . 1 1 14 PRO CA C 3.140 14.500 -0.854 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CA . . . . . . . . . c30342_6aza 1 . 3 . 741 . 1 1 14 PRO CB C 2.660 15.374 -2.013 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CB . . . . . . . . . c30342_6aza 1 . 3 . 742 . 1 1 14 PRO CD C 3.672 13.441 -2.985 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CD . . . . . . . . . c30342_6aza 1 . 3 . 743 . 1 1 14 PRO CG C 2.574 14.449 -3.178 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CG . . . . . . . . . c30342_6aza 1 . 3 . 744 . 1 1 14 PRO HA H 3.797 15.073 -0.217 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HA . . . . . . . . . c30342_6aza 1 . 3 . 745 . 1 1 14 PRO HB2 H 1.694 15.797 -1.773 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB2 . . . . . . . . . c30342_6aza 1 . 3 . 746 . 1 1 14 PRO HB3 H 3.371 16.168 -2.191 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB3 . . . . . . . . . c30342_6aza 1 . 3 . 747 . 1 1 14 PRO HD2 H 3.366 12.473 -3.355 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD2 . . . . . . . . . c30342_6aza 1 . 3 . 748 . 1 1 14 PRO HD3 H 4.575 13.767 -3.480 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD3 . . . . . . . . . c30342_6aza 1 . 3 . 749 . 1 1 14 PRO HG2 H 1.612 13.959 -3.187 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG2 . . . . . . . . . c30342_6aza 1 . 3 . 750 . 1 1 14 PRO HG3 H 2.726 14.998 -4.095 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG3 . . . . . . . . . c30342_6aza 1 . 3 . 751 . 1 1 14 PRO N N 3.857 13.411 -1.525 . . . 1.0 . . . . . . . . . . . . A . 14 PRO N . . . . . . . . . c30342_6aza 1 . 3 . 752 . 1 1 14 PRO O O 1.628 14.555 1.008 . . . 1.0 . . . . . . . . . . . . A . 14 PRO O . . . . . . . . . c30342_6aza 1 . 3 . 753 . 1 1 15 ASN C C 0.569 11.125 0.958 . . . 1.0 . . . . . . . . . . . . A . 15 ASN C . . . . . . . . . c30342_6aza 1 . 3 . 754 . 1 1 15 ASN CA C 0.162 12.360 0.160 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CA . . . . . . . . . c30342_6aza 1 . 3 . 755 . 1 1 15 ASN CB C -0.927 11.995 -0.851 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CB . . . . . . . . . c30342_6aza 1 . 3 . 756 . 1 1 15 ASN CG C -0.379 11.221 -2.036 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CG . . . . . . . . . c30342_6aza 1 . 3 . 757 . 1 1 15 ASN H H 1.622 12.537 -1.364 . . . 1.0 . . . . . . . . . . . . A . 15 ASN H . . . . . . . . . c30342_6aza 1 . 3 . 758 . 1 1 15 ASN HA H -0.225 13.104 0.840 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HA . . . . . . . . . c30342_6aza 1 . 3 . 759 . 1 1 15 ASN HB2 H -1.671 11.384 -0.361 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB2 . . . . . . . . . c30342_6aza 1 . 3 . 760 . 1 1 15 ASN HB3 H -1.390 12.898 -1.215 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB3 . . . . . . . . . c30342_6aza 1 . 3 . 761 . 1 1 15 ASN HD21 H -0.399 9.537 -0.979 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD21 . . . . . . . . . c30342_6aza 1 . 3 . 762 . 1 1 15 ASN HD22 H 0.170 9.398 -2.605 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD22 . . . . . . . . . c30342_6aza 1 . 3 . 763 . 1 1 15 ASN N N 1.313 12.939 -0.525 . . . 1.0 . . . . . . . . . . . . A . 15 ASN N . . . . . . . . . c30342_6aza 1 . 3 . 764 . 1 1 15 ASN ND2 N -0.184 9.920 -1.855 . . . 1.0 . . . . . . . . . . . . A . 15 ASN ND2 . . . . . . . . . c30342_6aza 1 . 3 . 765 . 1 1 15 ASN O O -0.049 10.797 1.971 . . . 1.0 . . . . . . . . . . . . A . 15 ASN O . . . . . . . . . c30342_6aza 1 . 3 . 766 . 1 1 15 ASN OD1 O -0.137 11.789 -3.102 . . . 1.0 . . . . . . . . . . . . A . 15 ASN OD1 . . . . . . . . . c30342_6aza 1 . 3 . 767 . 1 1 16 CYS C C 3.498 9.474 1.734 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c30342_6aza 1 . 3 . 768 . 1 1 16 CYS CA C 2.102 9.246 1.164 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c30342_6aza 1 . 3 . 769 . 1 1 16 CYS CB C 2.123 8.066 0.191 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c30342_6aza 1 . 3 . 770 . 1 1 16 CYS H H 2.063 10.756 -0.319 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c30342_6aza 1 . 3 . 771 . 1 1 16 CYS HA H 1.427 9.020 1.975 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c30342_6aza 1 . 3 . 772 . 1 1 16 CYS HB2 H 1.111 7.846 -0.118 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c30342_6aza 1 . 3 . 773 . 1 1 16 CYS HB3 H 2.707 8.335 -0.677 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c30342_6aza 1 . 3 . 774 . 1 1 16 CYS N N 1.612 10.445 0.494 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c30342_6aza 1 . 3 . 775 . 1 1 16 CYS O O 4.416 9.872 1.018 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c30342_6aza 1 . 3 . 776 . 1 1 16 CYS SG S 2.833 6.540 0.887 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c30342_6aza 1 . 3 . 777 . 1 1 17 GLY C C 5.051 8.625 4.972 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c30342_6aza 1 . 3 . 778 . 1 1 17 GLY CA C 4.938 9.402 3.676 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c30342_6aza 1 . 3 . 779 . 1 1 17 GLY H H 2.884 8.905 3.552 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c30342_6aza 1 . 3 . 780 . 1 1 17 GLY HA2 H 5.716 9.076 3.003 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c30342_6aza 1 . 3 . 781 . 1 1 17 GLY HA3 H 5.076 10.453 3.887 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c30342_6aza 1 . 3 . 782 . 1 1 17 GLY N N 3.651 9.220 3.031 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c30342_6aza 1 . 3 . 783 . 1 1 17 GLY O O 4.853 7.411 4.995 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c30342_6aza 1 . 3 . 784 . 1 1 18 NH2 HN1 H 5.521 10.292 5.973 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . c30342_6aza 1 . 3 . 785 . 1 1 18 NH2 HN2 H 5.471 8.893 6.951 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . c30342_6aza 1 . 3 . 786 . 1 1 18 NH2 N N 5.374 9.326 6.055 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . c30342_6aza 1 . 4 . 787 . 1 1 1 ARG C C 4.016 2.087 -0.391 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30342_6aza 1 . 4 . 788 . 1 1 1 ARG CA C 5.337 1.707 0.268 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30342_6aza 1 . 4 . 789 . 1 1 1 ARG CB C 6.470 1.776 -0.757 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30342_6aza 1 . 4 . 790 . 1 1 1 ARG CD C 7.554 0.694 -2.751 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30342_6aza 1 . 4 . 791 . 1 1 1 ARG CG C 6.273 0.851 -1.947 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30342_6aza 1 . 4 . 792 . 1 1 1 ARG CZ C 7.766 -1.750 -2.902 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30342_6aza 1 . 4 . 793 . 1 1 1 ARG H1 H 5.587 -0.393 0.332 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30342_6aza 1 . 4 . 794 . 1 1 1 ARG HA H 5.543 2.406 1.065 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30342_6aza 1 . 4 . 795 . 1 1 1 ARG HB2 H 6.545 2.789 -1.127 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30342_6aza 1 . 4 . 796 . 1 1 1 ARG HB3 H 7.396 1.510 -0.272 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30342_6aza 1 . 4 . 797 . 1 1 1 ARG HD2 H 7.622 1.511 -3.455 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30342_6aza 1 . 4 . 798 . 1 1 1 ARG HD3 H 8.395 0.732 -2.074 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30342_6aza 1 . 4 . 799 . 1 1 1 ARG HE H 7.478 -0.533 -4.455 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30342_6aza 1 . 4 . 800 . 1 1 1 ARG HG2 H 5.966 -0.121 -1.587 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30342_6aza 1 . 4 . 801 . 1 1 1 ARG HG3 H 5.505 1.260 -2.585 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30342_6aza 1 . 4 . 802 . 1 1 1 ARG HH11 H 7.903 -0.999 -1.031 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30342_6aza 1 . 4 . 803 . 1 1 1 ARG HH12 H 8.050 -2.721 -1.153 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30342_6aza 1 . 4 . 804 . 1 1 1 ARG HH21 H 7.672 -2.799 -4.628 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30342_6aza 1 . 4 . 805 . 1 1 1 ARG HH22 H 7.919 -3.744 -3.198 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30342_6aza 1 . 4 . 806 . 1 1 1 ARG N N 5.263 0.373 0.851 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30342_6aza 1 . 4 . 807 . 1 1 1 ARG NE N 7.590 -0.568 -3.484 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30342_6aza 1 . 4 . 808 . 1 1 1 ARG NH1 N 7.920 -1.830 -1.588 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30342_6aza 1 . 4 . 809 . 1 1 1 ARG NH2 N 7.787 -2.855 -3.637 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30342_6aza 1 . 4 . 810 . 1 1 1 ARG O O 3.139 1.245 -0.580 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30342_6aza 1 . 4 . 811 . 1 1 2 CYS C C 2.752 3.716 -2.894 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c30342_6aza 1 . 4 . 812 . 1 1 2 CYS CA C 2.665 3.857 -1.378 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c30342_6aza 1 . 4 . 813 . 1 1 2 CYS CB C 2.426 5.321 -1.002 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c30342_6aza 1 . 4 . 814 . 1 1 2 CYS H H 4.615 3.988 -0.563 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c30342_6aza 1 . 4 . 815 . 1 1 2 CYS HA H 1.838 3.263 -1.019 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c30342_6aza 1 . 4 . 816 . 1 1 2 CYS HB2 H 2.695 5.467 0.033 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c30342_6aza 1 . 4 . 817 . 1 1 2 CYS HB3 H 3.049 5.949 -1.623 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c30342_6aza 1 . 4 . 818 . 1 1 2 CYS N N 3.880 3.363 -0.740 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c30342_6aza 1 . 4 . 819 . 1 1 2 CYS O O 2.011 2.943 -3.500 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c30342_6aza 1 . 4 . 820 . 1 1 2 CYS SG S 0.701 5.870 -1.208 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c30342_6aza 1 . 4 . 821 . 1 1 3 LYS C C 5.258 3.972 -5.302 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . c30342_6aza 1 . 4 . 822 . 1 1 3 LYS CA C 3.847 4.431 -4.948 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . c30342_6aza 1 . 4 . 823 . 1 1 3 LYS CB C 3.579 5.809 -5.555 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . c30342_6aza 1 . 4 . 824 . 1 1 3 LYS CD C 1.824 5.239 -7.259 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . c30342_6aza 1 . 4 . 825 . 1 1 3 LYS CE C 0.778 6.304 -6.966 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . c30342_6aza 1 . 4 . 826 . 1 1 3 LYS CG C 3.231 5.765 -7.033 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . c30342_6aza 1 . 4 . 827 . 1 1 3 LYS H H 4.222 5.068 -2.964 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . c30342_6aza 1 . 4 . 828 . 1 1 3 LYS HA H 3.139 3.724 -5.353 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . c30342_6aza 1 . 4 . 829 . 1 1 3 LYS HB2 H 2.756 6.269 -5.028 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . c30342_6aza 1 . 4 . 830 . 1 1 3 LYS HB3 H 4.461 6.422 -5.432 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . c30342_6aza 1 . 4 . 831 . 1 1 3 LYS HD2 H 1.727 4.930 -8.289 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . c30342_6aza 1 . 4 . 832 . 1 1 3 LYS HD3 H 1.657 4.392 -6.610 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . c30342_6aza 1 . 4 . 833 . 1 1 3 LYS HE2 H -0.135 5.818 -6.658 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . c30342_6aza 1 . 4 . 834 . 1 1 3 LYS HE3 H 1.138 6.931 -6.164 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . c30342_6aza 1 . 4 . 835 . 1 1 3 LYS HG2 H 3.301 6.764 -7.441 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . c30342_6aza 1 . 4 . 836 . 1 1 3 LYS HG3 H 3.933 5.119 -7.540 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . c30342_6aza 1 . 4 . 837 . 1 1 3 LYS HZ1 H 0.806 6.664 -9.023 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 4 . 838 . 1 1 3 LYS HZ2 H 1.007 8.054 -8.082 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 4 . 839 . 1 1 3 LYS HZ3 H -0.522 7.345 -8.227 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 4 . 840 . 1 1 3 LYS N N 3.661 4.471 -3.502 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . c30342_6aza 1 . 4 . 841 . 1 1 3 LYS NZ N 0.497 7.151 -8.158 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . c30342_6aza 1 . 4 . 842 . 1 1 3 LYS O O 6.194 4.150 -4.523 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . c30342_6aza 1 . 4 . 843 . 1 1 4 THR C C 7.668 4.055 -7.174 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30342_6aza 1 . 4 . 844 . 1 1 4 THR CA C 6.700 2.900 -6.942 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30342_6aza 1 . 4 . 845 . 1 1 4 THR CB C 6.568 2.086 -8.244 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30342_6aza 1 . 4 . 846 . 1 1 4 THR CG2 C 6.088 2.967 -9.386 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30342_6aza 1 . 4 . 847 . 1 1 4 THR H H 4.619 3.269 -7.061 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30342_6aza 1 . 4 . 848 . 1 1 4 THR HA H 7.104 2.252 -6.177 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30342_6aza 1 . 4 . 849 . 1 1 4 THR HB H 5.846 1.299 -8.087 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30342_6aza 1 . 4 . 850 . 1 1 4 THR HG1 H 8.353 2.131 -9.086 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30342_6aza 1 . 4 . 851 . 1 1 4 THR HG21 H 5.432 3.732 -8.999 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30342_6aza 1 . 4 . 852 . 1 1 4 THR HG22 H 5.554 2.365 -10.107 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30342_6aza 1 . 4 . 853 . 1 1 4 THR HG23 H 6.937 3.431 -9.865 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30342_6aza 1 . 4 . 854 . 1 1 4 THR N N 5.404 3.383 -6.484 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30342_6aza 1 . 4 . 855 . 1 1 4 THR O O 7.254 5.170 -7.495 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30342_6aza 1 . 4 . 856 . 1 1 4 THR OG1 O 7.830 1.500 -8.585 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30342_6aza 1 . 4 . 857 . 1 1 5 CYS C C 10.729 4.580 -8.518 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30342_6aza 1 . 4 . 858 . 1 1 5 CYS CA C 9.985 4.799 -7.204 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30342_6aza 1 . 4 . 859 . 1 1 5 CYS CB C 10.974 4.781 -6.038 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30342_6aza 1 . 4 . 860 . 1 1 5 CYS H H 9.227 2.874 -6.757 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30342_6aza 1 . 4 . 861 . 1 1 5 CYS HA H 9.497 5.761 -7.237 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30342_6aza 1 . 4 . 862 . 1 1 5 CYS HB2 H 11.159 3.756 -5.748 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30342_6aza 1 . 4 . 863 . 1 1 5 CYS HB3 H 11.902 5.232 -6.354 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30342_6aza 1 . 4 . 864 . 1 1 5 CYS N N 8.957 3.781 -7.012 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30342_6aza 1 . 4 . 865 . 1 1 5 CYS O O 10.555 3.555 -9.179 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30342_6aza 1 . 4 . 866 . 1 1 5 CYS SG S 10.397 5.677 -4.560 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30342_6aza 1 . 4 . 867 . 1 1 6 SER C C 13.667 4.786 -9.890 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . c30342_6aza 1 . 4 . 868 . 1 1 6 SER CA C 12.324 5.466 -10.129 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . c30342_6aza 1 . 4 . 869 . 1 1 6 SER CB C 12.542 6.863 -10.715 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . c30342_6aza 1 . 4 . 870 . 1 1 6 SER H H 11.651 6.343 -8.324 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . c30342_6aza 1 . 4 . 871 . 1 1 6 SER HA H 11.754 4.875 -10.833 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . c30342_6aza 1 . 4 . 872 . 1 1 6 SER HB2 H 13.311 7.370 -10.152 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . c30342_6aza 1 . 4 . 873 . 1 1 6 SER HB3 H 12.851 6.773 -11.747 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . c30342_6aza 1 . 4 . 874 . 1 1 6 SER HG H 11.117 7.923 -11.542 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . c30342_6aza 1 . 4 . 875 . 1 1 6 SER N N 11.555 5.550 -8.893 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . c30342_6aza 1 . 4 . 876 . 1 1 6 SER O O 14.113 4.647 -8.750 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . c30342_6aza 1 . 4 . 877 . 1 1 6 SER OG O 11.353 7.631 -10.660 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . c30342_6aza 1 . 4 . 878 . 1 1 7 LYS C C 16.686 4.672 -10.429 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30342_6aza 1 . 4 . 879 . 1 1 7 LYS CA C 15.605 3.697 -10.883 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30342_6aza 1 . 4 . 880 . 1 1 7 LYS CB C 15.984 3.092 -12.236 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30342_6aza 1 . 4 . 881 . 1 1 7 LYS CD C 16.106 0.631 -11.738 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30342_6aza 1 . 4 . 882 . 1 1 7 LYS CE C 17.024 -0.465 -11.221 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30342_6aza 1 . 4 . 883 . 1 1 7 LYS CG C 16.889 1.876 -12.126 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30342_6aza 1 . 4 . 884 . 1 1 7 LYS H H 13.905 4.501 -11.855 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30342_6aza 1 . 4 . 885 . 1 1 7 LYS HA H 15.521 2.906 -10.154 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30342_6aza 1 . 4 . 886 . 1 1 7 LYS HB2 H 15.083 2.797 -12.751 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30342_6aza 1 . 4 . 887 . 1 1 7 LYS HB3 H 16.495 3.842 -12.822 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30342_6aza 1 . 4 . 888 . 1 1 7 LYS HD2 H 15.399 0.889 -10.965 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30342_6aza 1 . 4 . 889 . 1 1 7 LYS HD3 H 15.576 0.266 -12.606 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30342_6aza 1 . 4 . 890 . 1 1 7 LYS HE2 H 17.763 -0.684 -11.976 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30342_6aza 1 . 4 . 891 . 1 1 7 LYS HE3 H 17.517 -0.111 -10.327 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30342_6aza 1 . 4 . 892 . 1 1 7 LYS HG2 H 17.366 1.706 -13.079 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30342_6aza 1 . 4 . 893 . 1 1 7 LYS HG3 H 17.641 2.066 -11.373 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30342_6aza 1 . 4 . 894 . 1 1 7 LYS HZ1 H 16.893 -2.539 -11.012 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 4 . 895 . 1 1 7 LYS HZ2 H 15.460 -1.812 -11.539 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 4 . 896 . 1 1 7 LYS HZ3 H 15.928 -1.679 -9.920 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 4 . 897 . 1 1 7 LYS N N 14.310 4.362 -10.973 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30342_6aza 1 . 4 . 898 . 1 1 7 LYS NZ N 16.274 -1.711 -10.900 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30342_6aza 1 . 4 . 899 . 1 1 7 LYS O O 17.202 5.458 -11.225 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30342_6aza 1 . 4 . 900 . 1 1 8 GLY C C 17.460 6.696 -7.891 . . . 1.0 . . . . . . . . . . . . A . 8 GLY C . . . . . . . . . c30342_6aza 1 . 4 . 901 . 1 1 8 GLY CA C 18.048 5.497 -8.610 . . . 1.0 . . . . . . . . . . . . A . 8 GLY CA . . . . . . . . . c30342_6aza 1 . 4 . 902 . 1 1 8 GLY H H 16.584 3.969 -8.558 . . . 1.0 . . . . . . . . . . . . A . 8 GLY H . . . . . . . . . c30342_6aza 1 . 4 . 903 . 1 1 8 GLY HA2 H 18.662 4.941 -7.917 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA2 . . . . . . . . . c30342_6aza 1 . 4 . 904 . 1 1 8 GLY HA3 H 18.668 5.848 -9.422 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA3 . . . . . . . . . c30342_6aza 1 . 4 . 905 . 1 1 8 GLY N N 17.029 4.615 -9.146 . . . 1.0 . . . . . . . . . . . . A . 8 GLY N . . . . . . . . . c30342_6aza 1 . 4 . 906 . 1 1 8 GLY O O 18.082 7.253 -6.988 . . . 1.0 . . . . . . . . . . . . A . 8 GLY O . . . . . . . . . c30342_6aza 1 . 4 . 907 . 1 1 9 ARG C C 14.330 7.789 -6.936 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c30342_6aza 1 . 4 . 908 . 1 1 9 ARG CA C 15.585 8.233 -7.683 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c30342_6aza 1 . 4 . 909 . 1 1 9 ARG CB C 15.218 9.267 -8.749 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c30342_6aza 1 . 4 . 910 . 1 1 9 ARG CD C 16.098 10.863 -10.478 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c30342_6aza 1 . 4 . 911 . 1 1 9 ARG CG C 16.384 10.149 -9.167 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c30342_6aza 1 . 4 . 912 . 1 1 9 ARG CZ C 16.894 13.162 -10.122 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c30342_6aza 1 . 4 . 913 . 1 1 9 ARG H H 15.810 6.605 -9.017 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c30342_6aza 1 . 4 . 914 . 1 1 9 ARG HA H 16.269 8.681 -6.978 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c30342_6aza 1 . 4 . 915 . 1 1 9 ARG HB2 H 14.856 8.750 -9.625 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c30342_6aza 1 . 4 . 916 . 1 1 9 ARG HB3 H 14.434 9.901 -8.363 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c30342_6aza 1 . 4 . 917 . 1 1 9 ARG HD2 H 16.199 10.154 -11.287 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c30342_6aza 1 . 4 . 918 . 1 1 9 ARG HD3 H 15.088 11.242 -10.455 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c30342_6aza 1 . 4 . 919 . 1 1 9 ARG HE H 17.762 11.830 -11.326 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c30342_6aza 1 . 4 . 920 . 1 1 9 ARG HG2 H 16.557 10.888 -8.398 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c30342_6aza 1 . 4 . 921 . 1 1 9 ARG HG3 H 17.264 9.535 -9.283 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c30342_6aza 1 . 4 . 922 . 1 1 9 ARG HH11 H 15.235 12.665 -9.082 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c30342_6aza 1 . 4 . 923 . 1 1 9 ARG HH12 H 15.805 14.283 -8.840 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c30342_6aza 1 . 4 . 924 . 1 1 9 ARG HH21 H 18.523 13.958 -11.016 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c30342_6aza 1 . 4 . 925 . 1 1 9 ARG HH22 H 17.675 15.017 -9.941 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c30342_6aza 1 . 4 . 926 . 1 1 9 ARG N N 16.257 7.090 -8.292 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c30342_6aza 1 . 4 . 927 . 1 1 9 ARG NE N 17.017 11.976 -10.707 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c30342_6aza 1 . 4 . 928 . 1 1 9 ARG NH1 N 15.896 13.389 -9.279 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c30342_6aza 1 . 4 . 929 . 1 1 9 ARG NH2 N 17.769 14.124 -10.380 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c30342_6aza 1 . 4 . 930 . 1 1 9 ARG O O 13.415 7.214 -7.526 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c30342_6aza 1 . 4 . 931 . 1 1 10 CYS C C 12.910 8.730 -3.718 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30342_6aza 1 . 4 . 932 . 1 1 10 CYS CA C 13.152 7.691 -4.808 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30342_6aza 1 . 4 . 933 . 1 1 10 CYS CB C 13.380 6.316 -4.176 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30342_6aza 1 . 4 . 934 . 1 1 10 CYS H H 15.054 8.522 -5.223 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30342_6aza 1 . 4 . 935 . 1 1 10 CYS HA H 12.281 7.644 -5.444 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30342_6aza 1 . 4 . 936 . 1 1 10 CYS HB2 H 13.625 5.607 -4.952 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30342_6aza 1 . 4 . 937 . 1 1 10 CYS HB3 H 14.203 6.380 -3.480 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30342_6aza 1 . 4 . 938 . 1 1 10 CYS N N 14.293 8.062 -5.637 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30342_6aza 1 . 4 . 939 . 1 1 10 CYS O O 13.744 8.922 -2.833 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30342_6aza 1 . 4 . 940 . 1 1 10 CYS SG S 11.937 5.667 -3.270 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30342_6aza 1 . 4 . 941 . 1 1 11 ARG C C 10.042 10.139 -2.202 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . c30342_6aza 1 . 4 . 942 . 1 1 11 ARG CA C 11.412 10.421 -2.811 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . c30342_6aza 1 . 4 . 943 . 1 1 11 ARG CB C 11.419 11.805 -3.461 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . c30342_6aza 1 . 4 . 944 . 1 1 11 ARG CD C 12.782 13.763 -4.251 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . c30342_6aza 1 . 4 . 945 . 1 1 11 ARG CG C 12.772 12.494 -3.412 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . c30342_6aza 1 . 4 . 946 . 1 1 11 ARG CZ C 15.134 13.991 -4.932 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . c30342_6aza 1 . 4 . 947 . 1 1 11 ARG H H 11.139 9.201 -4.519 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . c30342_6aza 1 . 4 . 948 . 1 1 11 ARG HA H 12.154 10.397 -2.027 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . c30342_6aza 1 . 4 . 949 . 1 1 11 ARG HB2 H 11.127 11.705 -4.496 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . c30342_6aza 1 . 4 . 950 . 1 1 11 ARG HB3 H 10.702 12.431 -2.953 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . c30342_6aza 1 . 4 . 951 . 1 1 11 ARG HD2 H 12.531 13.506 -5.271 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . c30342_6aza 1 . 4 . 952 . 1 1 11 ARG HD3 H 12.042 14.443 -3.859 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . c30342_6aza 1 . 4 . 953 . 1 1 11 ARG HE H 14.186 15.218 -3.679 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . c30342_6aza 1 . 4 . 954 . 1 1 11 ARG HG2 H 12.999 12.751 -2.389 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . c30342_6aza 1 . 4 . 955 . 1 1 11 ARG HG3 H 13.525 11.816 -3.790 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . c30342_6aza 1 . 4 . 956 . 1 1 11 ARG HH11 H 14.161 12.420 -5.749 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . c30342_6aza 1 . 4 . 957 . 1 1 11 ARG HH12 H 15.819 12.592 -6.220 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . c30342_6aza 1 . 4 . 958 . 1 1 11 ARG HH21 H 16.371 15.456 -4.291 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . c30342_6aza 1 . 4 . 959 . 1 1 11 ARG HH22 H 17.076 14.318 -5.390 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . c30342_6aza 1 . 4 . 960 . 1 1 11 ARG N N 11.763 9.399 -3.790 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . c30342_6aza 1 . 4 . 961 . 1 1 11 ARG NE N 14.087 14.418 -4.235 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . c30342_6aza 1 . 4 . 962 . 1 1 11 ARG NH1 N 15.030 12.911 -5.695 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . c30342_6aza 1 . 4 . 963 . 1 1 11 ARG NH2 N 16.289 14.641 -4.866 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . c30342_6aza 1 . 4 . 964 . 1 1 11 ARG O O 9.229 9.399 -2.755 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . c30342_6aza 1 . 4 . 965 . 1 1 12 PRO C C 7.345 11.247 -1.046 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . c30342_6aza 1 . 4 . 966 . 1 1 12 PRO CA C 8.508 10.574 -0.323 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . c30342_6aza 1 . 4 . 967 . 1 1 12 PRO CB C 8.762 11.252 1.027 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . c30342_6aza 1 . 4 . 968 . 1 1 12 PRO CD C 10.701 11.640 -0.317 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . c30342_6aza 1 . 4 . 969 . 1 1 12 PRO CG C 9.836 12.246 0.754 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . c30342_6aza 1 . 4 . 970 . 1 1 12 PRO HA H 8.276 9.530 -0.166 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . c30342_6aza 1 . 4 . 971 . 1 1 12 PRO HB2 H 7.856 11.730 1.368 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . c30342_6aza 1 . 4 . 972 . 1 1 12 PRO HB3 H 9.081 10.514 1.749 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . c30342_6aza 1 . 4 . 973 . 1 1 12 PRO HD2 H 11.082 12.408 -0.974 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . c30342_6aza 1 . 4 . 974 . 1 1 12 PRO HD3 H 11.513 11.083 0.126 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . c30342_6aza 1 . 4 . 975 . 1 1 12 PRO HG2 H 9.401 13.171 0.405 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . c30342_6aza 1 . 4 . 976 . 1 1 12 PRO HG3 H 10.414 12.417 1.651 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . c30342_6aza 1 . 4 . 977 . 1 1 12 PRO N N 9.778 10.744 -1.034 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . c30342_6aza 1 . 4 . 978 . 1 1 12 PRO O O 7.499 12.324 -1.624 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . c30342_6aza 1 . 4 . 979 . 1 1 13 LYS C C 4.429 12.326 -0.873 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c30342_6aza 1 . 4 . 980 . 1 1 13 LYS CA C 4.992 11.144 -1.658 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c30342_6aza 1 . 4 . 981 . 1 1 13 LYS CB C 3.926 10.055 -1.795 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c30342_6aza 1 . 4 . 982 . 1 1 13 LYS CD C 5.094 8.211 -3.038 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c30342_6aza 1 . 4 . 983 . 1 1 13 LYS CE C 6.430 8.742 -3.532 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c30342_6aza 1 . 4 . 984 . 1 1 13 LYS CG C 4.014 9.279 -3.098 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c30342_6aza 1 . 4 . 985 . 1 1 13 LYS H H 6.121 9.754 -0.531 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c30342_6aza 1 . 4 . 986 . 1 1 13 LYS HA H 5.276 11.485 -2.642 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c30342_6aza 1 . 4 . 987 . 1 1 13 LYS HB2 H 4.032 9.359 -0.977 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c30342_6aza 1 . 4 . 988 . 1 1 13 LYS HB3 H 2.949 10.516 -1.741 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c30342_6aza 1 . 4 . 989 . 1 1 13 LYS HD2 H 5.205 7.881 -2.017 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c30342_6aza 1 . 4 . 990 . 1 1 13 LYS HD3 H 4.796 7.377 -3.657 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c30342_6aza 1 . 4 . 991 . 1 1 13 LYS HE2 H 6.485 9.798 -3.318 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c30342_6aza 1 . 4 . 992 . 1 1 13 LYS HE3 H 7.222 8.227 -3.009 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c30342_6aza 1 . 4 . 993 . 1 1 13 LYS HG2 H 3.063 8.804 -3.288 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c30342_6aza 1 . 4 . 994 . 1 1 13 LYS HG3 H 4.243 9.966 -3.900 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c30342_6aza 1 . 4 . 995 . 1 1 13 LYS HZ1 H 7.591 8.709 -5.269 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 4 . 996 . 1 1 13 LYS HZ2 H 5.990 9.192 -5.524 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 4 . 997 . 1 1 13 LYS HZ3 H 6.349 7.561 -5.253 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 4 . 998 . 1 1 13 LYS N N 6.181 10.608 -1.009 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c30342_6aza 1 . 4 . 999 . 1 1 13 LYS NZ N 6.603 8.537 -4.997 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c30342_6aza 1 . 4 . 1000 . 1 1 13 LYS O O 4.675 12.480 0.324 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c30342_6aza 1 . 4 . 1001 . 1 1 14 PRO C C 1.932 13.990 0.037 . . . 1.0 . . . . . . . . . . . . A . 14 PRO C . . . . . . . . . c30342_6aza 1 . 4 . 1002 . 1 1 14 PRO CA C 3.039 14.359 -0.944 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CA . . . . . . . . . c30342_6aza 1 . 4 . 1003 . 1 1 14 PRO CB C 2.462 15.121 -2.140 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CB . . . . . . . . . c30342_6aza 1 . 4 . 1004 . 1 1 14 PRO CD C 3.320 13.056 -2.987 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CD . . . . . . . . . c30342_6aza 1 . 4 . 1005 . 1 1 14 PRO CG C 2.232 14.078 -3.179 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CG . . . . . . . . . c30342_6aza 1 . 4 . 1006 . 1 1 14 PRO HA H 3.774 14.974 -0.444 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HA . . . . . . . . . c30342_6aza 1 . 4 . 1007 . 1 1 14 PRO HB2 H 1.538 15.602 -1.852 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB2 . . . . . . . . . c30342_6aza 1 . 4 . 1008 . 1 1 14 PRO HB3 H 3.171 15.862 -2.475 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB3 . . . . . . . . . c30342_6aza 1 . 4 . 1009 . 1 1 14 PRO HD2 H 2.952 12.067 -3.214 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD2 . . . . . . . . . c30342_6aza 1 . 4 . 1010 . 1 1 14 PRO HD3 H 4.173 13.294 -3.605 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD3 . . . . . . . . . c30342_6aza 1 . 4 . 1011 . 1 1 14 PRO HG2 H 1.263 13.625 -3.037 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG2 . . . . . . . . . c30342_6aza 1 . 4 . 1012 . 1 1 14 PRO HG3 H 2.302 14.518 -4.162 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG3 . . . . . . . . . c30342_6aza 1 . 4 . 1013 . 1 1 14 PRO N N 3.654 13.179 -1.559 . . . 1.0 . . . . . . . . . . . . A . 14 PRO N . . . . . . . . . c30342_6aza 1 . 4 . 1014 . 1 1 14 PRO O O 1.756 14.647 1.062 . . . 1.0 . . . . . . . . . . . . A . 14 PRO O . . . . . . . . . c30342_6aza 1 . 4 . 1015 . 1 1 15 ASN C C 0.517 11.258 1.380 . . . 1.0 . . . . . . . . . . . . A . 15 ASN C . . . . . . . . . c30342_6aza 1 . 4 . 1016 . 1 1 15 ASN CA C 0.098 12.481 0.571 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CA . . . . . . . . . c30342_6aza 1 . 4 . 1017 . 1 1 15 ASN CB C -1.134 12.151 -0.272 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CB . . . . . . . . . c30342_6aza 1 . 4 . 1018 . 1 1 15 ASN CG C -1.981 13.376 -0.563 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CG . . . . . . . . . c30342_6aza 1 . 4 . 1019 . 1 1 15 ASN H H 1.378 12.453 -1.115 . . . 1.0 . . . . . . . . . . . . A . 15 ASN H . . . . . . . . . c30342_6aza 1 . 4 . 1020 . 1 1 15 ASN HA H -0.145 13.283 1.251 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HA . . . . . . . . . c30342_6aza 1 . 4 . 1021 . 1 1 15 ASN HB2 H -0.816 11.727 -1.214 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB2 . . . . . . . . . c30342_6aza 1 . 4 . 1022 . 1 1 15 ASN HB3 H -1.743 11.431 0.255 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB3 . . . . . . . . . c30342_6aza 1 . 4 . 1023 . 1 1 15 ASN HD21 H -2.333 13.622 1.380 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD21 . . . . . . . . . c30342_6aza 1 . 4 . 1024 . 1 1 15 ASN HD22 H -3.065 14.783 0.330 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD22 . . . . . . . . . c30342_6aza 1 . 4 . 1025 . 1 1 15 ASN N N 1.189 12.936 -0.284 . . . 1.0 . . . . . . . . . . . . A . 15 ASN N . . . . . . . . . c30342_6aza 1 . 4 . 1026 . 1 1 15 ASN ND2 N -2.514 13.988 0.488 . . . 1.0 . . . . . . . . . . . . A . 15 ASN ND2 . . . . . . . . . c30342_6aza 1 . 4 . 1027 . 1 1 15 ASN O O 0.013 11.026 2.481 . . . 1.0 . . . . . . . . . . . . A . 15 ASN O . . . . . . . . . c30342_6aza 1 . 4 . 1028 . 1 1 15 ASN OD1 O -2.154 13.765 -1.717 . . . 1.0 . . . . . . . . . . . . A . 15 ASN OD1 . . . . . . . . . c30342_6aza 1 . 4 . 1029 . 1 1 16 CYS C C 3.315 9.511 2.093 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c30342_6aza 1 . 4 . 1030 . 1 1 16 CYS CA C 1.928 9.277 1.500 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c30342_6aza 1 . 4 . 1031 . 1 1 16 CYS CB C 1.970 8.104 0.520 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c30342_6aza 1 . 4 . 1032 . 1 1 16 CYS H H 1.804 10.715 -0.049 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c30342_6aza 1 . 4 . 1033 . 1 1 16 CYS HA H 1.243 9.043 2.300 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c30342_6aza 1 . 4 . 1034 . 1 1 16 CYS HB2 H 2.255 8.470 -0.456 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c30342_6aza 1 . 4 . 1035 . 1 1 16 CYS HB3 H 2.706 7.388 0.859 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c30342_6aza 1 . 4 . 1036 . 1 1 16 CYS N N 1.441 10.478 0.830 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c30342_6aza 1 . 4 . 1037 . 1 1 16 CYS O O 4.260 9.840 1.377 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c30342_6aza 1 . 4 . 1038 . 1 1 16 CYS SG S 0.385 7.227 0.341 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c30342_6aza 1 . 4 . 1039 . 1 1 17 GLY C C 4.578 10.385 5.321 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c30342_6aza 1 . 4 . 1040 . 1 1 17 GLY CA C 4.702 9.531 4.074 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c30342_6aza 1 . 4 . 1041 . 1 1 17 GLY H H 2.640 9.073 3.926 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c30342_6aza 1 . 4 . 1042 . 1 1 17 GLY HA2 H 5.103 8.568 4.347 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c30342_6aza 1 . 4 . 1043 . 1 1 17 GLY HA3 H 5.384 10.013 3.388 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c30342_6aza 1 . 4 . 1044 . 1 1 17 GLY N N 3.427 9.337 3.406 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c30342_6aza 1 . 4 . 1045 . 1 1 17 GLY O O 3.911 11.419 5.309 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c30342_6aza 1 . 4 . 1046 . 1 1 18 NH2 HN1 H 5.736 9.117 6.346 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . c30342_6aza 1 . 4 . 1047 . 1 1 18 NH2 HN2 H 5.192 10.452 7.263 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . c30342_6aza 1 . 4 . 1048 . 1 1 18 NH2 N N 5.220 9.950 6.398 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . c30342_6aza 1 . 5 . 1049 . 1 1 1 ARG C C 2.600 3.010 0.569 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30342_6aza 1 . 5 . 1050 . 1 1 1 ARG CA C 2.798 1.895 1.591 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30342_6aza 1 . 5 . 1051 . 1 1 1 ARG CB C 3.952 2.250 2.532 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30342_6aza 1 . 5 . 1052 . 1 1 1 ARG CD C 5.034 1.945 4.780 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30342_6aza 1 . 5 . 1053 . 1 1 1 ARG CG C 3.899 1.519 3.864 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30342_6aza 1 . 5 . 1054 . 1 1 1 ARG CZ C 5.908 1.299 6.984 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30342_6aza 1 . 5 . 1055 . 1 1 1 ARG H1 H 3.903 0.501 0.444 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30342_6aza 1 . 5 . 1056 . 1 1 1 ARG HA H 1.894 1.787 2.170 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30342_6aza 1 . 5 . 1057 . 1 1 1 ARG HB2 H 4.885 2.005 2.048 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30342_6aza 1 . 5 . 1058 . 1 1 1 ARG HB3 H 3.925 3.310 2.728 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30342_6aza 1 . 5 . 1059 . 1 1 1 ARG HD2 H 5.970 1.622 4.347 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30342_6aza 1 . 5 . 1060 . 1 1 1 ARG HD3 H 5.028 3.022 4.859 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30342_6aza 1 . 5 . 1061 . 1 1 1 ARG HE H 4.029 1.021 6.377 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30342_6aza 1 . 5 . 1062 . 1 1 1 ARG HG2 H 2.959 1.737 4.347 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30342_6aza 1 . 5 . 1063 . 1 1 1 ARG HG3 H 3.974 0.456 3.682 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30342_6aza 1 . 5 . 1064 . 1 1 1 ARG HH11 H 7.257 2.170 5.757 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30342_6aza 1 . 5 . 1065 . 1 1 1 ARG HH12 H 7.860 1.709 7.315 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30342_6aza 1 . 5 . 1066 . 1 1 1 ARG HH21 H 4.810 0.409 8.431 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30342_6aza 1 . 5 . 1067 . 1 1 1 ARG HH22 H 6.467 0.707 8.834 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30342_6aza 1 . 5 . 1068 . 1 1 1 ARG N N 3.060 0.623 0.929 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30342_6aza 1 . 5 . 1069 . 1 1 1 ARG NE N 4.906 1.371 6.116 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30342_6aza 1 . 5 . 1070 . 1 1 1 ARG NH1 N 7.107 1.764 6.659 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30342_6aza 1 . 5 . 1071 . 1 1 1 ARG NH2 N 5.712 0.761 8.182 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30342_6aza 1 . 5 . 1072 . 1 1 1 ARG O O 1.574 3.691 0.569 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30342_6aza 1 . 5 . 1073 . 1 1 2 CYS C C 3.784 3.634 -2.710 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c30342_6aza 1 . 5 . 1074 . 1 1 2 CYS CA C 3.524 4.225 -1.327 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c30342_6aza 1 . 5 . 1075 . 1 1 2 CYS CB C 4.540 5.330 -1.033 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c30342_6aza 1 . 5 . 1076 . 1 1 2 CYS H H 4.382 2.617 -0.249 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c30342_6aza 1 . 5 . 1077 . 1 1 2 CYS HA H 2.531 4.648 -1.311 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c30342_6aza 1 . 5 . 1078 . 1 1 2 CYS HB2 H 5.534 4.907 -1.044 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c30342_6aza 1 . 5 . 1079 . 1 1 2 CYS HB3 H 4.470 6.088 -1.799 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c30342_6aza 1 . 5 . 1080 . 1 1 2 CYS N N 3.588 3.192 -0.300 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c30342_6aza 1 . 5 . 1081 . 1 1 2 CYS O O 4.160 2.468 -2.838 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c30342_6aza 1 . 5 . 1082 . 1 1 2 CYS SG S 4.304 6.147 0.578 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c30342_6aza 1 . 5 . 1083 . 1 1 3 LYS C C 5.279 3.786 -5.391 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . c30342_6aza 1 . 5 . 1084 . 1 1 3 LYS CA C 3.796 4.006 -5.115 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . c30342_6aza 1 . 5 . 1085 . 1 1 3 LYS CB C 3.232 5.037 -6.096 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . c30342_6aza 1 . 5 . 1086 . 1 1 3 LYS CD C 1.276 5.493 -7.603 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . c30342_6aza 1 . 5 . 1087 . 1 1 3 LYS CE C 1.320 4.404 -8.663 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . c30342_6aza 1 . 5 . 1088 . 1 1 3 LYS CG C 1.723 4.970 -6.247 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . c30342_6aza 1 . 5 . 1089 . 1 1 3 LYS H H 3.283 5.365 -3.575 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . c30342_6aza 1 . 5 . 1090 . 1 1 3 LYS HA H 3.274 3.072 -5.249 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . c30342_6aza 1 . 5 . 1091 . 1 1 3 LYS HB2 H 3.495 6.027 -5.750 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . c30342_6aza 1 . 5 . 1092 . 1 1 3 LYS HB3 H 3.679 4.875 -7.066 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . c30342_6aza 1 . 5 . 1093 . 1 1 3 LYS HD2 H 0.262 5.859 -7.523 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . c30342_6aza 1 . 5 . 1094 . 1 1 3 LYS HD3 H 1.928 6.302 -7.901 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . c30342_6aza 1 . 5 . 1095 . 1 1 3 LYS HE2 H 1.502 4.861 -9.623 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . c30342_6aza 1 . 5 . 1096 . 1 1 3 LYS HE3 H 2.128 3.725 -8.429 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . c30342_6aza 1 . 5 . 1097 . 1 1 3 LYS HG2 H 1.405 3.943 -6.149 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . c30342_6aza 1 . 5 . 1098 . 1 1 3 LYS HG3 H 1.266 5.568 -5.473 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . c30342_6aza 1 . 5 . 1099 . 1 1 3 LYS HZ1 H 0.244 2.622 -8.840 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 5 . 1100 . 1 1 3 LYS HZ2 H -0.526 3.959 -9.532 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 5 . 1101 . 1 1 3 LYS HZ3 H -0.499 3.776 -7.849 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 5 . 1102 . 1 1 3 LYS N N 3.582 4.447 -3.741 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . c30342_6aza 1 . 5 . 1103 . 1 1 3 LYS NZ N 0.046 3.637 -8.725 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . c30342_6aza 1 . 5 . 1104 . 1 1 3 LYS O O 6.136 4.464 -4.822 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . c30342_6aza 1 . 5 . 1105 . 1 1 4 THR C C 7.701 3.768 -7.086 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30342_6aza 1 . 5 . 1106 . 1 1 4 THR CA C 6.958 2.521 -6.619 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30342_6aza 1 . 5 . 1107 . 1 1 4 THR CB C 7.029 1.451 -7.725 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30342_6aza 1 . 5 . 1108 . 1 1 4 THR CG2 C 8.426 0.854 -7.811 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30342_6aza 1 . 5 . 1109 . 1 1 4 THR H H 4.852 2.325 -6.687 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30342_6aza 1 . 5 . 1110 . 1 1 4 THR HA H 7.447 2.132 -5.738 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30342_6aza 1 . 5 . 1111 . 1 1 4 THR HB H 6.792 1.916 -8.671 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30342_6aza 1 . 5 . 1112 . 1 1 4 THR HG1 H 5.554 0.253 -8.252 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30342_6aza 1 . 5 . 1113 . 1 1 4 THR HG21 H 8.369 -0.138 -8.232 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30342_6aza 1 . 5 . 1114 . 1 1 4 THR HG22 H 8.858 0.802 -6.822 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30342_6aza 1 . 5 . 1115 . 1 1 4 THR HG23 H 9.044 1.478 -8.440 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30342_6aza 1 . 5 . 1116 . 1 1 4 THR N N 5.579 2.832 -6.268 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30342_6aza 1 . 5 . 1117 . 1 1 4 THR O O 7.090 4.721 -7.571 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30342_6aza 1 . 5 . 1118 . 1 1 4 THR OG1 O 6.078 0.412 -7.462 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30342_6aza 1 . 5 . 1119 . 1 1 5 CYS C C 10.646 4.549 -8.603 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30342_6aza 1 . 5 . 1120 . 1 1 5 CYS CA C 9.848 4.885 -7.346 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30342_6aza 1 . 5 . 1121 . 1 1 5 CYS CB C 10.799 5.281 -6.216 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30342_6aza 1 . 5 . 1122 . 1 1 5 CYS H H 9.452 2.966 -6.546 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30342_6aza 1 . 5 . 1123 . 1 1 5 CYS HA H 9.193 5.715 -7.562 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30342_6aza 1 . 5 . 1124 . 1 1 5 CYS HB2 H 11.419 6.100 -6.548 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30342_6aza 1 . 5 . 1125 . 1 1 5 CYS HB3 H 10.219 5.599 -5.362 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30342_6aza 1 . 5 . 1126 . 1 1 5 CYS N N 9.021 3.755 -6.939 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30342_6aza 1 . 5 . 1127 . 1 1 5 CYS O O 10.654 3.407 -9.059 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30342_6aza 1 . 5 . 1128 . 1 1 5 CYS SG S 11.904 3.940 -5.669 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30342_6aza 1 . 5 . 1129 . 1 1 6 SER C C 13.491 4.806 -10.023 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . c30342_6aza 1 . 5 . 1130 . 1 1 6 SER CA C 12.114 5.369 -10.364 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . c30342_6aza 1 . 5 . 1131 . 1 1 6 SER CB C 12.264 6.694 -11.112 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . c30342_6aza 1 . 5 . 1132 . 1 1 6 SER H H 11.271 6.444 -8.746 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . c30342_6aza 1 . 5 . 1133 . 1 1 6 SER HA H 11.597 4.663 -10.997 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . c30342_6aza 1 . 5 . 1134 . 1 1 6 SER HB2 H 13.143 6.654 -11.737 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . c30342_6aza 1 . 5 . 1135 . 1 1 6 SER HB3 H 11.391 6.859 -11.726 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . c30342_6aza 1 . 5 . 1136 . 1 1 6 SER HG H 11.529 8.144 -10.018 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . c30342_6aza 1 . 5 . 1137 . 1 1 6 SER N N 11.316 5.554 -9.157 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . c30342_6aza 1 . 5 . 1138 . 1 1 6 SER O O 13.895 4.783 -8.860 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . c30342_6aza 1 . 5 . 1139 . 1 1 6 SER OG O 12.396 7.778 -10.207 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . c30342_6aza 1 . 5 . 1140 . 1 1 7 LYS C C 16.544 4.878 -10.495 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30342_6aza 1 . 5 . 1141 . 1 1 7 LYS CA C 15.539 3.788 -10.857 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30342_6aza 1 . 5 . 1142 . 1 1 7 LYS CB C 15.993 3.063 -12.126 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30342_6aza 1 . 5 . 1143 . 1 1 7 LYS CD C 16.215 0.691 -11.332 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30342_6aza 1 . 5 . 1144 . 1 1 7 LYS CE C 16.126 -0.743 -11.833 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30342_6aza 1 . 5 . 1145 . 1 1 7 LYS CG C 15.458 1.646 -12.240 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30342_6aza 1 . 5 . 1146 . 1 1 7 LYS H H 13.831 4.396 -11.950 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30342_6aza 1 . 5 . 1147 . 1 1 7 LYS HA H 15.488 3.078 -10.045 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30342_6aza 1 . 5 . 1148 . 1 1 7 LYS HB2 H 15.656 3.623 -12.985 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30342_6aza 1 . 5 . 1149 . 1 1 7 LYS HB3 H 17.072 3.021 -12.135 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30342_6aza 1 . 5 . 1150 . 1 1 7 LYS HD2 H 17.254 0.984 -11.299 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30342_6aza 1 . 5 . 1151 . 1 1 7 LYS HD3 H 15.793 0.742 -10.338 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30342_6aza 1 . 5 . 1152 . 1 1 7 LYS HE2 H 15.119 -0.929 -12.173 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30342_6aza 1 . 5 . 1153 . 1 1 7 LYS HE3 H 16.813 -0.866 -12.657 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30342_6aza 1 . 5 . 1154 . 1 1 7 LYS HG2 H 14.416 1.640 -11.963 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30342_6aza 1 . 5 . 1155 . 1 1 7 LYS HG3 H 15.563 1.313 -13.263 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30342_6aza 1 . 5 . 1156 . 1 1 7 LYS HZ1 H 15.969 -1.483 -9.886 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 5 . 1157 . 1 1 7 LYS HZ2 H 17.490 -1.717 -10.587 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 5 . 1158 . 1 1 7 LYS HZ3 H 16.185 -2.682 -11.059 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 5 . 1159 . 1 1 7 LYS N N 14.206 4.351 -11.045 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30342_6aza 1 . 5 . 1160 . 1 1 7 LYS NZ N 16.466 -1.725 -10.767 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30342_6aza 1 . 5 . 1161 . 1 1 7 LYS O O 16.852 5.747 -11.308 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30342_6aza 1 . 5 . 1162 . 1 1 8 GLY C C 17.366 6.967 -8.086 . . . 1.0 . . . . . . . . . . . . A . 8 GLY C . . . . . . . . . c30342_6aza 1 . 5 . 1163 . 1 1 8 GLY CA C 18.017 5.810 -8.819 . . . 1.0 . . . . . . . . . . . . A . 8 GLY CA . . . . . . . . . c30342_6aza 1 . 5 . 1164 . 1 1 8 GLY H H 16.768 4.107 -8.660 . . . 1.0 . . . . . . . . . . . . A . 8 GLY H . . . . . . . . . c30342_6aza 1 . 5 . 1165 . 1 1 8 GLY HA2 H 18.724 5.331 -8.158 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA2 . . . . . . . . . c30342_6aza 1 . 5 . 1166 . 1 1 8 GLY HA3 H 18.545 6.196 -9.678 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA3 . . . . . . . . . c30342_6aza 1 . 5 . 1167 . 1 1 8 GLY N N 17.052 4.822 -9.267 . . . 1.0 . . . . . . . . . . . . A . 8 GLY N . . . . . . . . . c30342_6aza 1 . 5 . 1168 . 1 1 8 GLY O O 17.992 7.605 -7.240 . . . 1.0 . . . . . . . . . . . . A . 8 GLY O . . . . . . . . . c30342_6aza 1 . 5 . 1169 . 1 1 9 ARG C C 14.202 7.793 -6.963 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c30342_6aza 1 . 5 . 1170 . 1 1 9 ARG CA C 15.372 8.329 -7.783 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c30342_6aza 1 . 5 . 1171 . 1 1 9 ARG CB C 14.861 9.307 -8.843 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c30342_6aza 1 . 5 . 1172 . 1 1 9 ARG CD C 15.528 10.865 -10.699 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c30342_6aza 1 . 5 . 1173 . 1 1 9 ARG CG C 15.930 10.252 -9.366 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c30342_6aza 1 . 5 . 1174 . 1 1 9 ARG CZ C 16.796 12.970 -10.796 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c30342_6aza 1 . 5 . 1175 . 1 1 9 ARG H H 15.661 6.695 -9.097 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c30342_6aza 1 . 5 . 1176 . 1 1 9 ARG HA H 16.051 8.849 -7.124 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c30342_6aza 1 . 5 . 1177 . 1 1 9 ARG HB2 H 14.469 8.745 -9.677 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c30342_6aza 1 . 5 . 1178 . 1 1 9 ARG HB3 H 14.066 9.900 -8.414 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c30342_6aza 1 . 5 . 1179 . 1 1 9 ARG HD2 H 15.338 10.069 -11.403 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c30342_6aza 1 . 5 . 1180 . 1 1 9 ARG HD3 H 14.626 11.443 -10.555 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c30342_6aza 1 . 5 . 1181 . 1 1 9 ARG HE H 17.126 11.385 -11.962 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c30342_6aza 1 . 5 . 1182 . 1 1 9 ARG HG2 H 16.081 11.044 -8.648 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c30342_6aza 1 . 5 . 1183 . 1 1 9 ARG HG3 H 16.851 9.702 -9.496 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c30342_6aza 1 . 5 . 1184 . 1 1 9 ARG HH11 H 15.331 12.922 -9.404 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c30342_6aza 1 . 5 . 1185 . 1 1 9 ARG HH12 H 16.233 14.400 -9.483 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c30342_6aza 1 . 5 . 1186 . 1 1 9 ARG HH21 H 18.320 13.326 -12.074 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c30342_6aza 1 . 5 . 1187 . 1 1 9 ARG HH22 H 17.932 14.628 -11.003 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c30342_6aza 1 . 5 . 1188 . 1 1 9 ARG N N 16.107 7.239 -8.414 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c30342_6aza 1 . 5 . 1189 . 1 1 9 ARG NE N 16.569 11.737 -11.236 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c30342_6aza 1 . 5 . 1190 . 1 1 9 ARG NH1 N 16.059 13.473 -9.813 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c30342_6aza 1 . 5 . 1191 . 1 1 9 ARG NH2 N 17.763 13.702 -11.334 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c30342_6aza 1 . 5 . 1192 . 1 1 9 ARG O O 13.242 7.252 -7.512 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c30342_6aza 1 . 5 . 1193 . 1 1 10 CYS C C 13.049 8.446 -3.584 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30342_6aza 1 . 5 . 1194 . 1 1 10 CYS CA C 13.240 7.480 -4.750 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30342_6aza 1 . 5 . 1195 . 1 1 10 CYS CB C 13.577 6.084 -4.220 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30342_6aza 1 . 5 . 1196 . 1 1 10 CYS H H 15.079 8.388 -5.268 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30342_6aza 1 . 5 . 1197 . 1 1 10 CYS HA H 12.320 7.429 -5.313 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30342_6aza 1 . 5 . 1198 . 1 1 10 CYS HB2 H 14.526 6.122 -3.707 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30342_6aza 1 . 5 . 1199 . 1 1 10 CYS HB3 H 12.810 5.777 -3.526 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30342_6aza 1 . 5 . 1200 . 1 1 10 CYS N N 14.289 7.948 -5.647 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30342_6aza 1 . 5 . 1201 . 1 1 10 CYS O O 13.964 8.665 -2.792 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30342_6aza 1 . 5 . 1202 . 1 1 10 CYS SG S 13.700 4.808 -5.514 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30342_6aza 1 . 5 . 1203 . 1 1 11 ARG C C 10.086 9.830 -1.984 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . c30342_6aza 1 . 5 . 1204 . 1 1 11 ARG CA C 11.542 9.961 -2.420 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . c30342_6aza 1 . 5 . 1205 . 1 1 11 ARG CB C 11.820 11.395 -2.879 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . c30342_6aza 1 . 5 . 1206 . 1 1 11 ARG CD C 13.553 13.154 -3.348 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . c30342_6aza 1 . 5 . 1207 . 1 1 11 ARG CG C 13.250 11.846 -2.632 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . c30342_6aza 1 . 5 . 1208 . 1 1 11 ARG CZ C 13.949 13.887 -5.660 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . c30342_6aza 1 . 5 . 1209 . 1 1 11 ARG H H 11.164 8.803 -4.150 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . c30342_6aza 1 . 5 . 1210 . 1 1 11 ARG HA H 12.180 9.733 -1.578 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . c30342_6aza 1 . 5 . 1211 . 1 1 11 ARG HB2 H 11.621 11.465 -3.938 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . c30342_6aza 1 . 5 . 1212 . 1 1 11 ARG HB3 H 11.157 12.063 -2.350 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . c30342_6aza 1 . 5 . 1213 . 1 1 11 ARG HD2 H 12.665 13.768 -3.338 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . c30342_6aza 1 . 5 . 1214 . 1 1 11 ARG HD3 H 14.346 13.661 -2.822 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . c30342_6aza 1 . 5 . 1215 . 1 1 11 ARG HE H 14.265 12.038 -4.981 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . c30342_6aza 1 . 5 . 1216 . 1 1 11 ARG HG2 H 13.395 11.989 -1.570 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . c30342_6aza 1 . 5 . 1217 . 1 1 11 ARG HG3 H 13.926 11.084 -2.991 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . c30342_6aza 1 . 5 . 1218 . 1 1 11 ARG HH11 H 13.254 15.323 -4.421 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . c30342_6aza 1 . 5 . 1219 . 1 1 11 ARG HH12 H 13.539 15.827 -6.054 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . c30342_6aza 1 . 5 . 1220 . 1 1 11 ARG HH21 H 14.642 12.689 -7.135 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . c30342_6aza 1 . 5 . 1221 . 1 1 11 ARG HH22 H 14.327 14.328 -7.596 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . c30342_6aza 1 . 5 . 1222 . 1 1 11 ARG N N 11.853 9.019 -3.487 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . c30342_6aza 1 . 5 . 1223 . 1 1 11 ARG NE N 13.964 12.936 -4.733 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . c30342_6aza 1 . 5 . 1224 . 1 1 11 ARG NH1 N 13.548 15.113 -5.353 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . c30342_6aza 1 . 5 . 1225 . 1 1 11 ARG NH2 N 14.339 13.613 -6.898 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . c30342_6aza 1 . 5 . 1226 . 1 1 11 ARG O O 9.243 9.293 -2.706 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . c30342_6aza 1 . 5 . 1227 . 1 1 12 PRO C C 7.462 11.202 -0.953 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . c30342_6aza 1 . 5 . 1228 . 1 1 12 PRO CA C 8.427 10.276 -0.218 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . c30342_6aza 1 . 5 . 1229 . 1 1 12 PRO CB C 8.621 10.745 1.226 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . c30342_6aza 1 . 5 . 1230 . 1 1 12 PRO CD C 10.735 10.980 0.135 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . c30342_6aza 1 . 5 . 1231 . 1 1 12 PRO CG C 9.850 11.585 1.189 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . c30342_6aza 1 . 5 . 1232 . 1 1 12 PRO HA H 8.033 9.270 -0.223 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . c30342_6aza 1 . 5 . 1233 . 1 1 12 PRO HB2 H 7.759 11.316 1.541 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . c30342_6aza 1 . 5 . 1234 . 1 1 12 PRO HB3 H 8.747 9.888 1.871 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . c30342_6aza 1 . 5 . 1235 . 1 1 12 PRO HD2 H 11.294 11.751 -0.377 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . c30342_6aza 1 . 5 . 1236 . 1 1 12 PRO HD3 H 11.405 10.255 0.575 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . c30342_6aza 1 . 5 . 1237 . 1 1 12 PRO HG2 H 9.594 12.600 0.927 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . c30342_6aza 1 . 5 . 1238 . 1 1 12 PRO HG3 H 10.342 11.558 2.151 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . c30342_6aza 1 . 5 . 1239 . 1 1 12 PRO N N 9.781 10.327 -0.777 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . c30342_6aza 1 . 5 . 1240 . 1 1 12 PRO O O 7.832 12.301 -1.367 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . c30342_6aza 1 . 5 . 1241 . 1 1 13 LYS C C 4.573 12.553 -0.844 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c30342_6aza 1 . 5 . 1242 . 1 1 13 LYS CA C 5.202 11.538 -1.794 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c30342_6aza 1 . 5 . 1243 . 1 1 13 LYS CB C 4.120 10.621 -2.367 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c30342_6aza 1 . 5 . 1244 . 1 1 13 LYS CD C 3.328 9.209 -4.288 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c30342_6aza 1 . 5 . 1245 . 1 1 13 LYS CE C 2.204 9.976 -4.965 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c30342_6aza 1 . 5 . 1246 . 1 1 13 LYS CG C 4.413 10.144 -3.779 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c30342_6aza 1 . 5 . 1247 . 1 1 13 LYS H H 5.986 9.867 -0.757 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c30342_6aza 1 . 5 . 1248 . 1 1 13 LYS HA H 5.679 12.068 -2.603 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c30342_6aza 1 . 5 . 1249 . 1 1 13 LYS HB2 H 4.024 9.754 -1.729 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c30342_6aza 1 . 5 . 1250 . 1 1 13 LYS HB3 H 3.181 11.155 -2.377 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c30342_6aza 1 . 5 . 1251 . 1 1 13 LYS HD2 H 3.762 8.523 -5.000 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c30342_6aza 1 . 5 . 1252 . 1 1 13 LYS HD3 H 2.923 8.654 -3.453 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c30342_6aza 1 . 5 . 1253 . 1 1 13 LYS HE2 H 1.288 9.416 -4.858 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c30342_6aza 1 . 5 . 1254 . 1 1 13 LYS HE3 H 2.097 10.935 -4.480 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c30342_6aza 1 . 5 . 1255 . 1 1 13 LYS HG2 H 4.471 11.000 -4.434 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c30342_6aza 1 . 5 . 1256 . 1 1 13 LYS HG3 H 5.358 9.621 -3.783 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c30342_6aza 1 . 5 . 1257 . 1 1 13 LYS HZ1 H 1.633 9.945 -6.976 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 5 . 1258 . 1 1 13 LYS HZ2 H 3.269 9.597 -6.721 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 5 . 1259 . 1 1 13 LYS HZ3 H 2.714 11.188 -6.588 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 5 . 1260 . 1 1 13 LYS N N 6.222 10.751 -1.110 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c30342_6aza 1 . 5 . 1261 . 1 1 13 LYS NZ N 2.474 10.191 -6.415 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c30342_6aza 1 . 5 . 1262 . 1 1 13 LYS O O 4.605 12.400 0.378 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c30342_6aza 1 . 5 . 1263 . 1 1 14 PRO C C 2.048 14.198 0.028 . . . 1.0 . . . . . . . . . . . . A . 14 PRO C . . . . . . . . . c30342_6aza 1 . 5 . 1264 . 1 1 14 PRO CA C 3.334 14.674 -0.639 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CA . . . . . . . . . c30342_6aza 1 . 5 . 1265 . 1 1 14 PRO CB C 3.028 15.745 -1.687 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CB . . . . . . . . . c30342_6aza 1 . 5 . 1266 . 1 1 14 PRO CD C 3.909 13.861 -2.866 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CD . . . . . . . . . c30342_6aza 1 . 5 . 1267 . 1 1 14 PRO CG C 2.934 15.000 -2.975 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CG . . . . . . . . . c30342_6aza 1 . 5 . 1268 . 1 1 14 PRO HA H 3.998 15.080 0.111 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HA . . . . . . . . . c30342_6aza 1 . 5 . 1269 . 1 1 14 PRO HB2 H 2.095 16.235 -1.444 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB2 . . . . . . . . . c30342_6aza 1 . 5 . 1270 . 1 1 14 PRO HB3 H 3.827 16.472 -1.710 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB3 . . . . . . . . . c30342_6aza 1 . 5 . 1271 . 1 1 14 PRO HD2 H 3.534 12.992 -3.387 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD2 . . . . . . . . . c30342_6aza 1 . 5 . 1272 . 1 1 14 PRO HD3 H 4.873 14.151 -3.257 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD3 . . . . . . . . . c30342_6aza 1 . 5 . 1273 . 1 1 14 PRO HG2 H 1.931 14.625 -3.108 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG2 . . . . . . . . . c30342_6aza 1 . 5 . 1274 . 1 1 14 PRO HG3 H 3.205 15.649 -3.794 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG3 . . . . . . . . . c30342_6aza 1 . 5 . 1275 . 1 1 14 PRO N N 3.985 13.614 -1.415 . . . 1.0 . . . . . . . . . . . . A . 14 PRO N . . . . . . . . . c30342_6aza 1 . 5 . 1276 . 1 1 14 PRO O O 1.713 14.631 1.129 . . . 1.0 . . . . . . . . . . . . A . 14 PRO O . . . . . . . . . c30342_6aza 1 . 5 . 1277 . 1 1 15 ASN C C 0.333 11.501 0.691 . . . 1.0 . . . . . . . . . . . . A . 15 ASN C . . . . . . . . . c30342_6aza 1 . 5 . 1278 . 1 1 15 ASN CA C 0.083 12.769 -0.119 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CA . . . . . . . . . c30342_6aza 1 . 5 . 1279 . 1 1 15 ASN CB C -0.892 12.474 -1.261 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CB . . . . . . . . . c30342_6aza 1 . 5 . 1280 . 1 1 15 ASN CG C -1.427 13.737 -1.906 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CG . . . . . . . . . c30342_6aza 1 . 5 . 1281 . 1 1 15 ASN H H 1.652 12.996 -1.521 . . . 1.0 . . . . . . . . . . . . A . 15 ASN H . . . . . . . . . c30342_6aza 1 . 5 . 1282 . 1 1 15 ASN HA H -0.350 13.517 0.528 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HA . . . . . . . . . c30342_6aza 1 . 5 . 1283 . 1 1 15 ASN HB2 H -0.385 11.894 -2.019 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB2 . . . . . . . . . c30342_6aza 1 . 5 . 1284 . 1 1 15 ASN HB3 H -1.726 11.906 -0.877 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB3 . . . . . . . . . c30342_6aza 1 . 5 . 1285 . 1 1 15 ASN HD21 H -0.529 13.274 -3.618 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD21 . . . . . . . . . c30342_6aza 1 . 5 . 1286 . 1 1 15 ASN HD22 H -1.426 14.750 -3.616 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD22 . . . . . . . . . c30342_6aza 1 . 5 . 1287 . 1 1 15 ASN N N 1.334 13.304 -0.647 . . . 1.0 . . . . . . . . . . . . A . 15 ASN N . . . . . . . . . c30342_6aza 1 . 5 . 1288 . 1 1 15 ASN ND2 N -1.094 13.941 -3.174 . . . 1.0 . . . . . . . . . . . . A . 15 ASN ND2 . . . . . . . . . c30342_6aza 1 . 5 . 1289 . 1 1 15 ASN O O -0.416 11.183 1.615 . . . 1.0 . . . . . . . . . . . . A . 15 ASN O . . . . . . . . . c30342_6aza 1 . 5 . 1290 . 1 1 15 ASN OD1 O -2.132 14.522 -1.269 . . . 1.0 . . . . . . . . . . . . A . 15 ASN OD1 . . . . . . . . . c30342_6aza 1 . 5 . 1291 . 1 1 16 CYS C C 2.569 9.841 2.282 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c30342_6aza 1 . 5 . 1292 . 1 1 16 CYS CA C 1.743 9.546 1.033 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c30342_6aza 1 . 5 . 1293 . 1 1 16 CYS CB C 2.522 8.616 0.101 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c30342_6aza 1 . 5 . 1294 . 1 1 16 CYS H H 1.952 11.084 -0.406 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c30342_6aza 1 . 5 . 1295 . 1 1 16 CYS HA H 0.827 9.059 1.329 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c30342_6aza 1 . 5 . 1296 . 1 1 16 CYS HB2 H 2.177 8.762 -0.912 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c30342_6aza 1 . 5 . 1297 . 1 1 16 CYS HB3 H 3.573 8.863 0.155 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c30342_6aza 1 . 5 . 1298 . 1 1 16 CYS N N 1.392 10.779 0.339 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c30342_6aza 1 . 5 . 1299 . 1 1 16 CYS O O 2.140 9.561 3.401 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c30342_6aza 1 . 5 . 1300 . 1 1 16 CYS SG S 2.346 6.847 0.498 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c30342_6aza 1 . 5 . 1301 . 1 1 17 GLY C C 4.776 12.225 3.401 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c30342_6aza 1 . 5 . 1302 . 1 1 17 GLY CA C 4.620 10.729 3.200 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c30342_6aza 1 . 5 . 1303 . 1 1 17 GLY H H 4.044 10.606 1.166 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c30342_6aza 1 . 5 . 1304 . 1 1 17 GLY HA2 H 4.206 10.298 4.100 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c30342_6aza 1 . 5 . 1305 . 1 1 17 GLY HA3 H 5.595 10.299 3.023 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c30342_6aza 1 . 5 . 1306 . 1 1 17 GLY N N 3.755 10.407 2.082 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c30342_6aza 1 . 5 . 1307 . 1 1 17 GLY O O 5.886 12.753 3.338 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c30342_6aza 1 . 5 . 1308 . 1 1 18 NH2 HN1 H 2.807 12.429 3.679 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . c30342_6aza 1 . 5 . 1309 . 1 1 18 NH2 HN2 H 3.674 13.896 3.784 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . c30342_6aza 1 . 5 . 1310 . 1 1 18 NH2 N N 3.661 12.906 3.641 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . c30342_6aza 1 . 6 . 1311 . 1 1 1 ARG C C 2.903 1.431 -0.206 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30342_6aza 1 . 6 . 1312 . 1 1 1 ARG CA C 3.258 0.443 0.900 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30342_6aza 1 . 6 . 1313 . 1 1 1 ARG CB C 2.241 -0.700 0.922 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30342_6aza 1 . 6 . 1314 . 1 1 1 ARG CD C 3.821 -2.502 1.682 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30342_6aza 1 . 6 . 1315 . 1 1 1 ARG CG C 2.530 -1.752 1.981 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30342_6aza 1 . 6 . 1316 . 1 1 1 ARG CZ C 4.989 -4.494 2.524 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30342_6aza 1 . 6 . 1317 . 1 1 1 ARG H1 H 3.839 0.716 2.917 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30342_6aza 1 . 6 . 1318 . 1 1 1 ARG HA H 4.238 0.036 0.703 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30342_6aza 1 . 6 . 1319 . 1 1 1 ARG HB2 H 1.260 -0.290 1.114 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30342_6aza 1 . 6 . 1320 . 1 1 1 ARG HB3 H 2.239 -1.183 -0.044 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30342_6aza 1 . 6 . 1321 . 1 1 1 ARG HD2 H 3.889 -2.665 0.616 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30342_6aza 1 . 6 . 1322 . 1 1 1 ARG HD3 H 4.654 -1.899 2.008 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30342_6aza 1 . 6 . 1323 . 1 1 1 ARG HE H 3.032 -4.156 2.716 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30342_6aza 1 . 6 . 1324 . 1 1 1 ARG HG2 H 2.623 -1.268 2.942 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30342_6aza 1 . 6 . 1325 . 1 1 1 ARG HG3 H 1.712 -2.456 2.007 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30342_6aza 1 . 6 . 1326 . 1 1 1 ARG HH11 H 6.167 -3.151 1.583 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30342_6aza 1 . 6 . 1327 . 1 1 1 ARG HH12 H 6.981 -4.560 2.182 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30342_6aza 1 . 6 . 1328 . 1 1 1 ARG HH21 H 4.090 -6.014 3.507 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30342_6aza 1 . 6 . 1329 . 1 1 1 ARG HH22 H 5.796 -6.188 3.275 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30342_6aza 1 . 6 . 1330 . 1 1 1 ARG N N 3.300 1.106 2.197 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30342_6aza 1 . 6 . 1331 . 1 1 1 ARG NE N 3.873 -3.793 2.362 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30342_6aza 1 . 6 . 1332 . 1 1 1 ARG NH1 N 6.140 -4.029 2.057 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30342_6aza 1 . 6 . 1333 . 1 1 1 ARG NH2 N 4.956 -5.662 3.154 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30342_6aza 1 . 6 . 1334 . 1 1 1 ARG O O 1.991 1.192 -0.999 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30342_6aza 1 . 6 . 1335 . 1 1 2 CYS C C 3.825 3.089 -2.641 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c30342_6aza 1 . 6 . 1336 . 1 1 2 CYS CA C 3.391 3.572 -1.260 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c30342_6aza 1 . 6 . 1337 . 1 1 2 CYS CB C 4.138 4.855 -0.897 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c30342_6aza 1 . 6 . 1338 . 1 1 2 CYS H H 4.341 2.679 0.407 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c30342_6aza 1 . 6 . 1339 . 1 1 2 CYS HA H 2.331 3.776 -1.281 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c30342_6aza 1 . 6 . 1340 . 1 1 2 CYS HB2 H 4.223 4.921 0.179 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c30342_6aza 1 . 6 . 1341 . 1 1 2 CYS HB3 H 5.128 4.820 -1.328 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c30342_6aza 1 . 6 . 1342 . 1 1 2 CYS N N 3.628 2.544 -0.252 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c30342_6aza 1 . 6 . 1343 . 1 1 2 CYS O O 4.540 2.095 -2.768 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c30342_6aza 1 . 6 . 1344 . 1 1 2 CYS SG S 3.330 6.379 -1.482 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c30342_6aza 1 . 6 . 1345 . 1 1 3 LYS C C 5.242 3.298 -5.206 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . c30342_6aza 1 . 6 . 1346 . 1 1 3 LYS CA C 3.733 3.451 -5.046 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . c30342_6aza 1 . 6 . 1347 . 1 1 3 LYS CB C 3.211 4.514 -6.014 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . c30342_6aza 1 . 6 . 1348 . 1 1 3 LYS CD C 1.928 4.901 -8.139 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . c30342_6aza 1 . 6 . 1349 . 1 1 3 LYS CE C 2.604 6.223 -8.470 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . c30342_6aza 1 . 6 . 1350 . 1 1 3 LYS CG C 2.866 3.969 -7.390 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . c30342_6aza 1 . 6 . 1351 . 1 1 3 LYS H H 2.822 4.586 -3.509 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . c30342_6aza 1 . 6 . 1352 . 1 1 3 LYS HA H 3.262 2.505 -5.275 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . c30342_6aza 1 . 6 . 1353 . 1 1 3 LYS HB2 H 2.322 4.962 -5.594 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . c30342_6aza 1 . 6 . 1354 . 1 1 3 LYS HB3 H 3.966 5.278 -6.131 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . c30342_6aza 1 . 6 . 1355 . 1 1 3 LYS HD2 H 1.623 4.425 -9.059 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . c30342_6aza 1 . 6 . 1356 . 1 1 3 LYS HD3 H 1.061 5.093 -7.526 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . c30342_6aza 1 . 6 . 1357 . 1 1 3 LYS HE2 H 1.897 6.853 -8.987 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . c30342_6aza 1 . 6 . 1358 . 1 1 3 LYS HE3 H 2.903 6.700 -7.549 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . c30342_6aza 1 . 6 . 1359 . 1 1 3 LYS HG2 H 3.777 3.856 -7.960 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . c30342_6aza 1 . 6 . 1360 . 1 1 3 LYS HG3 H 2.389 3.006 -7.277 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . c30342_6aza 1 . 6 . 1361 . 1 1 3 LYS HZ1 H 4.633 5.807 -8.743 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 6 . 1362 . 1 1 3 LYS HZ2 H 4.001 6.904 -9.866 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 6 . 1363 . 1 1 3 LYS HZ3 H 3.645 5.255 -10.001 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 6 . 1364 . 1 1 3 LYS N N 3.389 3.802 -3.675 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . c30342_6aza 1 . 6 . 1365 . 1 1 3 LYS NZ N 3.804 6.033 -9.330 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . c30342_6aza 1 . 6 . 1366 . 1 1 3 LYS O O 6.019 3.829 -4.412 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . c30342_6aza 1 . 6 . 1367 . 1 1 4 THR C C 7.748 3.633 -6.971 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30342_6aza 1 . 6 . 1368 . 1 1 4 THR CA C 7.069 2.349 -6.507 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30342_6aza 1 . 6 . 1369 . 1 1 4 THR CB C 7.277 1.256 -7.571 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30342_6aza 1 . 6 . 1370 . 1 1 4 THR CG2 C 8.615 0.558 -7.377 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30342_6aza 1 . 6 . 1371 . 1 1 4 THR H H 4.986 2.173 -6.840 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30342_6aza 1 . 6 . 1372 . 1 1 4 THR HA H 7.532 2.021 -5.588 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30342_6aza 1 . 6 . 1373 . 1 1 4 THR HB H 7.268 1.719 -8.548 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30342_6aza 1 . 6 . 1374 . 1 1 4 THR HG1 H 6.268 -0.292 -8.259 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30342_6aza 1 . 6 . 1375 . 1 1 4 THR HG21 H 9.082 0.922 -6.473 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30342_6aza 1 . 6 . 1376 . 1 1 4 THR HG22 H 9.255 0.764 -8.222 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30342_6aza 1 . 6 . 1377 . 1 1 4 THR HG23 H 8.457 -0.506 -7.295 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30342_6aza 1 . 6 . 1378 . 1 1 4 THR N N 5.654 2.570 -6.242 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30342_6aza 1 . 6 . 1379 . 1 1 4 THR O O 7.096 4.540 -7.488 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30342_6aza 1 . 6 . 1380 . 1 1 4 THR OG1 O 6.217 0.295 -7.501 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30342_6aza 1 . 6 . 1381 . 1 1 5 CYS C C 10.567 4.617 -8.499 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30342_6aza 1 . 6 . 1382 . 1 1 5 CYS CA C 9.830 4.873 -7.187 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30342_6aza 1 . 6 . 1383 . 1 1 5 CYS CB C 10.832 5.250 -6.093 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30342_6aza 1 . 6 . 1384 . 1 1 5 CYS H H 9.527 2.945 -6.368 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30342_6aza 1 . 6 . 1385 . 1 1 5 CYS HA H 9.140 5.689 -7.329 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30342_6aza 1 . 6 . 1386 . 1 1 5 CYS HB2 H 11.411 6.101 -6.423 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30342_6aza 1 . 6 . 1387 . 1 1 5 CYS HB3 H 10.291 5.516 -5.196 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30342_6aza 1 . 6 . 1388 . 1 1 5 CYS N N 9.061 3.701 -6.786 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30342_6aza 1 . 6 . 1389 . 1 1 5 CYS O O 10.551 3.505 -9.026 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30342_6aza 1 . 6 . 1390 . 1 1 5 CYS SG S 12.001 3.921 -5.662 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30342_6aza 1 . 6 . 1391 . 1 1 6 SER C C 13.339 4.962 -10.035 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . c30342_6aza 1 . 6 . 1392 . 1 1 6 SER CA C 11.950 5.546 -10.273 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . c30342_6aza 1 . 6 . 1393 . 1 1 6 SER CB C 12.069 6.917 -10.943 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . c30342_6aza 1 . 6 . 1394 . 1 1 6 SER H H 11.186 6.518 -8.554 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . c30342_6aza 1 . 6 . 1395 . 1 1 6 SER HA H 11.401 4.884 -10.926 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . c30342_6aza 1 . 6 . 1396 . 1 1 6 SER HB2 H 11.147 7.462 -10.806 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . c30342_6aza 1 . 6 . 1397 . 1 1 6 SER HB3 H 12.882 7.466 -10.489 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . c30342_6aza 1 . 6 . 1398 . 1 1 6 SER HG H 11.540 7.043 -12.824 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . c30342_6aza 1 . 6 . 1399 . 1 1 6 SER N N 11.211 5.657 -9.021 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . c30342_6aza 1 . 6 . 1400 . 1 1 6 SER O O 13.779 4.819 -8.893 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . c30342_6aza 1 . 6 . 1401 . 1 1 6 SER OG O 12.322 6.786 -12.331 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . c30342_6aza 1 . 6 . 1402 . 1 1 7 LYS C C 16.386 5.124 -10.650 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30342_6aza 1 . 6 . 1403 . 1 1 7 LYS CA C 15.367 4.056 -11.033 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30342_6aza 1 . 6 . 1404 . 1 1 7 LYS CB C 15.760 3.415 -12.365 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30342_6aza 1 . 6 . 1405 . 1 1 7 LYS CD C 14.330 1.373 -12.054 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30342_6aza 1 . 6 . 1406 . 1 1 7 LYS CE C 15.492 0.396 -11.944 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30342_6aza 1 . 6 . 1407 . 1 1 7 LYS CG C 14.671 2.541 -12.964 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30342_6aza 1 . 6 . 1408 . 1 1 7 LYS H H 13.623 4.761 -12.004 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30342_6aza 1 . 6 . 1409 . 1 1 7 LYS HA H 15.355 3.296 -10.267 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30342_6aza 1 . 6 . 1410 . 1 1 7 LYS HB2 H 15.994 4.197 -13.072 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30342_6aza 1 . 6 . 1411 . 1 1 7 LYS HB3 H 16.639 2.805 -12.212 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30342_6aza 1 . 6 . 1412 . 1 1 7 LYS HD2 H 14.096 1.750 -11.070 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30342_6aza 1 . 6 . 1413 . 1 1 7 LYS HD3 H 13.471 0.853 -12.456 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30342_6aza 1 . 6 . 1414 . 1 1 7 LYS HE2 H 16.324 0.898 -11.474 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30342_6aza 1 . 6 . 1415 . 1 1 7 LYS HE3 H 15.185 -0.440 -11.331 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30342_6aza 1 . 6 . 1416 . 1 1 7 LYS HG2 H 13.783 3.138 -13.113 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30342_6aza 1 . 6 . 1417 . 1 1 7 LYS HG3 H 15.013 2.158 -13.916 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30342_6aza 1 . 6 . 1418 . 1 1 7 LYS HZ1 H 15.101 -0.169 -13.916 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 6 . 1419 . 1 1 7 LYS HZ2 H 16.337 -1.058 -13.181 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 6 . 1420 . 1 1 7 LYS HZ3 H 16.626 0.528 -13.692 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 6 . 1421 . 1 1 7 LYS N N 14.027 4.625 -11.121 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30342_6aza 1 . 6 . 1422 . 1 1 7 LYS NZ N 15.919 -0.111 -13.277 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30342_6aza 1 . 6 . 1423 . 1 1 7 LYS O O 16.662 6.039 -11.426 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30342_6aza 1 . 6 . 1424 . 1 1 8 GLY C C 17.309 7.077 -8.168 . . . 1.0 . . . . . . . . . . . . A . 8 GLY C . . . . . . . . . c30342_6aza 1 . 6 . 1425 . 1 1 8 GLY CA C 17.928 5.962 -8.986 . . . 1.0 . . . . . . . . . . . . A . 8 GLY CA . . . . . . . . . c30342_6aza 1 . 6 . 1426 . 1 1 8 GLY H H 16.685 4.251 -8.873 . . . 1.0 . . . . . . . . . . . . A . 8 GLY H . . . . . . . . . c30342_6aza 1 . 6 . 1427 . 1 1 8 GLY HA2 H 18.659 5.448 -8.380 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA2 . . . . . . . . . c30342_6aza 1 . 6 . 1428 . 1 1 8 GLY HA3 H 18.424 6.392 -9.843 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA3 . . . . . . . . . c30342_6aza 1 . 6 . 1429 . 1 1 8 GLY N N 16.944 5.000 -9.449 . . . 1.0 . . . . . . . . . . . . A . 8 GLY N . . . . . . . . . c30342_6aza 1 . 6 . 1430 . 1 1 8 GLY O O 17.968 7.669 -7.314 . . . 1.0 . . . . . . . . . . . . A . 8 GLY O . . . . . . . . . c30342_6aza 1 . 6 . 1431 . 1 1 9 ARG C C 14.194 7.841 -6.879 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c30342_6aza 1 . 6 . 1432 . 1 1 9 ARG CA C 15.330 8.422 -7.715 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c30342_6aza 1 . 6 . 1433 . 1 1 9 ARG CB C 14.779 9.454 -8.699 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c30342_6aza 1 . 6 . 1434 . 1 1 9 ARG CD C 15.386 11.113 -10.487 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c30342_6aza 1 . 6 . 1435 . 1 1 9 ARG CG C 15.823 10.442 -9.194 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c30342_6aza 1 . 6 . 1436 . 1 1 9 ARG CZ C 17.232 10.598 -12.026 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c30342_6aza 1 . 6 . 1437 . 1 1 9 ARG H H 15.566 6.860 -9.125 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c30342_6aza 1 . 6 . 1438 . 1 1 9 ARG HA H 16.036 8.906 -7.056 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c30342_6aza 1 . 6 . 1439 . 1 1 9 ARG HB2 H 14.371 8.938 -9.555 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c30342_6aza 1 . 6 . 1440 . 1 1 9 ARG HB3 H 13.991 10.010 -8.214 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c30342_6aza 1 . 6 . 1441 . 1 1 9 ARG HD2 H 14.750 10.433 -11.034 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c30342_6aza 1 . 6 . 1442 . 1 1 9 ARG HD3 H 14.829 12.006 -10.243 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c30342_6aza 1 . 6 . 1443 . 1 1 9 ARG HE H 16.770 12.423 -11.372 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c30342_6aza 1 . 6 . 1444 . 1 1 9 ARG HG2 H 15.973 11.201 -8.441 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c30342_6aza 1 . 6 . 1445 . 1 1 9 ARG HG3 H 16.749 9.916 -9.368 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c30342_6aza 1 . 6 . 1446 . 1 1 9 ARG HH11 H 16.151 8.998 -11.429 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c30342_6aza 1 . 6 . 1447 . 1 1 9 ARG HH12 H 17.454 8.649 -12.514 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c30342_6aza 1 . 6 . 1448 . 1 1 9 ARG HH21 H 18.491 11.976 -12.801 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c30342_6aza 1 . 6 . 1449 . 1 1 9 ARG HH22 H 18.786 10.342 -13.293 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c30342_6aza 1 . 6 . 1450 . 1 1 9 ARG N N 16.039 7.368 -8.431 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c30342_6aza 1 . 6 . 1451 . 1 1 9 ARG NE N 16.523 11.477 -11.327 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c30342_6aza 1 . 6 . 1452 . 1 1 9 ARG NH1 N 16.920 9.309 -11.986 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c30342_6aza 1 . 6 . 1453 . 1 1 9 ARG NH2 N 18.253 11.005 -12.768 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c30342_6aza 1 . 6 . 1454 . 1 1 9 ARG O O 13.213 7.329 -7.417 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c30342_6aza 1 . 6 . 1455 . 1 1 10 CYS C C 13.129 8.348 -3.460 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30342_6aza 1 . 6 . 1456 . 1 1 10 CYS CA C 13.320 7.410 -4.649 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30342_6aza 1 . 6 . 1457 . 1 1 10 CYS CB C 13.712 6.016 -4.154 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30342_6aza 1 . 6 . 1458 . 1 1 10 CYS H H 15.140 8.347 -5.190 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30342_6aza 1 . 6 . 1459 . 1 1 10 CYS HA H 12.391 7.341 -5.191 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30342_6aza 1 . 6 . 1460 . 1 1 10 CYS HB2 H 14.680 6.071 -3.676 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30342_6aza 1 . 6 . 1461 . 1 1 10 CYS HB3 H 12.980 5.678 -3.434 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30342_6aza 1 . 6 . 1462 . 1 1 10 CYS N N 14.334 7.926 -5.560 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30342_6aza 1 . 6 . 1463 . 1 1 10 CYS O O 14.053 8.574 -2.679 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30342_6aza 1 . 6 . 1464 . 1 1 10 CYS SG S 13.817 4.761 -5.470 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30342_6aza 1 . 6 . 1465 . 1 1 11 ARG C C 10.129 9.739 -1.882 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . c30342_6aza 1 . 6 . 1466 . 1 1 11 ARG CA C 11.611 9.806 -2.240 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . c30342_6aza 1 . 6 . 1467 . 1 1 11 ARG CB C 11.989 11.238 -2.621 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . c30342_6aza 1 . 6 . 1468 . 1 1 11 ARG CD C 13.604 13.117 -2.201 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . c30342_6aza 1 . 6 . 1469 . 1 1 11 ARG CG C 13.416 11.610 -2.253 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . c30342_6aza 1 . 6 . 1470 . 1 1 11 ARG CZ C 13.235 14.970 -0.626 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . c30342_6aza 1 . 6 . 1471 . 1 1 11 ARG H H 11.227 8.674 -3.986 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . c30342_6aza 1 . 6 . 1472 . 1 1 11 ARG HA H 12.190 9.507 -1.379 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . c30342_6aza 1 . 6 . 1473 . 1 1 11 ARG HB2 H 11.874 11.356 -3.688 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . c30342_6aza 1 . 6 . 1474 . 1 1 11 ARG HB3 H 11.321 11.920 -2.117 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . c30342_6aza 1 . 6 . 1475 . 1 1 11 ARG HD2 H 14.640 13.345 -2.400 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . c30342_6aza 1 . 6 . 1476 . 1 1 11 ARG HD3 H 12.983 13.570 -2.959 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . c30342_6aza 1 . 6 . 1477 . 1 1 11 ARG HE H 12.988 13.039 -0.192 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . c30342_6aza 1 . 6 . 1478 . 1 1 11 ARG HG2 H 13.647 11.196 -1.283 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . c30342_6aza 1 . 6 . 1479 . 1 1 11 ARG HG3 H 14.086 11.197 -2.991 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . c30342_6aza 1 . 6 . 1480 . 1 1 11 ARG HH11 H 13.830 15.530 -2.474 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . c30342_6aza 1 . 6 . 1481 . 1 1 11 ARG HH12 H 13.565 16.826 -1.355 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . c30342_6aza 1 . 6 . 1482 . 1 1 11 ARG HH21 H 12.637 14.736 1.291 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . c30342_6aza 1 . 6 . 1483 . 1 1 11 ARG HH22 H 12.889 16.373 0.787 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . c30342_6aza 1 . 6 . 1484 . 1 1 11 ARG N N 11.923 8.891 -3.331 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . c30342_6aza 1 . 6 . 1485 . 1 1 11 ARG NE N 13.240 13.669 -0.898 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . c30342_6aza 1 . 6 . 1486 . 1 1 11 ARG NH1 N 13.572 15.847 -1.562 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . c30342_6aza 1 . 6 . 1487 . 1 1 11 ARG NH2 N 12.892 15.394 0.583 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . c30342_6aza 1 . 6 . 1488 . 1 1 11 ARG O O 9.297 9.282 -2.665 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . c30342_6aza 1 . 6 . 1489 . 1 1 12 PRO C C 7.534 11.214 -0.919 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . c30342_6aza 1 . 6 . 1490 . 1 1 12 PRO CA C 8.409 10.206 -0.180 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . c30342_6aza 1 . 6 . 1491 . 1 1 12 PRO CB C 8.554 10.603 1.291 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . c30342_6aza 1 . 6 . 1492 . 1 1 12 PRO CD C 10.730 10.763 0.316 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . c30342_6aza 1 . 6 . 1493 . 1 1 12 PRO CG C 9.828 11.372 1.352 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . c30342_6aza 1 . 6 . 1494 . 1 1 12 PRO HA H 7.962 9.225 -0.249 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . c30342_6aza 1 . 6 . 1495 . 1 1 12 PRO HB2 H 7.709 11.209 1.589 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . c30342_6aza 1 . 6 . 1496 . 1 1 12 PRO HB3 H 8.600 9.715 1.903 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . c30342_6aza 1 . 6 . 1497 . 1 1 12 PRO HD2 H 11.355 11.520 -0.134 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . c30342_6aza 1 . 6 . 1498 . 1 1 12 PRO HD3 H 11.336 9.984 0.755 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . c30342_6aza 1 . 6 . 1499 . 1 1 12 PRO HG2 H 9.640 12.411 1.121 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . c30342_6aza 1 . 6 . 1500 . 1 1 12 PRO HG3 H 10.267 11.279 2.334 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . c30342_6aza 1 . 6 . 1501 . 1 1 12 PRO N N 9.791 10.203 -0.669 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . c30342_6aza 1 . 6 . 1502 . 1 1 12 PRO O O 7.984 12.307 -1.265 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . c30342_6aza 1 . 6 . 1503 . 1 1 13 LYS C C 4.719 12.720 -0.890 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c30342_6aza 1 . 6 . 1504 . 1 1 13 LYS CA C 5.342 11.712 -1.852 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c30342_6aza 1 . 6 . 1505 . 1 1 13 LYS CB C 4.243 10.882 -2.520 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c30342_6aza 1 . 6 . 1506 . 1 1 13 LYS CD C 3.878 9.166 -4.316 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c30342_6aza 1 . 6 . 1507 . 1 1 13 LYS CE C 2.368 9.344 -4.372 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c30342_6aza 1 . 6 . 1508 . 1 1 13 LYS CG C 4.577 10.460 -3.939 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c30342_6aza 1 . 6 . 1509 . 1 1 13 LYS H H 5.980 9.958 -0.855 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c30342_6aza 1 . 6 . 1510 . 1 1 13 LYS HA H 5.888 12.248 -2.613 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c30342_6aza 1 . 6 . 1511 . 1 1 13 LYS HB2 H 4.075 9.992 -1.932 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c30342_6aza 1 . 6 . 1512 . 1 1 13 LYS HB3 H 3.333 11.464 -2.544 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c30342_6aza 1 . 6 . 1513 . 1 1 13 LYS HD2 H 4.226 8.846 -5.287 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c30342_6aza 1 . 6 . 1514 . 1 1 13 LYS HD3 H 4.115 8.410 -3.580 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c30342_6aza 1 . 6 . 1515 . 1 1 13 LYS HE2 H 1.918 8.407 -4.665 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c30342_6aza 1 . 6 . 1516 . 1 1 13 LYS HE3 H 2.015 9.619 -3.388 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c30342_6aza 1 . 6 . 1517 . 1 1 13 LYS HG2 H 4.263 11.237 -4.620 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c30342_6aza 1 . 6 . 1518 . 1 1 13 LYS HG3 H 5.645 10.318 -4.021 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c30342_6aza 1 . 6 . 1519 . 1 1 13 LYS HZ1 H 1.113 10.105 -5.857 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 6 . 1520 . 1 1 13 LYS HZ2 H 2.733 10.561 -6.029 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 6 . 1521 . 1 1 13 LYS HZ3 H 1.771 11.289 -4.843 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 6 . 1522 . 1 1 13 LYS N N 6.281 10.841 -1.157 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c30342_6aza 1 . 6 . 1523 . 1 1 13 LYS NZ N 1.969 10.400 -5.343 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c30342_6aza 1 . 6 . 1524 . 1 1 13 LYS O O 4.680 12.513 0.323 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c30342_6aza 1 . 6 . 1525 . 1 1 14 PRO C C 2.246 14.465 -0.072 . . . 1.0 . . . . . . . . . . . . A . 14 PRO C . . . . . . . . . c30342_6aza 1 . 6 . 1526 . 1 1 14 PRO CA C 3.588 14.895 -0.652 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CA . . . . . . . . . c30342_6aza 1 . 6 . 1527 . 1 1 14 PRO CB C 3.394 16.026 -1.665 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CB . . . . . . . . . c30342_6aza 1 . 6 . 1528 . 1 1 14 PRO CD C 4.232 14.148 -2.882 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CD . . . . . . . . . c30342_6aza 1 . 6 . 1529 . 1 1 14 PRO CG C 3.327 15.343 -2.988 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CG . . . . . . . . . c30342_6aza 1 . 6 . 1530 . 1 1 14 PRO HA H 4.233 15.231 0.147 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HA . . . . . . . . . c30342_6aza 1 . 6 . 1531 . 1 1 14 PRO HB2 H 2.478 16.557 -1.447 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB2 . . . . . . . . . c30342_6aza 1 . 6 . 1532 . 1 1 14 PRO HB3 H 4.232 16.707 -1.615 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB3 . . . . . . . . . c30342_6aza 1 . 6 . 1533 . 1 1 14 PRO HD2 H 3.840 13.323 -3.458 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD2 . . . . . . . . . c30342_6aza 1 . 6 . 1534 . 1 1 14 PRO HD3 H 5.230 14.398 -3.213 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD3 . . . . . . . . . c30342_6aza 1 . 6 . 1535 . 1 1 14 PRO HG2 H 2.314 15.030 -3.188 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG2 . . . . . . . . . c30342_6aza 1 . 6 . 1536 . 1 1 14 PRO HG3 H 3.676 16.009 -3.763 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG3 . . . . . . . . . c30342_6aza 1 . 6 . 1537 . 1 1 14 PRO N N 4.219 13.835 -1.444 . . . 1.0 . . . . . . . . . . . . A . 14 PRO N . . . . . . . . . c30342_6aza 1 . 6 . 1538 . 1 1 14 PRO O O 1.868 14.884 1.021 . . . 1.0 . . . . . . . . . . . . A . 14 PRO O . . . . . . . . . c30342_6aza 1 . 6 . 1539 . 1 1 15 ASN C C 0.372 11.836 0.416 . . . 1.0 . . . . . . . . . . . . A . 15 ASN C . . . . . . . . . c30342_6aza 1 . 6 . 1540 . 1 1 15 ASN CA C 0.228 13.137 -0.369 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CA . . . . . . . . . c30342_6aza 1 . 6 . 1541 . 1 1 15 ASN CB C -0.694 12.920 -1.572 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CB . . . . . . . . . c30342_6aza 1 . 6 . 1542 . 1 1 15 ASN CG C -0.173 11.853 -2.515 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CG . . . . . . . . . c30342_6aza 1 . 6 . 1543 . 1 1 15 ASN H H 1.883 13.325 -1.675 . . . 1.0 . . . . . . . . . . . . A . 15 ASN H . . . . . . . . . c30342_6aza 1 . 6 . 1544 . 1 1 15 ASN HA H -0.205 13.886 0.275 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HA . . . . . . . . . c30342_6aza 1 . 6 . 1545 . 1 1 15 ASN HB2 H -1.669 12.617 -1.219 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB2 . . . . . . . . . c30342_6aza 1 . 6 . 1546 . 1 1 15 ASN HB3 H -0.786 13.847 -2.120 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB3 . . . . . . . . . c30342_6aza 1 . 6 . 1547 . 1 1 15 ASN HD21 H -1.770 10.724 -2.158 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD21 . . . . . . . . . c30342_6aza 1 . 6 . 1548 . 1 1 15 ASN HD22 H -0.617 10.066 -3.264 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD22 . . . . . . . . . c30342_6aza 1 . 6 . 1549 . 1 1 15 ASN N N 1.529 13.624 -0.811 . . . 1.0 . . . . . . . . . . . . A . 15 ASN N . . . . . . . . . c30342_6aza 1 . 6 . 1550 . 1 1 15 ASN ND2 N -0.930 10.771 -2.661 . . . 1.0 . . . . . . . . . . . . A . 15 ASN ND2 . . . . . . . . . c30342_6aza 1 . 6 . 1551 . 1 1 15 ASN O O -0.443 11.530 1.287 . . . 1.0 . . . . . . . . . . . . A . 15 ASN O . . . . . . . . . c30342_6aza 1 . 6 . 1552 . 1 1 15 ASN OD1 O 0.897 12.000 -3.106 . . . 1.0 . . . . . . . . . . . . A . 15 ASN OD1 . . . . . . . . . c30342_6aza 1 . 6 . 1553 . 1 1 16 CYS C C 2.291 10.036 2.148 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c30342_6aza 1 . 6 . 1554 . 1 1 16 CYS CA C 1.667 9.806 0.776 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c30342_6aza 1 . 6 . 1555 . 1 1 16 CYS CB C 2.586 8.927 -0.075 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c30342_6aza 1 . 6 . 1556 . 1 1 16 CYS H H 2.029 11.371 -0.604 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c30342_6aza 1 . 6 . 1557 . 1 1 16 CYS HA H 0.720 9.305 0.903 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c30342_6aza 1 . 6 . 1558 . 1 1 16 CYS HB2 H 2.401 9.131 -1.119 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c30342_6aza 1 . 6 . 1559 . 1 1 16 CYS HB3 H 3.614 9.166 0.156 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c30342_6aza 1 . 6 . 1560 . 1 1 16 CYS N N 1.415 11.074 0.100 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c30342_6aza 1 . 6 . 1561 . 1 1 16 CYS O O 1.774 9.569 3.163 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c30342_6aza 1 . 6 . 1562 . 1 1 16 CYS SG S 2.358 7.139 0.191 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c30342_6aza 1 . 6 . 1563 . 1 1 17 GLY C C 4.469 12.499 3.563 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c30342_6aza 1 . 6 . 1564 . 1 1 17 GLY CA C 4.082 11.039 3.425 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c30342_6aza 1 . 6 . 1565 . 1 1 17 GLY H H 3.773 11.105 1.331 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c30342_6aza 1 . 6 . 1566 . 1 1 17 GLY HA2 H 3.429 10.770 4.243 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c30342_6aza 1 . 6 . 1567 . 1 1 17 GLY HA3 H 4.977 10.435 3.480 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c30342_6aza 1 . 6 . 1568 . 1 1 17 GLY N N 3.406 10.759 2.172 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c30342_6aza 1 . 6 . 1569 . 1 1 17 GLY O O 5.652 12.838 3.557 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c30342_6aza 1 . 6 . 1570 . 1 1 18 NH2 HN1 H 2.545 13.033 3.686 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . c30342_6aza 1 . 6 . 1571 . 1 1 18 NH2 HN2 H 3.632 14.345 3.784 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . c30342_6aza 1 . 6 . 1572 . 1 1 18 NH2 N N 3.468 13.364 3.688 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . c30342_6aza 1 . 7 . 1573 . 1 1 1 ARG C C 0.902 1.463 -1.460 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30342_6aza 1 . 7 . 1574 . 1 1 1 ARG CA C 0.859 0.431 -0.337 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30342_6aza 1 . 7 . 1575 . 1 1 1 ARG CB C 0.587 -0.958 -0.916 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30342_6aza 1 . 7 . 1576 . 1 1 1 ARG CD C 2.238 -2.476 0.218 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30342_6aza 1 . 7 . 1577 . 1 1 1 ARG CG C 0.774 -2.083 0.089 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30342_6aza 1 . 7 . 1578 . 1 1 1 ARG CZ C 2.251 -4.751 -0.717 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30342_6aza 1 . 7 . 1579 . 1 1 1 ARG H1 H -0.968 0.230 0.711 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30342_6aza 1 . 7 . 1580 . 1 1 1 ARG HA H 1.817 0.422 0.162 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30342_6aza 1 . 7 . 1581 . 1 1 1 ARG HB2 H -0.431 -0.992 -1.275 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30342_6aza 1 . 7 . 1582 . 1 1 1 ARG HB3 H 1.259 -1.128 -1.743 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30342_6aza 1 . 7 . 1583 . 1 1 1 ARG HD2 H 2.847 -1.596 0.083 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30342_6aza 1 . 7 . 1584 . 1 1 1 ARG HD3 H 2.402 -2.880 1.207 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30342_6aza 1 . 7 . 1585 . 1 1 1 ARG HE H 3.193 -3.185 -1.516 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30342_6aza 1 . 7 . 1586 . 1 1 1 ARG HG2 H 0.415 -1.757 1.053 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30342_6aza 1 . 7 . 1587 . 1 1 1 ARG HG3 H 0.207 -2.943 -0.238 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30342_6aza 1 . 7 . 1588 . 1 1 1 ARG HH11 H 1.183 -4.537 0.986 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30342_6aza 1 . 7 . 1589 . 1 1 1 ARG HH12 H 1.202 -6.135 0.316 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30342_6aza 1 . 7 . 1590 . 1 1 1 ARG HH21 H 3.223 -5.284 -2.406 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30342_6aza 1 . 7 . 1591 . 1 1 1 ARG HH22 H 2.362 -6.559 -1.613 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30342_6aza 1 . 7 . 1592 . 1 1 1 ARG N N -0.157 0.778 0.649 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30342_6aza 1 . 7 . 1593 . 1 1 1 ARG NE N 2.625 -3.478 -0.773 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30342_6aza 1 . 7 . 1594 . 1 1 1 ARG NH1 N 1.482 -5.176 0.277 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30342_6aza 1 . 7 . 1595 . 1 1 1 ARG NH2 N 2.645 -5.601 -1.656 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30342_6aza 1 . 7 . 1596 . 1 1 1 ARG O O 0.551 1.166 -2.603 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30342_6aza 1 . 7 . 1597 . 1 1 2 CYS C C 2.842 4.296 -2.191 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c30342_6aza 1 . 7 . 1598 . 1 1 2 CYS CA C 1.420 3.753 -2.107 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c30342_6aza 1 . 7 . 1599 . 1 1 2 CYS CB C 0.451 4.879 -1.744 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c30342_6aza 1 . 7 . 1600 . 1 1 2 CYS H H 1.597 2.852 -0.199 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c30342_6aza 1 . 7 . 1601 . 1 1 2 CYS HA H 1.144 3.348 -3.070 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c30342_6aza 1 . 7 . 1602 . 1 1 2 CYS HB2 H 0.603 5.707 -2.422 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c30342_6aza 1 . 7 . 1603 . 1 1 2 CYS HB3 H -0.563 4.520 -1.846 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c30342_6aza 1 . 7 . 1604 . 1 1 2 CYS N N 1.332 2.675 -1.127 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c30342_6aza 1 . 7 . 1605 . 1 1 2 CYS O O 3.055 5.509 -2.212 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c30342_6aza 1 . 7 . 1606 . 1 1 2 CYS SG S 0.647 5.511 -0.047 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c30342_6aza 1 . 7 . 1607 . 1 1 3 LYS C C 5.729 3.660 -3.756 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . c30342_6aza 1 . 7 . 1608 . 1 1 3 LYS CA C 5.217 3.778 -2.324 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . c30342_6aza 1 . 7 . 1609 . 1 1 3 LYS CB C 6.065 2.907 -1.395 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . c30342_6aza 1 . 7 . 1610 . 1 1 3 LYS CD C 6.905 4.553 0.308 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . c30342_6aza 1 . 7 . 1611 . 1 1 3 LYS CE C 8.338 4.140 0.606 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . c30342_6aza 1 . 7 . 1612 . 1 1 3 LYS CG C 6.016 3.345 0.060 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . c30342_6aza 1 . 7 . 1613 . 1 1 3 LYS H H 3.581 2.439 -2.220 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . c30342_6aza 1 . 7 . 1614 . 1 1 3 LYS HA H 5.297 4.808 -2.011 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . c30342_6aza 1 . 7 . 1615 . 1 1 3 LYS HB2 H 5.711 1.889 -1.453 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . c30342_6aza 1 . 7 . 1616 . 1 1 3 LYS HB3 H 7.092 2.942 -1.725 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . c30342_6aza 1 . 7 . 1617 . 1 1 3 LYS HD2 H 6.898 5.180 -0.571 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . c30342_6aza 1 . 7 . 1618 . 1 1 3 LYS HD3 H 6.515 5.106 1.150 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . c30342_6aza 1 . 7 . 1619 . 1 1 3 LYS HE2 H 8.618 3.347 -0.071 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . c30342_6aza 1 . 7 . 1620 . 1 1 3 LYS HE3 H 8.984 4.991 0.451 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . c30342_6aza 1 . 7 . 1621 . 1 1 3 LYS HG2 H 4.999 3.600 0.317 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . c30342_6aza 1 . 7 . 1622 . 1 1 3 LYS HG3 H 6.354 2.528 0.683 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . c30342_6aza 1 . 7 . 1623 . 1 1 3 LYS HZ1 H 8.282 2.644 2.063 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 7 . 1624 . 1 1 3 LYS HZ2 H 7.848 4.174 2.637 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 7 . 1625 . 1 1 3 LYS HZ3 H 9.473 3.816 2.329 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 7 . 1626 . 1 1 3 LYS N N 3.814 3.391 -2.240 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . c30342_6aza 1 . 7 . 1627 . 1 1 3 LYS NZ N 8.497 3.660 2.006 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . c30342_6aza 1 . 7 . 1628 . 1 1 3 LYS O O 5.662 2.592 -4.364 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . c30342_6aza 1 . 7 . 1629 . 1 1 4 THR C C 8.292 4.822 -5.650 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30342_6aza 1 . 7 . 1630 . 1 1 4 THR CA C 6.769 4.783 -5.649 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30342_6aza 1 . 7 . 1631 . 1 1 4 THR CB C 6.234 5.991 -6.440 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30342_6aza 1 . 7 . 1632 . 1 1 4 THR CG2 C 4.714 6.033 -6.404 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30342_6aza 1 . 7 . 1633 . 1 1 4 THR H H 6.271 5.584 -3.754 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30342_6aza 1 . 7 . 1634 . 1 1 4 THR HA H 6.441 3.881 -6.146 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30342_6aza 1 . 7 . 1635 . 1 1 4 THR HB H 6.552 5.898 -7.469 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30342_6aza 1 . 7 . 1636 . 1 1 4 THR HG1 H 6.335 7.393 -5.057 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30342_6aza 1 . 7 . 1637 . 1 1 4 THR HG21 H 4.364 6.900 -6.944 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30342_6aza 1 . 7 . 1638 . 1 1 4 THR HG22 H 4.379 6.089 -5.379 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30342_6aza 1 . 7 . 1639 . 1 1 4 THR HG23 H 4.319 5.140 -6.863 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30342_6aza 1 . 7 . 1640 . 1 1 4 THR N N 6.244 4.763 -4.289 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30342_6aza 1 . 7 . 1641 . 1 1 4 THR O O 8.911 5.304 -4.701 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30342_6aza 1 . 7 . 1642 . 1 1 4 THR OG1 O 6.763 7.206 -5.895 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30342_6aza 1 . 7 . 1643 . 1 1 5 CYS C C 10.765 4.406 -8.308 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30342_6aza 1 . 7 . 1644 . 1 1 5 CYS CA C 10.344 4.290 -6.847 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30342_6aza 1 . 7 . 1645 . 1 1 5 CYS CB C 10.908 3.003 -6.242 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30342_6aza 1 . 7 . 1646 . 1 1 5 CYS H H 8.343 3.943 -7.445 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30342_6aza 1 . 7 . 1647 . 1 1 5 CYS HA H 10.738 5.136 -6.304 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30342_6aza 1 . 7 . 1648 . 1 1 5 CYS HB2 H 10.288 2.703 -5.412 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30342_6aza 1 . 7 . 1649 . 1 1 5 CYS HB3 H 10.898 2.227 -6.993 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30342_6aza 1 . 7 . 1650 . 1 1 5 CYS N N 8.892 4.313 -6.721 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30342_6aza 1 . 7 . 1651 . 1 1 5 CYS O O 10.306 3.645 -9.160 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30342_6aza 1 . 7 . 1652 . 1 1 5 CYS SG S 12.616 3.158 -5.628 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30342_6aza 1 . 7 . 1653 . 1 1 6 SER C C 13.556 5.078 -10.108 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . c30342_6aza 1 . 7 . 1654 . 1 1 6 SER CA C 12.125 5.583 -9.951 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . c30342_6aza 1 . 7 . 1655 . 1 1 6 SER CB C 12.055 7.070 -10.306 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . c30342_6aza 1 . 7 . 1656 . 1 1 6 SER H H 11.972 5.939 -7.869 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . c30342_6aza 1 . 7 . 1657 . 1 1 6 SER HA H 11.484 5.030 -10.621 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . c30342_6aza 1 . 7 . 1658 . 1 1 6 SER HB2 H 12.966 7.556 -9.993 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . c30342_6aza 1 . 7 . 1659 . 1 1 6 SER HB3 H 11.937 7.176 -11.374 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . c30342_6aza 1 . 7 . 1660 . 1 1 6 SER HG H 10.739 8.510 -10.121 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . c30342_6aza 1 . 7 . 1661 . 1 1 6 SER N N 11.643 5.364 -8.591 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . c30342_6aza 1 . 7 . 1662 . 1 1 6 SER O O 14.223 4.750 -9.126 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . c30342_6aza 1 . 7 . 1663 . 1 1 6 SER OG O 10.959 7.697 -9.661 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . c30342_6aza 1 . 7 . 1664 . 1 1 7 LYS C C 16.410 5.551 -11.131 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30342_6aza 1 . 7 . 1665 . 1 1 7 LYS CA C 15.374 4.554 -11.640 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30342_6aza 1 . 7 . 1666 . 1 1 7 LYS CB C 15.550 4.341 -13.145 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30342_6aza 1 . 7 . 1667 . 1 1 7 LYS CD C 16.464 2.011 -13.364 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30342_6aza 1 . 7 . 1668 . 1 1 7 LYS CE C 17.722 1.173 -13.540 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30342_6aza 1 . 7 . 1669 . 1 1 7 LYS CG C 16.761 3.495 -13.501 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30342_6aza 1 . 7 . 1670 . 1 1 7 LYS H H 13.442 5.294 -12.092 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30342_6aza 1 . 7 . 1671 . 1 1 7 LYS HA H 15.518 3.613 -11.131 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30342_6aza 1 . 7 . 1672 . 1 1 7 LYS HB2 H 14.669 3.851 -13.533 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30342_6aza 1 . 7 . 1673 . 1 1 7 LYS HB3 H 15.657 5.305 -13.622 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30342_6aza 1 . 7 . 1674 . 1 1 7 LYS HD2 H 16.055 1.824 -12.383 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30342_6aza 1 . 7 . 1675 . 1 1 7 LYS HD3 H 15.744 1.726 -14.117 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30342_6aza 1 . 7 . 1676 . 1 1 7 LYS HE2 H 18.508 1.595 -12.931 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30342_6aza 1 . 7 . 1677 . 1 1 7 LYS HE3 H 17.515 0.166 -13.214 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30342_6aza 1 . 7 . 1678 . 1 1 7 LYS HG2 H 17.045 3.702 -14.522 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30342_6aza 1 . 7 . 1679 . 1 1 7 LYS HG3 H 17.576 3.753 -12.839 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30342_6aza 1 . 7 . 1680 . 1 1 7 LYS HZ1 H 17.504 1.665 -15.558 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 7 . 1681 . 1 1 7 LYS HZ2 H 18.223 0.158 -15.294 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 7 . 1682 . 1 1 7 LYS HZ3 H 19.113 1.574 -15.046 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 7 . 1683 . 1 1 7 LYS N N 14.022 5.018 -11.351 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30342_6aza 1 . 7 . 1684 . 1 1 7 LYS NZ N 18.173 1.140 -14.959 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30342_6aza 1 . 7 . 1685 . 1 1 7 LYS O O 16.706 6.545 -11.793 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30342_6aza 1 . 7 . 1686 . 1 1 8 GLY C C 17.361 7.162 -8.412 . . . 1.0 . . . . . . . . . . . . A . 8 GLY C . . . . . . . . . c30342_6aza 1 . 7 . 1687 . 1 1 8 GLY CA C 17.961 6.158 -9.377 . . . 1.0 . . . . . . . . . . . . A . 8 GLY CA . . . . . . . . . c30342_6aza 1 . 7 . 1688 . 1 1 8 GLY H H 16.686 4.469 -9.470 . . . 1.0 . . . . . . . . . . . . A . 8 GLY H . . . . . . . . . c30342_6aza 1 . 7 . 1689 . 1 1 8 GLY HA2 H 18.690 5.560 -8.852 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA2 . . . . . . . . . c30342_6aza 1 . 7 . 1690 . 1 1 8 GLY HA3 H 18.454 6.693 -10.175 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA3 . . . . . . . . . c30342_6aza 1 . 7 . 1691 . 1 1 8 GLY N N 16.961 5.277 -9.952 . . . 1.0 . . . . . . . . . . . . A . 8 GLY N . . . . . . . . . c30342_6aza 1 . 7 . 1692 . 1 1 8 GLY O O 18.035 7.628 -7.493 . . . 1.0 . . . . . . . . . . . . A . 8 GLY O . . . . . . . . . c30342_6aza 1 . 7 . 1693 . 1 1 9 ARG C C 14.261 7.785 -7.009 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c30342_6aza 1 . 7 . 1694 . 1 1 9 ARG CA C 15.403 8.455 -7.767 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c30342_6aza 1 . 7 . 1695 . 1 1 9 ARG CB C 14.863 9.619 -8.598 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c30342_6aza 1 . 7 . 1696 . 1 1 9 ARG CD C 15.496 11.481 -10.163 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c30342_6aza 1 . 7 . 1697 . 1 1 9 ARG CG C 15.920 10.648 -8.964 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c30342_6aza 1 . 7 . 1698 . 1 1 9 ARG CZ C 15.051 13.651 -9.097 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c30342_6aza 1 . 7 . 1699 . 1 1 9 ARG H H 15.608 7.091 -9.371 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c30342_6aza 1 . 7 . 1700 . 1 1 9 ARG HA H 16.118 8.836 -7.052 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c30342_6aza 1 . 7 . 1701 . 1 1 9 ARG HB2 H 14.442 9.229 -9.513 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c30342_6aza 1 . 7 . 1702 . 1 1 9 ARG HB3 H 14.085 10.116 -8.038 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c30342_6aza 1 . 7 . 1703 . 1 1 9 ARG HD2 H 16.380 11.877 -10.642 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c30342_6aza 1 . 7 . 1704 . 1 1 9 ARG HD3 H 14.965 10.846 -10.855 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c30342_6aza 1 . 7 . 1705 . 1 1 9 ARG HE H 13.687 12.546 -10.043 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c30342_6aza 1 . 7 . 1706 . 1 1 9 ARG HG2 H 16.077 11.306 -8.121 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c30342_6aza 1 . 7 . 1707 . 1 1 9 ARG HG3 H 16.841 10.137 -9.199 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c30342_6aza 1 . 7 . 1708 . 1 1 9 ARG HH11 H 16.964 13.013 -8.961 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c30342_6aza 1 . 7 . 1709 . 1 1 9 ARG HH12 H 16.636 14.542 -8.214 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c30342_6aza 1 . 7 . 1710 . 1 1 9 ARG HH21 H 13.245 14.557 -9.062 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c30342_6aza 1 . 7 . 1711 . 1 1 9 ARG HH22 H 14.521 15.419 -8.271 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c30342_6aza 1 . 7 . 1712 . 1 1 9 ARG N N 16.092 7.497 -8.623 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c30342_6aza 1 . 7 . 1713 . 1 1 9 ARG NE N 14.630 12.593 -9.779 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c30342_6aza 1 . 7 . 1714 . 1 1 9 ARG NH1 N 16.320 13.743 -8.726 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c30342_6aza 1 . 7 . 1715 . 1 1 9 ARG NH2 N 14.202 14.622 -8.786 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c30342_6aza 1 . 7 . 1716 . 1 1 9 ARG O O 13.276 7.348 -7.608 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c30342_6aza 1 . 7 . 1717 . 1 1 10 CYS C C 13.100 7.939 -3.617 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30342_6aza 1 . 7 . 1718 . 1 1 10 CYS CA C 13.381 7.087 -4.850 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30342_6aza 1 . 7 . 1719 . 1 1 10 CYS CB C 13.821 5.684 -4.425 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30342_6aza 1 . 7 . 1720 . 1 1 10 CYS H H 15.207 8.071 -5.270 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30342_6aza 1 . 7 . 1721 . 1 1 10 CYS HA H 12.474 7.007 -5.431 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30342_6aza 1 . 7 . 1722 . 1 1 10 CYS HB2 H 14.439 5.259 -5.201 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30342_6aza 1 . 7 . 1723 . 1 1 10 CYS HB3 H 14.398 5.757 -3.514 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30342_6aza 1 . 7 . 1724 . 1 1 10 CYS N N 14.398 7.704 -5.690 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30342_6aza 1 . 7 . 1725 . 1 1 10 CYS O O 13.946 8.062 -2.729 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30342_6aza 1 . 7 . 1726 . 1 1 10 CYS SG S 12.445 4.532 -4.119 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30342_6aza 1 . 7 . 1727 . 1 1 11 ARG C C 10.025 9.245 -2.164 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . c30342_6aza 1 . 7 . 1728 . 1 1 11 ARG CA C 11.519 9.371 -2.444 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . c30342_6aza 1 . 7 . 1729 . 1 1 11 ARG CB C 11.873 10.831 -2.727 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . c30342_6aza 1 . 7 . 1730 . 1 1 11 ARG CD C 13.088 12.773 -1.691 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . c30342_6aza 1 . 7 . 1731 . 1 1 11 ARG CG C 13.148 11.293 -2.038 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . c30342_6aza 1 . 7 . 1732 . 1 1 11 ARG CZ C 12.163 14.813 -2.699 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . c30342_6aza 1 . 7 . 1733 . 1 1 11 ARG H H 11.279 8.391 -4.305 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . c30342_6aza 1 . 7 . 1734 . 1 1 11 ARG HA H 12.065 9.038 -1.574 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . c30342_6aza 1 . 7 . 1735 . 1 1 11 ARG HB2 H 12.001 10.959 -3.791 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . c30342_6aza 1 . 7 . 1736 . 1 1 11 ARG HB3 H 11.061 11.458 -2.391 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . c30342_6aza 1 . 7 . 1737 . 1 1 11 ARG HD2 H 12.400 12.909 -0.871 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . c30342_6aza 1 . 7 . 1738 . 1 1 11 ARG HD3 H 14.074 13.097 -1.393 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . c30342_6aza 1 . 7 . 1739 . 1 1 11 ARG HE H 12.709 13.187 -3.716 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . c30342_6aza 1 . 7 . 1740 . 1 1 11 ARG HG2 H 13.280 10.726 -1.127 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . c30342_6aza 1 . 7 . 1741 . 1 1 11 ARG HG3 H 13.986 11.119 -2.698 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . c30342_6aza 1 . 7 . 1742 . 1 1 11 ARG HH11 H 12.353 14.870 -0.691 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . c30342_6aza 1 . 7 . 1743 . 1 1 11 ARG HH12 H 11.702 16.304 -1.414 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . c30342_6aza 1 . 7 . 1744 . 1 1 11 ARG HH21 H 11.854 15.069 -4.681 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . c30342_6aza 1 . 7 . 1745 . 1 1 11 ARG HH22 H 11.417 16.415 -3.684 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . c30342_6aza 1 . 7 . 1746 . 1 1 11 ARG N N 11.909 8.528 -3.568 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . c30342_6aza 1 . 7 . 1747 . 1 1 11 ARG NE N 12.644 13.582 -2.822 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . c30342_6aza 1 . 7 . 1748 . 1 1 11 ARG NH1 N 12.065 15.375 -1.502 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . c30342_6aza 1 . 7 . 1749 . 1 1 11 ARG NH2 N 11.780 15.488 -3.777 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . c30342_6aza 1 . 7 . 1750 . 1 1 11 ARG O O 9.243 8.810 -3.010 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . c30342_6aza 1 . 7 . 1751 . 1 1 12 PRO C C 7.345 10.595 -1.249 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . c30342_6aza 1 . 7 . 1752 . 1 1 12 PRO CA C 8.213 9.570 -0.525 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . c30342_6aza 1 . 7 . 1753 . 1 1 12 PRO CB C 8.276 9.886 0.970 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . c30342_6aza 1 . 7 . 1754 . 1 1 12 PRO CD C 10.493 10.158 0.114 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . c30342_6aza 1 . 7 . 1755 . 1 1 12 PRO CG C 9.523 10.685 1.136 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . c30342_6aza 1 . 7 . 1756 . 1 1 12 PRO HA H 7.798 8.584 -0.669 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . c30342_6aza 1 . 7 . 1757 . 1 1 12 PRO HB2 H 7.402 10.453 1.260 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . c30342_6aza 1 . 7 . 1758 . 1 1 12 PRO HB3 H 8.320 8.967 1.535 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . c30342_6aza 1 . 7 . 1759 . 1 1 12 PRO HD2 H 11.115 10.955 -0.262 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . c30342_6aza 1 . 7 . 1760 . 1 1 12 PRO HD3 H 11.099 9.371 0.539 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . c30342_6aza 1 . 7 . 1761 . 1 1 12 PRO HG2 H 9.318 11.729 0.954 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . c30342_6aza 1 . 7 . 1762 . 1 1 12 PRO HG3 H 9.918 10.547 2.132 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . c30342_6aza 1 . 7 . 1763 . 1 1 12 PRO N N 9.616 9.631 -0.946 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . c30342_6aza 1 . 7 . 1764 . 1 1 12 PRO O O 7.781 11.716 -1.513 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . c30342_6aza 1 . 7 . 1765 . 1 1 13 LYS C C 4.598 12.118 -1.301 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c30342_6aza 1 . 7 . 1766 . 1 1 13 LYS CA C 5.186 11.088 -2.260 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c30342_6aza 1 . 7 . 1767 . 1 1 13 LYS CB C 4.062 10.275 -2.906 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c30342_6aza 1 . 7 . 1768 . 1 1 13 LYS CD C 3.182 9.380 -5.080 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c30342_6aza 1 . 7 . 1769 . 1 1 13 LYS CE C 2.352 8.297 -4.410 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c30342_6aza 1 . 7 . 1770 . 1 1 13 LYS CG C 4.423 9.714 -4.270 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c30342_6aza 1 . 7 . 1771 . 1 1 13 LYS H H 5.827 9.298 -1.330 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c30342_6aza 1 . 7 . 1772 . 1 1 13 LYS HA H 5.734 11.604 -3.034 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c30342_6aza 1 . 7 . 1773 . 1 1 13 LYS HB2 H 3.812 9.450 -2.254 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c30342_6aza 1 . 7 . 1774 . 1 1 13 LYS HB3 H 3.194 10.909 -3.018 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c30342_6aza 1 . 7 . 1775 . 1 1 13 LYS HD2 H 2.578 10.270 -5.182 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c30342_6aza 1 . 7 . 1776 . 1 1 13 LYS HD3 H 3.484 9.036 -6.060 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c30342_6aza 1 . 7 . 1777 . 1 1 13 LYS HE2 H 3.017 7.593 -3.935 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c30342_6aza 1 . 7 . 1778 . 1 1 13 LYS HE3 H 1.721 8.757 -3.662 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c30342_6aza 1 . 7 . 1779 . 1 1 13 LYS HG2 H 5.005 10.446 -4.808 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c30342_6aza 1 . 7 . 1780 . 1 1 13 LYS HG3 H 5.006 8.814 -4.136 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c30342_6aza 1 . 7 . 1781 . 1 1 13 LYS HZ1 H 0.500 7.854 -5.269 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 7 . 1782 . 1 1 13 LYS HZ2 H 1.569 6.544 -5.234 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 7 . 1783 . 1 1 13 LYS HZ3 H 1.793 7.789 -6.357 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 7 . 1784 . 1 1 13 LYS N N 6.117 10.203 -1.568 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c30342_6aza 1 . 7 . 1785 . 1 1 13 LYS NZ N 1.494 7.570 -5.387 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c30342_6aza 1 . 7 . 1786 . 1 1 13 LYS O O 4.572 11.924 -0.086 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c30342_6aza 1 . 7 . 1787 . 1 1 14 PRO C C 2.174 13.923 -0.468 . . . 1.0 . . . . . . . . . . . . A . 14 PRO C . . . . . . . . . c30342_6aza 1 . 7 . 1788 . 1 1 14 PRO CA C 3.517 14.320 -1.069 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CA . . . . . . . . . c30342_6aza 1 . 7 . 1789 . 1 1 14 PRO CB C 3.335 15.444 -2.092 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CB . . . . . . . . . c30342_6aza 1 . 7 . 1790 . 1 1 14 PRO CD C 4.116 13.535 -3.299 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CD . . . . . . . . . c30342_6aza 1 . 7 . 1791 . 1 1 14 PRO CG C 3.235 14.749 -3.406 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CG . . . . . . . . . c30342_6aza 1 . 7 . 1792 . 1 1 14 PRO HA H 4.180 14.650 -0.282 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HA . . . . . . . . . c30342_6aza 1 . 7 . 1793 . 1 1 14 PRO HB2 H 2.432 15.996 -1.865 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB2 . . . . . . . . . c30342_6aza 1 . 7 . 1794 . 1 1 14 PRO HB3 H 4.186 16.106 -2.059 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB3 . . . . . . . . . c30342_6aza 1 . 7 . 1795 . 1 1 14 PRO HD2 H 3.697 12.715 -3.864 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD2 . . . . . . . . . c30342_6aza 1 . 7 . 1796 . 1 1 14 PRO HD3 H 5.114 13.763 -3.646 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD3 . . . . . . . . . c30342_6aza 1 . 7 . 1797 . 1 1 14 PRO HG2 H 2.212 14.456 -3.589 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG2 . . . . . . . . . c30342_6aza 1 . 7 . 1798 . 1 1 14 PRO HG3 H 3.587 15.401 -4.191 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG3 . . . . . . . . . c30342_6aza 1 . 7 . 1799 . 1 1 14 PRO N N 4.116 13.238 -1.858 . . . 1.0 . . . . . . . . . . . . A . 14 PRO N . . . . . . . . . c30342_6aza 1 . 7 . 1800 . 1 1 14 PRO O O 1.843 14.319 0.649 . . . 1.0 . . . . . . . . . . . . A . 14 PRO O . . . . . . . . . c30342_6aza 1 . 7 . 1801 . 1 1 15 ASN C C 0.234 11.524 0.223 . . . 1.0 . . . . . . . . . . . . A . 15 ASN C . . . . . . . . . c30342_6aza 1 . 7 . 1802 . 1 1 15 ASN CA C 0.095 12.687 -0.753 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CA . . . . . . . . . c30342_6aza 1 . 7 . 1803 . 1 1 15 ASN CB C -0.772 12.270 -1.943 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CB . . . . . . . . . c30342_6aza 1 . 7 . 1804 . 1 1 15 ASN CG C -1.583 13.424 -2.500 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CG . . . . . . . . . c30342_6aza 1 . 7 . 1805 . 1 1 15 ASN H H 1.724 12.856 -2.097 . . . 1.0 . . . . . . . . . . . . A . 15 ASN H . . . . . . . . . c30342_6aza 1 . 7 . 1806 . 1 1 15 ASN HA H -0.379 13.514 -0.246 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HA . . . . . . . . . c30342_6aza 1 . 7 . 1807 . 1 1 15 ASN HB2 H -0.134 11.892 -2.729 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB2 . . . . . . . . . c30342_6aza 1 . 7 . 1808 . 1 1 15 ASN HB3 H -1.452 11.493 -1.631 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB3 . . . . . . . . . c30342_6aza 1 . 7 . 1809 . 1 1 15 ASN HD21 H -1.925 12.408 -4.175 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD21 . . . . . . . . . c30342_6aza 1 . 7 . 1810 . 1 1 15 ASN HD22 H -2.625 13.985 -4.097 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD22 . . . . . . . . . c30342_6aza 1 . 7 . 1811 . 1 1 15 ASN N N 1.405 13.138 -1.215 . . . 1.0 . . . . . . . . . . . . A . 15 ASN N . . . . . . . . . c30342_6aza 1 . 7 . 1812 . 1 1 15 ASN ND2 N -2.097 13.254 -3.713 . . . 1.0 . . . . . . . . . . . . A . 15 ASN ND2 . . . . . . . . . c30342_6aza 1 . 7 . 1813 . 1 1 15 ASN O O -0.609 11.330 1.099 . . . 1.0 . . . . . . . . . . . . A . 15 ASN O . . . . . . . . . c30342_6aza 1 . 7 . 1814 . 1 1 15 ASN OD1 O -1.747 14.454 -1.847 . . . 1.0 . . . . . . . . . . . . A . 15 ASN OD1 . . . . . . . . . c30342_6aza 1 . 7 . 1815 . 1 1 16 CYS C C 2.807 9.824 1.775 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c30342_6aza 1 . 7 . 1816 . 1 1 16 CYS CA C 1.554 9.605 0.932 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c30342_6aza 1 . 7 . 1817 . 1 1 16 CYS CB C 1.703 8.332 0.099 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c30342_6aza 1 . 7 . 1818 . 1 1 16 CYS H H 1.941 10.955 -0.652 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c30342_6aza 1 . 7 . 1819 . 1 1 16 CYS HA H 0.706 9.497 1.591 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c30342_6aza 1 . 7 . 1820 . 1 1 16 CYS HB2 H 2.124 8.587 -0.864 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c30342_6aza 1 . 7 . 1821 . 1 1 16 CYS HB3 H 2.370 7.653 0.608 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c30342_6aza 1 . 7 . 1822 . 1 1 16 CYS N N 1.303 10.751 0.066 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c30342_6aza 1 . 7 . 1823 . 1 1 16 CYS O O 3.891 9.359 1.428 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c30342_6aza 1 . 7 . 1824 . 1 1 16 CYS SG S 0.136 7.452 -0.201 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c30342_6aza 1 . 7 . 1825 . 1 1 17 GLY C C 3.704 10.018 5.055 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c30342_6aza 1 . 7 . 1826 . 1 1 17 GLY CA C 3.775 10.806 3.762 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c30342_6aza 1 . 7 . 1827 . 1 1 17 GLY H H 1.760 10.884 3.114 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c30342_6aza 1 . 7 . 1828 . 1 1 17 GLY HA2 H 4.687 10.550 3.246 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c30342_6aza 1 . 7 . 1829 . 1 1 17 GLY HA3 H 3.789 11.861 3.997 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c30342_6aza 1 . 7 . 1830 . 1 1 17 GLY N N 2.649 10.537 2.887 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c30342_6aza 1 . 7 . 1831 . 1 1 17 GLY O O 2.638 9.893 5.656 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c30342_6aza 1 . 7 . 1832 . 1 1 18 NH2 HN1 H 5.661 9.618 4.960 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . c30342_6aza 1 . 7 . 1833 . 1 1 18 NH2 HN2 H 4.887 8.947 6.326 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . c30342_6aza 1 . 7 . 1834 . 1 1 18 NH2 N N 4.843 9.483 5.482 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . c30342_6aza 1 . 8 . 1835 . 1 1 1 ARG C C 1.148 1.407 -0.451 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30342_6aza 1 . 8 . 1836 . 1 1 1 ARG CA C 0.411 0.089 -0.231 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30342_6aza 1 . 8 . 1837 . 1 1 1 ARG CB C -0.079 0.004 1.216 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30342_6aza 1 . 8 . 1838 . 1 1 1 ARG CD C -1.667 0.852 2.969 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30342_6aza 1 . 8 . 1839 . 1 1 1 ARG CG C -1.325 0.830 1.487 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30342_6aza 1 . 8 . 1840 . 1 1 1 ARG CZ C -3.682 1.047 4.364 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30342_6aza 1 . 8 . 1841 . 1 1 1 ARG H1 H 1.113 -1.902 -0.093 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30342_6aza 1 . 8 . 1842 . 1 1 1 ARG HA H -0.441 0.052 -0.892 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30342_6aza 1 . 8 . 1843 . 1 1 1 ARG HB2 H -0.301 -1.028 1.448 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30342_6aza 1 . 8 . 1844 . 1 1 1 ARG HB3 H 0.706 0.351 1.870 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30342_6aza 1 . 8 . 1845 . 1 1 1 ARG HD2 H -1.490 -0.130 3.381 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30342_6aza 1 . 8 . 1846 . 1 1 1 ARG HD3 H -1.029 1.570 3.461 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30342_6aza 1 . 8 . 1847 . 1 1 1 ARG HE H -3.559 1.615 2.457 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30342_6aza 1 . 8 . 1848 . 1 1 1 ARG HG2 H -1.154 1.843 1.154 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30342_6aza 1 . 8 . 1849 . 1 1 1 ARG HG3 H -2.154 0.405 0.942 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30342_6aza 1 . 8 . 1850 . 1 1 1 ARG HH11 H -2.078 0.244 5.295 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30342_6aza 1 . 8 . 1851 . 1 1 1 ARG HH12 H -3.504 0.388 6.266 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30342_6aza 1 . 8 . 1852 . 1 1 1 ARG HH21 H -5.444 1.807 3.727 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30342_6aza 1 . 8 . 1853 . 1 1 1 ARG HH22 H -5.418 1.276 5.373 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30342_6aza 1 . 8 . 1854 . 1 1 1 ARG N N 1.270 -1.046 -0.541 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30342_6aza 1 . 8 . 1855 . 1 1 1 ARG NE N -3.062 1.219 3.203 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30342_6aza 1 . 8 . 1856 . 1 1 1 ARG NH1 N -3.035 0.516 5.393 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30342_6aza 1 . 8 . 1857 . 1 1 1 ARG NH2 N -4.952 1.405 4.500 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30342_6aza 1 . 8 . 1858 . 1 1 1 ARG O O 1.928 1.843 0.395 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30342_6aza 1 . 8 . 1859 . 1 1 2 CYS C C 3.051 3.142 -2.007 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c30342_6aza 1 . 8 . 1860 . 1 1 2 CYS CA C 1.535 3.302 -1.929 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c30342_6aza 1 . 8 . 1861 . 1 1 2 CYS CB C 1.177 4.367 -0.892 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c30342_6aza 1 . 8 . 1862 . 1 1 2 CYS H H 0.264 1.636 -2.231 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c30342_6aza 1 . 8 . 1863 . 1 1 2 CYS HA H 1.168 3.614 -2.895 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c30342_6aza 1 . 8 . 1864 . 1 1 2 CYS HB2 H 0.135 4.260 -0.622 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c30342_6aza 1 . 8 . 1865 . 1 1 2 CYS HB3 H 1.787 4.224 -0.013 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c30342_6aza 1 . 8 . 1866 . 1 1 2 CYS N N 0.896 2.035 -1.595 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c30342_6aza 1 . 8 . 1867 . 1 1 2 CYS O O 3.793 3.765 -1.246 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c30342_6aza 1 . 8 . 1868 . 1 1 2 CYS SG S 1.423 6.078 -1.468 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c30342_6aza 1 . 8 . 1869 . 1 1 3 LYS C C 5.398 2.555 -4.477 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . c30342_6aza 1 . 8 . 1870 . 1 1 3 LYS CA C 4.932 2.062 -3.112 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . c30342_6aza 1 . 8 . 1871 . 1 1 3 LYS CB C 5.239 0.569 -2.965 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . c30342_6aza 1 . 8 . 1872 . 1 1 3 LYS CD C 4.423 0.417 -0.594 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . c30342_6aza 1 . 8 . 1873 . 1 1 3 LYS CE C 4.528 -0.438 0.659 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . c30342_6aza 1 . 8 . 1874 . 1 1 3 LYS CG C 5.580 0.156 -1.543 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . c30342_6aza 1 . 8 . 1875 . 1 1 3 LYS H H 2.865 1.836 -3.509 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . c30342_6aza 1 . 8 . 1876 . 1 1 3 LYS HA H 5.461 2.608 -2.345 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . c30342_6aza 1 . 8 . 1877 . 1 1 3 LYS HB2 H 4.378 0.002 -3.286 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . c30342_6aza 1 . 8 . 1878 . 1 1 3 LYS HB3 H 6.078 0.324 -3.601 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . c30342_6aza 1 . 8 . 1879 . 1 1 3 LYS HD2 H 4.431 1.458 -0.307 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . c30342_6aza 1 . 8 . 1880 . 1 1 3 LYS HD3 H 3.496 0.186 -1.100 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . c30342_6aza 1 . 8 . 1881 . 1 1 3 LYS HE2 H 4.099 -1.408 0.455 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . c30342_6aza 1 . 8 . 1882 . 1 1 3 LYS HE3 H 5.571 -0.553 0.914 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . c30342_6aza 1 . 8 . 1883 . 1 1 3 LYS HG2 H 5.813 -0.899 -1.531 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . c30342_6aza 1 . 8 . 1884 . 1 1 3 LYS HG3 H 6.441 0.720 -1.212 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . c30342_6aza 1 . 8 . 1885 . 1 1 3 LYS HZ1 H 4.412 0.149 2.660 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 8 . 1886 . 1 1 3 LYS HZ2 H 2.933 -0.345 2.006 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 8 . 1887 . 1 1 3 LYS HZ3 H 3.574 1.167 1.597 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 8 . 1888 . 1 1 3 LYS N N 3.505 2.303 -2.932 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . c30342_6aza 1 . 8 . 1889 . 1 1 3 LYS NZ N 3.812 0.177 1.812 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . c30342_6aza 1 . 8 . 1890 . 1 1 3 LYS O O 4.982 2.038 -5.514 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . c30342_6aza 1 . 8 . 1891 . 1 1 4 THR C C 8.307 4.293 -5.638 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30342_6aza 1 . 8 . 1892 . 1 1 4 THR CA C 6.795 4.123 -5.709 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30342_6aza 1 . 8 . 1893 . 1 1 4 THR CB C 6.151 5.487 -6.023 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30342_6aza 1 . 8 . 1894 . 1 1 4 THR CG2 C 6.460 6.496 -4.926 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30342_6aza 1 . 8 . 1895 . 1 1 4 THR H H 6.565 3.931 -3.615 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30342_6aza 1 . 8 . 1896 . 1 1 4 THR HA H 6.555 3.444 -6.514 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30342_6aza 1 . 8 . 1897 . 1 1 4 THR HB H 5.080 5.358 -6.082 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30342_6aza 1 . 8 . 1898 . 1 1 4 THR HG1 H 5.934 5.918 -7.936 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30342_6aza 1 . 8 . 1899 . 1 1 4 THR HG21 H 5.579 7.086 -4.722 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30342_6aza 1 . 8 . 1900 . 1 1 4 THR HG22 H 7.261 7.144 -5.248 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30342_6aza 1 . 8 . 1901 . 1 1 4 THR HG23 H 6.758 5.972 -4.030 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30342_6aza 1 . 8 . 1902 . 1 1 4 THR N N 6.270 3.560 -4.473 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30342_6aza 1 . 8 . 1903 . 1 1 4 THR O O 8.854 4.665 -4.599 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30342_6aza 1 . 8 . 1904 . 1 1 4 THR OG1 O 6.632 5.979 -7.279 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30342_6aza 1 . 8 . 1905 . 1 1 5 CYS C C 10.918 4.106 -8.263 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30342_6aza 1 . 8 . 1906 . 1 1 5 CYS CA C 10.433 4.137 -6.816 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30342_6aza 1 . 8 . 1907 . 1 1 5 CYS CB C 11.095 3.012 -6.020 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30342_6aza 1 . 8 . 1908 . 1 1 5 CYS H H 8.490 3.723 -7.548 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30342_6aza 1 . 8 . 1909 . 1 1 5 CYS HA H 10.707 5.086 -6.379 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30342_6aza 1 . 8 . 1910 . 1 1 5 CYS HB2 H 10.520 2.825 -5.125 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30342_6aza 1 . 8 . 1911 . 1 1 5 CYS HB3 H 11.114 2.116 -6.623 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30342_6aza 1 . 8 . 1912 . 1 1 5 CYS N N 8.982 4.016 -6.750 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30342_6aza 1 . 8 . 1913 . 1 1 5 CYS O O 10.616 3.175 -9.009 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30342_6aza 1 . 8 . 1914 . 1 1 5 CYS SG S 12.807 3.371 -5.508 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30342_6aza 1 . 8 . 1915 . 1 1 6 SER C C 13.680 4.881 -10.042 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . c30342_6aza 1 . 8 . 1916 . 1 1 6 SER CA C 12.194 5.223 -10.009 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . c30342_6aza 1 . 8 . 1917 . 1 1 6 SER CB C 11.970 6.628 -10.570 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . c30342_6aza 1 . 8 . 1918 . 1 1 6 SER H H 11.876 5.843 -8.008 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . c30342_6aza 1 . 8 . 1919 . 1 1 6 SER HA H 11.659 4.510 -10.619 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . c30342_6aza 1 . 8 . 1920 . 1 1 6 SER HB2 H 12.838 7.236 -10.368 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . c30342_6aza 1 . 8 . 1921 . 1 1 6 SER HB3 H 11.815 6.566 -11.638 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . c30342_6aza 1 . 8 . 1922 . 1 1 6 SER HG H 11.032 8.160 -9.788 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . c30342_6aza 1 . 8 . 1923 . 1 1 6 SER N N 11.671 5.130 -8.650 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . c30342_6aza 1 . 8 . 1924 . 1 1 6 SER O O 14.328 4.771 -9.002 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . c30342_6aza 1 . 8 . 1925 . 1 1 6 SER OG O 10.836 7.239 -9.978 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . c30342_6aza 1 . 8 . 1926 . 1 1 7 LYS C C 16.511 5.555 -11.012 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30342_6aza 1 . 8 . 1927 . 1 1 7 LYS CA C 15.625 4.380 -11.420 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30342_6aza 1 . 8 . 1928 . 1 1 7 LYS CB C 15.905 3.996 -12.874 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30342_6aza 1 . 8 . 1929 . 1 1 7 LYS CD C 16.789 1.646 -12.786 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30342_6aza 1 . 8 . 1930 . 1 1 7 LYS CE C 16.724 0.298 -13.486 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30342_6aza 1 . 8 . 1931 . 1 1 7 LYS CG C 15.623 2.537 -13.183 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30342_6aza 1 . 8 . 1932 . 1 1 7 LYS H H 13.647 4.809 -12.040 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30342_6aza 1 . 8 . 1933 . 1 1 7 LYS HA H 15.849 3.538 -10.783 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30342_6aza 1 . 8 . 1934 . 1 1 7 LYS HB2 H 15.291 4.605 -13.520 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30342_6aza 1 . 8 . 1935 . 1 1 7 LYS HB3 H 16.945 4.193 -13.091 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30342_6aza 1 . 8 . 1936 . 1 1 7 LYS HD2 H 17.713 2.136 -13.058 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30342_6aza 1 . 8 . 1937 . 1 1 7 LYS HD3 H 16.763 1.489 -11.717 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30342_6aza 1 . 8 . 1938 . 1 1 7 LYS HE2 H 17.450 -0.362 -13.037 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30342_6aza 1 . 8 . 1939 . 1 1 7 LYS HE3 H 15.734 -0.115 -13.354 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30342_6aza 1 . 8 . 1940 . 1 1 7 LYS HG2 H 14.745 2.225 -12.635 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30342_6aza 1 . 8 . 1941 . 1 1 7 LYS HG3 H 15.444 2.429 -14.242 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30342_6aza 1 . 8 . 1942 . 1 1 7 LYS HZ1 H 17.031 -0.530 -15.379 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 8 . 1943 . 1 1 7 LYS HZ2 H 17.931 0.872 -15.090 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 8 . 1944 . 1 1 7 LYS HZ3 H 16.274 0.983 -15.407 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 8 . 1945 . 1 1 7 LYS N N 14.214 4.710 -11.247 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30342_6aza 1 . 8 . 1946 . 1 1 7 LYS NZ N 17.009 0.414 -14.943 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30342_6aza 1 . 8 . 1947 . 1 1 7 LYS O O 16.713 6.489 -11.786 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30342_6aza 1 . 8 . 1948 . 1 1 8 GLY C C 17.147 7.570 -8.462 . . . 1.0 . . . . . . . . . . . . A . 8 GLY C . . . . . . . . . c30342_6aza 1 . 8 . 1949 . 1 1 8 GLY CA C 17.898 6.560 -9.306 . . . 1.0 . . . . . . . . . . . . A . 8 GLY CA . . . . . . . . . c30342_6aza 1 . 8 . 1950 . 1 1 8 GLY H H 16.842 4.726 -9.220 . . . 1.0 . . . . . . . . . . . . A . 8 GLY H . . . . . . . . . c30342_6aza 1 . 8 . 1951 . 1 1 8 GLY HA2 H 18.687 6.126 -8.712 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA2 . . . . . . . . . c30342_6aza 1 . 8 . 1952 . 1 1 8 GLY HA3 H 18.336 7.069 -10.152 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA3 . . . . . . . . . c30342_6aza 1 . 8 . 1953 . 1 1 8 GLY N N 17.038 5.497 -9.794 . . . 1.0 . . . . . . . . . . . . A . 8 GLY N . . . . . . . . . c30342_6aza 1 . 8 . 1954 . 1 1 8 GLY O O 17.731 8.218 -7.592 . . . 1.0 . . . . . . . . . . . . A . 8 GLY O . . . . . . . . . c30342_6aza 1 . 8 . 1955 . 1 1 9 ARG C C 14.015 7.914 -7.099 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c30342_6aza 1 . 8 . 1956 . 1 1 9 ARG CA C 15.021 8.650 -7.979 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c30342_6aza 1 . 8 . 1957 . 1 1 9 ARG CB C 14.285 9.582 -8.943 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c30342_6aza 1 . 8 . 1958 . 1 1 9 ARG CD C 14.547 11.267 -10.790 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c30342_6aza 1 . 8 . 1959 . 1 1 9 ARG CG C 15.170 10.663 -9.541 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c30342_6aza 1 . 8 . 1960 . 1 1 9 ARG CZ C 16.218 12.925 -11.497 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c30342_6aza 1 . 8 . 1961 . 1 1 9 ARG H H 15.443 7.165 -9.425 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c30342_6aza 1 . 8 . 1962 . 1 1 9 ARG HA H 15.670 9.240 -7.348 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c30342_6aza 1 . 8 . 1963 . 1 1 9 ARG HB2 H 13.876 8.994 -9.752 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c30342_6aza 1 . 8 . 1964 . 1 1 9 ARG HB3 H 13.476 10.062 -8.413 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c30342_6aza 1 . 8 . 1965 . 1 1 9 ARG HD2 H 13.977 10.503 -11.297 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c30342_6aza 1 . 8 . 1966 . 1 1 9 ARG HD3 H 13.887 12.069 -10.495 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c30342_6aza 1 . 8 . 1967 . 1 1 9 ARG HE H 15.746 11.276 -12.516 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c30342_6aza 1 . 8 . 1968 . 1 1 9 ARG HG2 H 15.311 11.445 -8.810 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c30342_6aza 1 . 8 . 1969 . 1 1 9 ARG HG3 H 16.125 10.230 -9.799 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c30342_6aza 1 . 8 . 1970 . 1 1 9 ARG HH11 H 15.302 13.336 -9.745 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c30342_6aza 1 . 8 . 1971 . 1 1 9 ARG HH12 H 16.482 14.497 -10.254 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c30342_6aza 1 . 8 . 1972 . 1 1 9 ARG HH21 H 17.302 12.797 -13.198 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c30342_6aza 1 . 8 . 1973 . 1 1 9 ARG HH22 H 17.619 14.190 -12.220 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c30342_6aza 1 . 8 . 1974 . 1 1 9 ARG N N 15.851 7.710 -8.720 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c30342_6aza 1 . 8 . 1975 . 1 1 9 ARG NE N 15.554 11.794 -11.706 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c30342_6aza 1 . 8 . 1976 . 1 1 9 ARG NH1 N 15.979 13.646 -10.409 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c30342_6aza 1 . 8 . 1977 . 1 1 9 ARG NH2 N 17.121 13.339 -12.378 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c30342_6aza 1 . 8 . 1978 . 1 1 9 ARG O O 13.120 7.231 -7.598 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c30342_6aza 1 . 8 . 1979 . 1 1 10 CYS C C 13.044 8.288 -3.614 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30342_6aza 1 . 8 . 1980 . 1 1 10 CYS CA C 13.276 7.404 -4.836 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30342_6aza 1 . 8 . 1981 . 1 1 10 CYS CB C 13.854 6.057 -4.403 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30342_6aza 1 . 8 . 1982 . 1 1 10 CYS H H 14.902 8.614 -5.449 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30342_6aza 1 . 8 . 1983 . 1 1 10 CYS HA H 12.330 7.238 -5.330 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30342_6aza 1 . 8 . 1984 . 1 1 10 CYS HB2 H 14.468 5.663 -5.201 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30342_6aza 1 . 8 . 1985 . 1 1 10 CYS HB3 H 14.467 6.203 -3.524 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30342_6aza 1 . 8 . 1986 . 1 1 10 CYS N N 14.169 8.057 -5.786 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30342_6aza 1 . 8 . 1987 . 1 1 10 CYS O O 13.949 8.500 -2.807 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30342_6aza 1 . 8 . 1988 . 1 1 10 CYS SG S 12.597 4.800 -4.002 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30342_6aza 1 . 8 . 1989 . 1 1 11 ARG C C 9.985 9.556 -2.039 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . c30342_6aza 1 . 8 . 1990 . 1 1 11 ARG CA C 11.473 9.662 -2.361 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . c30342_6aza 1 . 8 . 1991 . 1 1 11 ARG CB C 11.837 11.115 -2.672 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . c30342_6aza 1 . 8 . 1992 . 1 1 11 ARG CD C 13.336 12.894 -1.721 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . c30342_6aza 1 . 8 . 1993 . 1 1 11 ARG CG C 13.260 11.483 -2.282 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . c30342_6aza 1 . 8 . 1994 . 1 1 11 ARG CZ C 13.349 15.184 -2.615 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . c30342_6aza 1 . 8 . 1995 . 1 1 11 ARG H H 11.144 8.595 -4.160 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . c30342_6aza 1 . 8 . 1996 . 1 1 11 ARG HA H 12.039 9.334 -1.502 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . c30342_6aza 1 . 8 . 1997 . 1 1 11 ARG HB2 H 11.723 11.283 -3.732 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . c30342_6aza 1 . 8 . 1998 . 1 1 11 ARG HB3 H 11.161 11.764 -2.138 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . c30342_6aza 1 . 8 . 1999 . 1 1 11 ARG HD2 H 12.399 13.126 -1.237 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . c30342_6aza 1 . 8 . 2000 . 1 1 11 ARG HD3 H 14.135 12.936 -0.995 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . c30342_6aza 1 . 8 . 2001 . 1 1 11 ARG HE H 13.954 13.566 -3.614 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . c30342_6aza 1 . 8 . 2002 . 1 1 11 ARG HG2 H 13.609 10.789 -1.531 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . c30342_6aza 1 . 8 . 2003 . 1 1 11 ARG HG3 H 13.890 11.418 -3.156 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . c30342_6aza 1 . 8 . 2004 . 1 1 11 ARG HH11 H 12.663 15.014 -0.723 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . c30342_6aza 1 . 8 . 2005 . 1 1 11 ARG HH12 H 12.678 16.624 -1.366 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . c30342_6aza 1 . 8 . 2006 . 1 1 11 ARG HH21 H 13.978 15.679 -4.470 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . c30342_6aza 1 . 8 . 2007 . 1 1 11 ARG HH22 H 13.426 17.000 -3.498 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . c30342_6aza 1 . 8 . 2008 . 1 1 11 ARG N N 11.825 8.801 -3.484 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . c30342_6aza 1 . 8 . 2009 . 1 1 11 ARG NE N 13.589 13.885 -2.762 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . c30342_6aza 1 . 8 . 2010 . 1 1 11 ARG NH1 N 12.856 15.644 -1.475 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . c30342_6aza 1 . 8 . 2011 . 1 1 11 ARG NH2 N 13.606 16.023 -3.610 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . c30342_6aza 1 . 8 . 2012 . 1 1 11 ARG O O 9.177 9.122 -2.861 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . c30342_6aza 1 . 8 . 2013 . 1 1 12 PRO C C 7.348 10.949 -1.073 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . c30342_6aza 1 . 8 . 2014 . 1 1 12 PRO CA C 8.221 9.924 -0.359 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . c30342_6aza 1 . 8 . 2015 . 1 1 12 PRO CB C 8.329 10.257 1.131 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . c30342_6aza 1 . 8 . 2016 . 1 1 12 PRO CD C 10.523 10.493 0.212 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . c30342_6aza 1 . 8 . 2017 . 1 1 12 PRO CG C 9.588 11.043 1.253 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . c30342_6aza 1 . 8 . 2018 . 1 1 12 PRO HA H 7.792 8.941 -0.480 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . c30342_6aza 1 . 8 . 2019 . 1 1 12 PRO HB2 H 7.469 10.838 1.435 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . c30342_6aza 1 . 8 . 2020 . 1 1 12 PRO HB3 H 8.375 9.344 1.704 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . c30342_6aza 1 . 8 . 2021 . 1 1 12 PRO HD2 H 11.145 11.279 -0.190 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . c30342_6aza 1 . 8 . 2022 . 1 1 12 PRO HD3 H 11.131 9.704 0.631 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . c30342_6aza 1 . 8 . 2023 . 1 1 12 PRO HG2 H 9.389 12.088 1.064 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . c30342_6aza 1 . 8 . 2024 . 1 1 12 PRO HG3 H 10.007 10.913 2.239 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . c30342_6aza 1 . 8 . 2025 . 1 1 12 PRO N N 9.613 9.962 -0.817 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . c30342_6aza 1 . 8 . 2026 . 1 1 12 PRO O O 7.788 12.062 -1.364 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . c30342_6aza 1 . 8 . 2027 . 1 1 13 LYS C C 4.714 12.579 -1.107 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c30342_6aza 1 . 8 . 2028 . 1 1 13 LYS CA C 5.168 11.456 -2.033 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c30342_6aza 1 . 8 . 2029 . 1 1 13 LYS CB C 3.954 10.665 -2.528 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c30342_6aza 1 . 8 . 2030 . 1 1 13 LYS CD C 2.662 10.172 -4.625 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c30342_6aza 1 . 8 . 2031 . 1 1 13 LYS CE C 2.022 8.820 -4.356 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c30342_6aza 1 . 8 . 2032 . 1 1 13 LYS CG C 4.041 10.271 -3.993 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c30342_6aza 1 . 8 . 2033 . 1 1 13 LYS H H 5.812 9.669 -1.098 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c30342_6aza 1 . 8 . 2034 . 1 1 13 LYS HA H 5.676 11.888 -2.882 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c30342_6aza 1 . 8 . 2035 . 1 1 13 LYS HB2 H 3.862 9.764 -1.939 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c30342_6aza 1 . 8 . 2036 . 1 1 13 LYS HB3 H 3.067 11.267 -2.390 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c30342_6aza 1 . 8 . 2037 . 1 1 13 LYS HD2 H 2.031 10.945 -4.214 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c30342_6aza 1 . 8 . 2038 . 1 1 13 LYS HD3 H 2.757 10.311 -5.693 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c30342_6aza 1 . 8 . 2039 . 1 1 13 LYS HE2 H 2.081 8.612 -3.299 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c30342_6aza 1 . 8 . 2040 . 1 1 13 LYS HE3 H 0.986 8.860 -4.657 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c30342_6aza 1 . 8 . 2041 . 1 1 13 LYS HG2 H 4.616 11.015 -4.523 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c30342_6aza 1 . 8 . 2042 . 1 1 13 LYS HG3 H 4.532 9.312 -4.069 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c30342_6aza 1 . 8 . 2043 . 1 1 13 LYS HZ1 H 2.122 7.437 -5.918 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 8 . 2044 . 1 1 13 LYS HZ2 H 2.844 6.903 -4.485 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 8 . 2045 . 1 1 13 LYS HZ3 H 3.627 8.050 -5.450 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 8 . 2046 . 1 1 13 LYS N N 6.106 10.569 -1.354 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c30342_6aza 1 . 8 . 2047 . 1 1 13 LYS NZ N 2.702 7.726 -5.105 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c30342_6aza 1 . 8 . 2048 . 1 1 13 LYS O O 4.776 12.469 0.117 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c30342_6aza 1 . 8 . 2049 . 1 1 14 PRO C C 2.460 14.569 -0.216 . . . 1.0 . . . . . . . . . . . . A . 14 PRO C . . . . . . . . . c30342_6aza 1 . 8 . 2050 . 1 1 14 PRO CA C 3.768 14.849 -0.948 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CA . . . . . . . . . c30342_6aza 1 . 8 . 2051 . 1 1 14 PRO CB C 3.559 15.910 -2.031 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CB . . . . . . . . . c30342_6aza 1 . 8 . 2052 . 1 1 14 PRO CD C 4.141 13.885 -3.158 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CD . . . . . . . . . c30342_6aza 1 . 8 . 2053 . 1 1 14 PRO CG C 3.317 15.136 -3.280 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CG . . . . . . . . . c30342_6aza 1 . 8 . 2054 . 1 1 14 PRO HA H 4.508 15.193 -0.242 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HA . . . . . . . . . c30342_6aza 1 . 8 . 2055 . 1 1 14 PRO HB2 H 2.708 16.526 -1.776 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB2 . . . . . . . . . c30342_6aza 1 . 8 . 2056 . 1 1 14 PRO HB3 H 4.442 16.526 -2.113 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB3 . . . . . . . . . c30342_6aza 1 . 8 . 2057 . 1 1 14 PRO HD2 H 3.636 13.052 -3.626 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD2 . . . . . . . . . c30342_6aza 1 . 8 . 2058 . 1 1 14 PRO HD3 H 5.117 14.032 -3.596 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD3 . . . . . . . . . c30342_6aza 1 . 8 . 2059 . 1 1 14 PRO HG2 H 2.269 14.888 -3.362 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG2 . . . . . . . . . c30342_6aza 1 . 8 . 2060 . 1 1 14 PRO HG3 H 3.635 15.712 -4.137 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG3 . . . . . . . . . c30342_6aza 1 . 8 . 2061 . 1 1 14 PRO N N 4.244 13.685 -1.703 . . . 1.0 . . . . . . . . . . . . A . 14 PRO N . . . . . . . . . c30342_6aza 1 . 8 . 2062 . 1 1 14 PRO O O 2.272 14.995 0.922 . . . 1.0 . . . . . . . . . . . . A . 14 PRO O . . . . . . . . . c30342_6aza 1 . 8 . 2063 . 1 1 15 ASN C C 0.337 12.180 0.448 . . . 1.0 . . . . . . . . . . . . A . 15 ASN C . . . . . . . . . c30342_6aza 1 . 8 . 2064 . 1 1 15 ASN CA C 0.268 13.514 -0.289 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CA . . . . . . . . . c30342_6aza 1 . 8 . 2065 . 1 1 15 ASN CB C -0.811 13.456 -1.373 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CB . . . . . . . . . c30342_6aza 1 . 8 . 2066 . 1 1 15 ASN CG C -2.169 13.069 -0.817 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CG . . . . . . . . . c30342_6aza 1 . 8 . 2067 . 1 1 15 ASN H H 1.766 13.539 -1.784 . . . 1.0 . . . . . . . . . . . . A . 15 ASN H . . . . . . . . . c30342_6aza 1 . 8 . 2068 . 1 1 15 ASN HA H 0.013 14.290 0.417 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HA . . . . . . . . . c30342_6aza 1 . 8 . 2069 . 1 1 15 ASN HB2 H -0.898 14.427 -1.838 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB2 . . . . . . . . . c30342_6aza 1 . 8 . 2070 . 1 1 15 ASN HB3 H -0.527 12.729 -2.117 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB3 . . . . . . . . . c30342_6aza 1 . 8 . 2071 . 1 1 15 ASN HD21 H -2.726 12.376 -2.596 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD21 . . . . . . . . . c30342_6aza 1 . 8 . 2072 . 1 1 15 ASN HD22 H -3.903 12.248 -1.337 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD22 . . . . . . . . . c30342_6aza 1 . 8 . 2073 . 1 1 15 ASN N N 1.558 13.851 -0.878 . . . 1.0 . . . . . . . . . . . . A . 15 ASN N . . . . . . . . . c30342_6aza 1 . 8 . 2074 . 1 1 15 ASN ND2 N -3.019 12.508 -1.669 . . . 1.0 . . . . . . . . . . . . A . 15 ASN ND2 . . . . . . . . . c30342_6aza 1 . 8 . 2075 . 1 1 15 ASN O O -0.401 11.950 1.407 . . . 1.0 . . . . . . . . . . . . A . 15 ASN O . . . . . . . . . c30342_6aza 1 . 8 . 2076 . 1 1 15 ASN OD1 O -2.448 13.271 0.364 . . . 1.0 . . . . . . . . . . . . A . 15 ASN OD1 . . . . . . . . . c30342_6aza 1 . 8 . 2077 . 1 1 16 CYS C C 2.763 9.877 1.275 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c30342_6aza 1 . 8 . 2078 . 1 1 16 CYS CA C 1.394 9.995 0.610 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c30342_6aza 1 . 8 . 2079 . 1 1 16 CYS CB C 1.227 8.891 -0.437 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c30342_6aza 1 . 8 . 2080 . 1 1 16 CYS H H 1.787 11.547 -0.774 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c30342_6aza 1 . 8 . 2081 . 1 1 16 CYS HA H 0.630 9.882 1.364 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c30342_6aza 1 . 8 . 2082 . 1 1 16 CYS HB2 H 0.279 9.024 -0.939 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c30342_6aza 1 . 8 . 2083 . 1 1 16 CYS HB3 H 2.025 8.968 -1.159 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c30342_6aza 1 . 8 . 2084 . 1 1 16 CYS N N 1.227 11.306 -0.005 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c30342_6aza 1 . 8 . 2085 . 1 1 16 CYS O O 3.733 9.448 0.652 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c30342_6aza 1 . 8 . 2086 . 1 1 16 CYS SG S 1.257 7.204 0.249 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c30342_6aza 1 . 8 . 2087 . 1 1 17 GLY C C 4.100 9.065 4.295 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c30342_6aza 1 . 8 . 2088 . 1 1 17 GLY CA C 4.084 10.186 3.276 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c30342_6aza 1 . 8 . 2089 . 1 1 17 GLY H H 2.025 10.591 2.993 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c30342_6aza 1 . 8 . 2090 . 1 1 17 GLY HA2 H 4.889 10.031 2.572 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c30342_6aza 1 . 8 . 2091 . 1 1 17 GLY HA3 H 4.243 11.124 3.788 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c30342_6aza 1 . 8 . 2092 . 1 1 17 GLY N N 2.831 10.258 2.547 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c30342_6aza 1 . 8 . 2093 . 1 1 17 GLY O O 4.254 7.897 3.939 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c30342_6aza 1 . 8 . 2094 . 1 1 18 NH2 HN1 H 3.821 10.367 5.788 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . c30342_6aza 1 . 8 . 2095 . 1 1 18 NH2 HN2 H 3.937 8.743 6.302 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . c30342_6aza 1 . 8 . 2096 . 1 1 18 NH2 N N 3.940 9.419 5.566 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . c30342_6aza 1 . 9 . 2097 . 1 1 1 ARG C C 2.037 1.071 -0.830 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30342_6aza 1 . 9 . 2098 . 1 1 1 ARG CA C 2.508 -0.069 0.067 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30342_6aza 1 . 9 . 2099 . 1 1 1 ARG CB C 2.901 -1.275 -0.788 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30342_6aza 1 . 9 . 2100 . 1 1 1 ARG CD C 4.445 -2.187 0.975 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30342_6aza 1 . 9 . 2101 . 1 1 1 ARG CG C 3.296 -2.496 0.028 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30342_6aza 1 . 9 . 2102 . 1 1 1 ARG CZ C 3.352 -2.378 3.169 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30342_6aza 1 . 9 . 2103 . 1 1 1 ARG H1 H 0.550 -0.555 0.707 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30342_6aza 1 . 9 . 2104 . 1 1 1 ARG HA H 3.371 0.263 0.627 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30342_6aza 1 . 9 . 2105 . 1 1 1 ARG HB2 H 2.066 -1.545 -1.417 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30342_6aza 1 . 9 . 2106 . 1 1 1 ARG HB3 H 3.738 -1.001 -1.412 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30342_6aza 1 . 9 . 2107 . 1 1 1 ARG HD2 H 4.995 -3.096 1.161 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30342_6aza 1 . 9 . 2108 . 1 1 1 ARG HD3 H 5.095 -1.461 0.506 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30342_6aza 1 . 9 . 2109 . 1 1 1 ARG HE H 4.131 -0.698 2.425 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30342_6aza 1 . 9 . 2110 . 1 1 1 ARG HG2 H 2.444 -2.821 0.607 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30342_6aza 1 . 9 . 2111 . 1 1 1 ARG HG3 H 3.599 -3.285 -0.646 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30342_6aza 1 . 9 . 2112 . 1 1 1 ARG HH11 H 3.427 -4.093 2.104 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30342_6aza 1 . 9 . 2113 . 1 1 1 ARG HH12 H 2.659 -4.214 3.652 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30342_6aza 1 . 9 . 2114 . 1 1 1 ARG HH21 H 3.121 -0.845 4.466 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30342_6aza 1 . 9 . 2115 . 1 1 1 ARG HH22 H 2.485 -2.365 4.995 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30342_6aza 1 . 9 . 2116 . 1 1 1 ARG N N 1.471 -0.441 1.022 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30342_6aza 1 . 9 . 2117 . 1 1 1 ARG NE N 3.974 -1.649 2.249 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30342_6aza 1 . 9 . 2118 . 1 1 1 ARG NH1 N 3.126 -3.666 2.958 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30342_6aza 1 . 9 . 2119 . 1 1 1 ARG NH2 N 2.954 -1.816 4.304 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30342_6aza 1 . 9 . 2120 . 1 1 1 ARG O O 0.943 1.021 -1.393 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30342_6aza 1 . 9 . 2121 . 1 1 2 CYS C C 3.159 3.123 -3.174 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c30342_6aza 1 . 9 . 2122 . 1 1 2 CYS CA C 2.537 3.253 -1.786 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c30342_6aza 1 . 9 . 2123 . 1 1 2 CYS CB C 3.019 4.542 -1.118 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c30342_6aza 1 . 9 . 2124 . 1 1 2 CYS H H 3.727 2.082 -0.484 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c30342_6aza 1 . 9 . 2125 . 1 1 2 CYS HA H 1.464 3.291 -1.889 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c30342_6aza 1 . 9 . 2126 . 1 1 2 CYS HB2 H 3.989 4.368 -0.675 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c30342_6aza 1 . 9 . 2127 . 1 1 2 CYS HB3 H 3.104 5.317 -1.865 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c30342_6aza 1 . 9 . 2128 . 1 1 2 CYS N N 2.868 2.100 -0.959 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c30342_6aza 1 . 9 . 2129 . 1 1 2 CYS O O 3.832 2.138 -3.476 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c30342_6aza 1 . 9 . 2130 . 1 1 2 CYS SG S 1.915 5.156 0.196 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c30342_6aza 1 . 9 . 2131 . 1 1 3 LYS C C 4.973 3.874 -5.358 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . c30342_6aza 1 . 9 . 2132 . 1 1 3 LYS CA C 3.469 4.128 -5.370 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . c30342_6aza 1 . 9 . 2133 . 1 1 3 LYS CB C 3.171 5.462 -6.057 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . c30342_6aza 1 . 9 . 2134 . 1 1 3 LYS CD C 1.836 6.394 -7.970 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . c30342_6aza 1 . 9 . 2135 . 1 1 3 LYS CE C 0.852 5.856 -8.998 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . c30342_6aza 1 . 9 . 2136 . 1 1 3 LYS CG C 2.820 5.323 -7.529 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . c30342_6aza 1 . 9 . 2137 . 1 1 3 LYS H H 2.387 4.887 -3.716 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . c30342_6aza 1 . 9 . 2138 . 1 1 3 LYS HA H 2.987 3.334 -5.919 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . c30342_6aza 1 . 9 . 2139 . 1 1 3 LYS HB2 H 2.342 5.936 -5.553 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . c30342_6aza 1 . 9 . 2140 . 1 1 3 LYS HB3 H 4.042 6.098 -5.975 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . c30342_6aza 1 . 9 . 2141 . 1 1 3 LYS HD2 H 1.285 6.742 -7.110 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . c30342_6aza 1 . 9 . 2142 . 1 1 3 LYS HD3 H 2.386 7.217 -8.405 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . c30342_6aza 1 . 9 . 2143 . 1 1 3 LYS HE2 H 0.597 6.651 -9.682 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . c30342_6aza 1 . 9 . 2144 . 1 1 3 LYS HE3 H 1.325 5.051 -9.542 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . c30342_6aza 1 . 9 . 2145 . 1 1 3 LYS HG2 H 3.723 5.416 -8.116 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . c30342_6aza 1 . 9 . 2146 . 1 1 3 LYS HG3 H 2.379 4.351 -7.693 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . c30342_6aza 1 . 9 . 2147 . 1 1 3 LYS HZ1 H -0.407 4.305 -8.390 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 9 . 2148 . 1 1 3 LYS HZ2 H -1.227 5.707 -8.864 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 9 . 2149 . 1 1 3 LYS HZ3 H -0.438 5.653 -7.368 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 9 . 2150 . 1 1 3 LYS N N 2.931 4.126 -4.014 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . c30342_6aza 1 . 9 . 2151 . 1 1 3 LYS NZ N -0.393 5.345 -8.361 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . c30342_6aza 1 . 9 . 2152 . 1 1 3 LYS O O 5.674 4.275 -4.428 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . c30342_6aza 1 . 9 . 2153 . 1 1 4 THR C C 7.658 4.076 -7.092 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30342_6aza 1 . 9 . 2154 . 1 1 4 THR CA C 6.885 2.900 -6.506 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30342_6aza 1 . 9 . 2155 . 1 1 4 THR CB C 7.125 1.655 -7.383 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30342_6aza 1 . 9 . 2156 . 1 1 4 THR CG2 C 6.666 1.902 -8.810 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30342_6aza 1 . 9 . 2157 . 1 1 4 THR H H 4.855 2.913 -7.106 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30342_6aza 1 . 9 . 2158 . 1 1 4 THR HA H 7.259 2.693 -5.515 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30342_6aza 1 . 9 . 2159 . 1 1 4 THR HB H 6.556 0.831 -6.974 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30342_6aza 1 . 9 . 2160 . 1 1 4 THR HG1 H 8.617 0.394 -7.112 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30342_6aza 1 . 9 . 2161 . 1 1 4 THR HG21 H 7.443 2.416 -9.356 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30342_6aza 1 . 9 . 2162 . 1 1 4 THR HG22 H 5.771 2.507 -8.802 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30342_6aza 1 . 9 . 2163 . 1 1 4 THR HG23 H 6.456 0.957 -9.290 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30342_6aza 1 . 9 . 2164 . 1 1 4 THR N N 5.464 3.207 -6.397 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30342_6aza 1 . 9 . 2165 . 1 1 4 THR O O 7.097 4.907 -7.806 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30342_6aza 1 . 9 . 2166 . 1 1 4 THR OG1 O 8.515 1.313 -7.375 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30342_6aza 1 . 9 . 2167 . 1 1 5 CYS C C 10.675 4.726 -8.433 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30342_6aza 1 . 9 . 2168 . 1 1 5 CYS CA C 9.800 5.214 -7.281 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30342_6aza 1 . 9 . 2169 . 1 1 5 CYS CB C 10.679 5.758 -6.153 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30342_6aza 1 . 9 . 2170 . 1 1 5 CYS H H 9.340 3.446 -6.212 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30342_6aza 1 . 9 . 2171 . 1 1 5 CYS HA H 9.161 6.005 -7.642 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30342_6aza 1 . 9 . 2172 . 1 1 5 CYS HB2 H 11.328 6.526 -6.551 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30342_6aza 1 . 9 . 2173 . 1 1 5 CYS HB3 H 10.047 6.188 -5.391 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30342_6aza 1 . 9 . 2174 . 1 1 5 CYS N N 8.950 4.140 -6.785 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30342_6aza 1 . 9 . 2175 . 1 1 5 CYS O O 10.888 3.526 -8.600 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30342_6aza 1 . 9 . 2176 . 1 1 5 CYS SG S 11.734 4.503 -5.359 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30342_6aza 1 . 9 . 2177 . 1 1 6 SER C C 13.338 4.700 -9.897 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . c30342_6aza 1 . 9 . 2178 . 1 1 6 SER CA C 12.030 5.336 -10.362 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . c30342_6aza 1 . 9 . 2179 . 1 1 6 SER CB C 12.325 6.587 -11.189 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . c30342_6aza 1 . 9 . 2180 . 1 1 6 SER H H 10.976 6.608 -9.041 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . c30342_6aza 1 . 9 . 2181 . 1 1 6 SER HA H 11.498 4.626 -10.977 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . c30342_6aza 1 . 9 . 2182 . 1 1 6 SER HB2 H 11.432 7.191 -11.256 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . c30342_6aza 1 . 9 . 2183 . 1 1 6 SER HB3 H 13.109 7.157 -10.710 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . c30342_6aza 1 . 9 . 2184 . 1 1 6 SER HG H 13.079 7.030 -12.942 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . c30342_6aza 1 . 9 . 2185 . 1 1 6 SER N N 11.181 5.667 -9.224 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . c30342_6aza 1 . 9 . 2186 . 1 1 6 SER O O 13.650 4.695 -8.707 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . c30342_6aza 1 . 9 . 2187 . 1 1 6 SER OG O 12.745 6.247 -12.499 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . c30342_6aza 1 . 9 . 2188 . 1 1 7 LYS C C 16.444 4.569 -10.236 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30342_6aza 1 . 9 . 2189 . 1 1 7 LYS CA C 15.371 3.526 -10.537 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30342_6aza 1 . 9 . 2190 . 1 1 7 LYS CB C 15.819 2.642 -11.702 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30342_6aza 1 . 9 . 2191 . 1 1 7 LYS CD C 15.130 0.687 -13.122 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30342_6aza 1 . 9 . 2192 . 1 1 7 LYS CE C 14.109 1.386 -14.007 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30342_6aza 1 . 9 . 2193 . 1 1 7 LYS CG C 15.152 1.278 -11.722 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30342_6aza 1 . 9 . 2194 . 1 1 7 LYS H H 13.795 4.198 -11.778 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30342_6aza 1 . 9 . 2195 . 1 1 7 LYS HA H 15.232 2.910 -9.662 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30342_6aza 1 . 9 . 2196 . 1 1 7 LYS HB2 H 15.589 3.145 -12.629 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30342_6aza 1 . 9 . 2197 . 1 1 7 LYS HB3 H 16.888 2.495 -11.638 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30342_6aza 1 . 9 . 2198 . 1 1 7 LYS HD2 H 16.109 0.798 -13.565 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30342_6aza 1 . 9 . 2199 . 1 1 7 LYS HD3 H 14.878 -0.363 -13.056 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30342_6aza 1 . 9 . 2200 . 1 1 7 LYS HE2 H 13.244 1.630 -13.411 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30342_6aza 1 . 9 . 2201 . 1 1 7 LYS HE3 H 14.549 2.294 -14.392 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30342_6aza 1 . 9 . 2202 . 1 1 7 LYS HG2 H 15.695 0.610 -11.070 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30342_6aza 1 . 9 . 2203 . 1 1 7 LYS HG3 H 14.135 1.380 -11.369 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30342_6aza 1 . 9 . 2204 . 1 1 7 LYS HZ1 H 14.459 0.446 -15.838 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 9 . 2205 . 1 1 7 LYS HZ2 H 12.859 0.947 -15.621 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 9 . 2206 . 1 1 7 LYS HZ3 H 13.433 -0.421 -14.809 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 9 . 2207 . 1 1 7 LYS N N 14.097 4.164 -10.846 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30342_6aza 1 . 9 . 2208 . 1 1 7 LYS NZ N 13.685 0.529 -15.148 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30342_6aza 1 . 9 . 2209 . 1 1 7 LYS O O 16.806 5.367 -11.100 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30342_6aza 1 . 9 . 2210 . 1 1 8 GLY C C 17.397 6.747 -7.962 . . . 1.0 . . . . . . . . . . . . A . 8 GLY C . . . . . . . . . c30342_6aza 1 . 9 . 2211 . 1 1 8 GLY CA C 17.974 5.505 -8.615 . . . 1.0 . . . . . . . . . . . . A . 8 GLY CA . . . . . . . . . c30342_6aza 1 . 9 . 2212 . 1 1 8 GLY H H 16.620 3.898 -8.359 . . . 1.0 . . . . . . . . . . . . A . 8 GLY H . . . . . . . . . c30342_6aza 1 . 9 . 2213 . 1 1 8 GLY HA2 H 18.647 5.026 -7.921 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA2 . . . . . . . . . c30342_6aza 1 . 9 . 2214 . 1 1 8 GLY HA3 H 18.529 5.800 -9.494 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA3 . . . . . . . . . c30342_6aza 1 . 9 . 2215 . 1 1 8 GLY N N 16.948 4.557 -9.006 . . . 1.0 . . . . . . . . . . . . A . 8 GLY N . . . . . . . . . c30342_6aza 1 . 9 . 2216 . 1 1 8 GLY O O 18.060 7.395 -7.153 . . . 1.0 . . . . . . . . . . . . A . 8 GLY O . . . . . . . . . c30342_6aza 1 . 9 . 2217 . 1 1 9 ARG C C 14.293 7.845 -6.911 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c30342_6aza 1 . 9 . 2218 . 1 1 9 ARG CA C 15.495 8.251 -7.759 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c30342_6aza 1 . 9 . 2219 . 1 1 9 ARG CB C 15.047 9.188 -8.881 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c30342_6aza 1 . 9 . 2220 . 1 1 9 ARG CD C 15.788 10.643 -10.792 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c30342_6aza 1 . 9 . 2221 . 1 1 9 ARG CG C 16.171 10.039 -9.451 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c30342_6aza 1 . 9 . 2222 . 1 1 9 ARG CZ C 17.901 10.705 -12.047 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c30342_6aza 1 . 9 . 2223 . 1 1 9 ARG H H 15.682 6.521 -8.964 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c30342_6aza 1 . 9 . 2224 . 1 1 9 ARG HA H 16.205 8.768 -7.132 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c30342_6aza 1 . 9 . 2225 . 1 1 9 ARG HB2 H 14.632 8.597 -9.685 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c30342_6aza 1 . 9 . 2226 . 1 1 9 ARG HB3 H 14.283 9.848 -8.499 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c30342_6aza 1 . 9 . 2227 . 1 1 9 ARG HD2 H 15.451 9.852 -11.445 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c30342_6aza 1 . 9 . 2228 . 1 1 9 ARG HD3 H 14.986 11.349 -10.638 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c30342_6aza 1 . 9 . 2229 . 1 1 9 ARG HE H 16.926 12.312 -11.376 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c30342_6aza 1 . 9 . 2230 . 1 1 9 ARG HG2 H 16.391 10.838 -8.759 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c30342_6aza 1 . 9 . 2231 . 1 1 9 ARG HG3 H 17.047 9.421 -9.580 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c30342_6aza 1 . 9 . 2232 . 1 1 9 ARG HH11 H 17.164 8.854 -11.714 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c30342_6aza 1 . 9 . 2233 . 1 1 9 ARG HH12 H 18.653 8.911 -12.597 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c30342_6aza 1 . 9 . 2234 . 1 1 9 ARG HH21 H 18.886 12.400 -12.540 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c30342_6aza 1 . 9 . 2235 . 1 1 9 ARG HH22 H 19.632 10.929 -13.066 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c30342_6aza 1 . 9 . 2236 . 1 1 9 ARG N N 16.160 7.078 -8.314 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c30342_6aza 1 . 9 . 2237 . 1 1 9 ARG NE N 16.910 11.333 -11.423 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c30342_6aza 1 . 9 . 2238 . 1 1 9 ARG NH1 N 17.907 9.382 -12.126 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c30342_6aza 1 . 9 . 2239 . 1 1 9 ARG NH2 N 18.887 11.402 -12.596 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c30342_6aza 1 . 9 . 2240 . 1 1 9 ARG O O 13.303 7.327 -7.426 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c30342_6aza 1 . 9 . 2241 . 1 1 10 CYS C C 13.117 8.841 -3.646 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30342_6aza 1 . 9 . 2242 . 1 1 10 CYS CA C 13.312 7.741 -4.686 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30342_6aza 1 . 9 . 2243 . 1 1 10 CYS CB C 13.610 6.412 -3.990 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30342_6aza 1 . 9 . 2244 . 1 1 10 CYS H H 15.205 8.499 -5.254 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30342_6aza 1 . 9 . 2245 . 1 1 10 CYS HA H 12.403 7.642 -5.259 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30342_6aza 1 . 9 . 2246 . 1 1 10 CYS HB2 H 14.204 5.796 -4.648 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30342_6aza 1 . 9 . 2247 . 1 1 10 CYS HB3 H 14.168 6.605 -3.085 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30342_6aza 1 . 9 . 2248 . 1 1 10 CYS N N 14.390 8.083 -5.606 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30342_6aza 1 . 9 . 2249 . 1 1 10 CYS O O 14.041 9.179 -2.903 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30342_6aza 1 . 9 . 2250 . 1 1 10 CYS SG S 12.124 5.462 -3.534 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30342_6aza 1 . 9 . 2251 . 1 1 11 ARG C C 10.202 10.259 -2.057 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . c30342_6aza 1 . 9 . 2252 . 1 1 11 ARG CA C 11.595 10.456 -2.648 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . c30342_6aza 1 . 9 . 2253 . 1 1 11 ARG CB C 11.682 11.822 -3.331 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . c30342_6aza 1 . 9 . 2254 . 1 1 11 ARG CD C 13.086 13.826 -3.903 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . c30342_6aza 1 . 9 . 2255 . 1 1 11 ARG CG C 13.071 12.437 -3.285 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . c30342_6aza 1 . 9 . 2256 . 1 1 11 ARG CZ C 12.458 16.124 -3.291 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . c30342_6aza 1 . 9 . 2257 . 1 1 11 ARG H H 11.216 9.082 -4.214 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . c30342_6aza 1 . 9 . 2258 . 1 1 11 ARG HA H 12.320 10.415 -1.850 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . c30342_6aza 1 . 9 . 2259 . 1 1 11 ARG HB2 H 11.394 11.714 -4.366 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . c30342_6aza 1 . 9 . 2260 . 1 1 11 ARG HB3 H 10.996 12.499 -2.844 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . c30342_6aza 1 . 9 . 2261 . 1 1 11 ARG HD2 H 14.110 14.111 -4.094 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . c30342_6aza 1 . 9 . 2262 . 1 1 11 ARG HD3 H 12.542 13.796 -4.836 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . c30342_6aza 1 . 9 . 2263 . 1 1 11 ARG HE H 12.048 14.502 -2.204 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . c30342_6aza 1 . 9 . 2264 . 1 1 11 ARG HG2 H 13.389 12.510 -2.256 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . c30342_6aza 1 . 9 . 2265 . 1 1 11 ARG HG3 H 13.753 11.803 -3.831 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . c30342_6aza 1 . 9 . 2266 . 1 1 11 ARG HH11 H 13.458 15.952 -5.038 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . c30342_6aza 1 . 9 . 2267 . 1 1 11 ARG HH12 H 13.009 17.567 -4.595 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . c30342_6aza 1 . 9 . 2268 . 1 1 11 ARG HH21 H 11.452 16.622 -1.610 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . c30342_6aza 1 . 9 . 2269 . 1 1 11 ARG HH22 H 11.870 17.946 -2.645 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . c30342_6aza 1 . 9 . 2270 . 1 1 11 ARG N N 11.910 9.394 -3.597 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . c30342_6aza 1 . 9 . 2271 . 1 1 11 ARG NE N 12.471 14.822 -3.029 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . c30342_6aza 1 . 9 . 2272 . 1 1 11 ARG NH1 N 13.022 16.585 -4.399 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . c30342_6aza 1 . 9 . 2273 . 1 1 11 ARG NH2 N 11.880 16.967 -2.446 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . c30342_6aza 1 . 9 . 2274 . 1 1 11 ARG O O 9.361 9.547 -2.607 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . c30342_6aza 1 . 9 . 2275 . 1 1 12 PRO C C 7.545 11.529 -0.976 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . c30342_6aza 1 . 9 . 2276 . 1 1 12 PRO CA C 8.660 10.817 -0.218 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . c30342_6aza 1 . 9 . 2277 . 1 1 12 PRO CB C 8.926 11.513 1.121 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . c30342_6aza 1 . 9 . 2278 . 1 1 12 PRO CD C 10.904 11.771 -0.196 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . c30342_6aza 1 . 9 . 2279 . 1 1 12 PRO CG C 10.053 12.446 0.844 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . c30342_6aza 1 . 9 . 2280 . 1 1 12 PRO HA H 8.374 9.790 -0.040 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . c30342_6aza 1 . 9 . 2281 . 1 1 12 PRO HB2 H 8.040 12.045 1.434 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . c30342_6aza 1 . 9 . 2282 . 1 1 12 PRO HB3 H 9.195 10.779 1.865 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . c30342_6aza 1 . 9 . 2283 . 1 1 12 PRO HD2 H 11.334 12.503 -0.864 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . c30342_6aza 1 . 9 . 2284 . 1 1 12 PRO HD3 H 11.681 11.184 0.273 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . c30342_6aza 1 . 9 . 2285 . 1 1 12 PRO HG2 H 9.671 13.383 0.467 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . c30342_6aza 1 . 9 . 2286 . 1 1 12 PRO HG3 H 10.624 12.609 1.746 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . c30342_6aza 1 . 9 . 2287 . 1 1 12 PRO N N 9.949 10.905 -0.908 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . c30342_6aza 1 . 9 . 2288 . 1 1 12 PRO O O 7.763 12.582 -1.577 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . c30342_6aza 1 . 9 . 2289 . 1 1 13 LYS C C 4.550 12.614 -0.775 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c30342_6aza 1 . 9 . 2290 . 1 1 13 LYS CA C 5.200 11.530 -1.627 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c30342_6aza 1 . 9 . 2291 . 1 1 13 LYS CB C 4.176 10.442 -1.958 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c30342_6aza 1 . 9 . 2292 . 1 1 13 LYS CD C 4.267 10.443 -4.467 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c30342_6aza 1 . 9 . 2293 . 1 1 13 LYS CE C 2.793 10.450 -4.840 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c30342_6aza 1 . 9 . 2294 . 1 1 13 LYS CG C 4.517 9.641 -3.202 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c30342_6aza 1 . 9 . 2295 . 1 1 13 LYS H H 6.239 10.112 -0.449 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c30342_6aza 1 . 9 . 2296 . 1 1 13 LYS HA H 5.549 11.974 -2.548 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c30342_6aza 1 . 9 . 2297 . 1 1 13 LYS HB2 H 4.111 9.761 -1.123 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c30342_6aza 1 . 9 . 2298 . 1 1 13 LYS HB3 H 3.211 10.907 -2.108 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c30342_6aza 1 . 9 . 2299 . 1 1 13 LYS HD2 H 4.591 11.461 -4.309 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c30342_6aza 1 . 9 . 2300 . 1 1 13 LYS HD3 H 4.832 10.006 -5.278 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c30342_6aza 1 . 9 . 2301 . 1 1 13 LYS HE2 H 2.206 10.443 -3.936 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c30342_6aza 1 . 9 . 2302 . 1 1 13 LYS HE3 H 2.581 11.349 -5.399 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c30342_6aza 1 . 9 . 2303 . 1 1 13 LYS HG2 H 5.561 9.364 -3.164 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c30342_6aza 1 . 9 . 2304 . 1 1 13 LYS HG3 H 3.907 8.750 -3.224 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c30342_6aza 1 . 9 . 2305 . 1 1 13 LYS HZ1 H 3.180 8.555 -5.629 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 9 . 2306 . 1 1 13 LYS HZ2 H 2.282 9.553 -6.658 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 9 . 2307 . 1 1 13 LYS HZ3 H 1.544 8.842 -5.310 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 9 . 2308 . 1 1 13 LYS N N 6.351 10.950 -0.945 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c30342_6aza 1 . 9 . 2309 . 1 1 13 LYS NZ N 2.424 9.267 -5.667 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c30342_6aza 1 . 9 . 2310 . 1 1 13 LYS O O 4.701 12.650 0.447 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c30342_6aza 1 . 9 . 2311 . 1 1 14 PRO C C 1.950 14.135 0.100 . . . 1.0 . . . . . . . . . . . . A . 14 PRO C . . . . . . . . . c30342_6aza 1 . 9 . 2312 . 1 1 14 PRO CA C 3.119 14.620 -0.750 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CA . . . . . . . . . c30342_6aza 1 . 9 . 2313 . 1 1 14 PRO CB C 2.616 15.490 -1.905 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CB . . . . . . . . . c30342_6aza 1 . 9 . 2314 . 1 1 14 PRO CD C 3.586 13.538 -2.885 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CD . . . . . . . . . c30342_6aza 1 . 9 . 2315 . 1 1 14 PRO CG C 2.493 14.555 -3.058 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CG . . . . . . . . . c30342_6aza 1 . 9 . 2316 . 1 1 14 PRO HA H 3.798 15.192 -0.135 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HA . . . . . . . . . c30342_6aza 1 . 9 . 2317 . 1 1 14 PRO HB2 H 1.661 15.923 -1.643 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB2 . . . . . . . . . c30342_6aza 1 . 9 . 2318 . 1 1 14 PRO HB3 H 3.330 16.274 -2.108 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB3 . . . . . . . . . c30342_6aza 1 . 9 . 2319 . 1 1 14 PRO HD2 H 3.262 12.571 -3.239 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD2 . . . . . . . . . c30342_6aza 1 . 9 . 2320 . 1 1 14 PRO HD3 H 4.478 13.852 -3.407 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD3 . . . . . . . . . c30342_6aza 1 . 9 . 2321 . 1 1 14 PRO HG2 H 1.527 14.074 -3.038 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG2 . . . . . . . . . c30342_6aza 1 . 9 . 2322 . 1 1 14 PRO HG3 H 2.625 15.095 -3.984 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG3 . . . . . . . . . c30342_6aza 1 . 9 . 2323 . 1 1 14 PRO N N 3.809 13.520 -1.431 . . . 1.0 . . . . . . . . . . . . A . 14 PRO N . . . . . . . . . c30342_6aza 1 . 9 . 2324 . 1 1 14 PRO O O 1.650 14.710 1.146 . . . 1.0 . . . . . . . . . . . . A . 14 PRO O . . . . . . . . . c30342_6aza 1 . 9 . 2325 . 1 1 15 ASN C C 0.575 11.279 1.162 . . . 1.0 . . . . . . . . . . . . A . 15 ASN C . . . . . . . . . c30342_6aza 1 . 9 . 2326 . 1 1 15 ASN CA C 0.158 12.510 0.364 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CA . . . . . . . . . c30342_6aza 1 . 9 . 2327 . 1 1 15 ASN CB C -0.961 12.143 -0.614 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CB . . . . . . . . . c30342_6aza 1 . 9 . 2328 . 1 1 15 ASN CG C -1.754 13.354 -1.067 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CG . . . . . . . . . c30342_6aza 1 . 9 . 2329 . 1 1 15 ASN H H 1.581 12.658 -1.196 . . . 1.0 . . . . . . . . . . . . A . 15 ASN H . . . . . . . . . c30342_6aza 1 . 9 . 2330 . 1 1 15 ASN HA H -0.207 13.261 1.047 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HA . . . . . . . . . c30342_6aza 1 . 9 . 2331 . 1 1 15 ASN HB2 H -0.528 11.674 -1.486 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB2 . . . . . . . . . c30342_6aza 1 . 9 . 2332 . 1 1 15 ASN HB3 H -1.637 11.451 -0.136 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB3 . . . . . . . . . c30342_6aza 1 . 9 . 2333 . 1 1 15 ASN HD21 H -3.444 12.306 -0.990 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD21 . . . . . . . . . c30342_6aza 1 . 9 . 2334 . 1 1 15 ASN HD22 H -3.602 13.954 -1.483 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD22 . . . . . . . . . c30342_6aza 1 . 9 . 2335 . 1 1 15 ASN N N 1.294 13.073 -0.356 . . . 1.0 . . . . . . . . . . . . A . 15 ASN N . . . . . . . . . c30342_6aza 1 . 9 . 2336 . 1 1 15 ASN ND2 N -3.066 13.188 -1.192 . . . 1.0 . . . . . . . . . . . . A . 15 ASN ND2 . . . . . . . . . c30342_6aza 1 . 9 . 2337 . 1 1 15 ASN O O -0.019 10.965 2.195 . . . 1.0 . . . . . . . . . . . . A . 15 ASN O . . . . . . . . . c30342_6aza 1 . 9 . 2338 . 1 1 15 ASN OD1 O -1.194 14.425 -1.298 . . . 1.0 . . . . . . . . . . . . A . 15 ASN OD1 . . . . . . . . . c30342_6aza 1 . 9 . 2339 . 1 1 16 CYS C C 3.500 9.619 1.901 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c30342_6aza 1 . 9 . 2340 . 1 1 16 CYS CA C 2.097 9.388 1.345 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c30342_6aza 1 . 9 . 2341 . 1 1 16 CYS CB C 2.110 8.206 0.375 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c30342_6aza 1 . 9 . 2342 . 1 1 16 CYS H H 2.033 10.887 -0.149 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c30342_6aza 1 . 9 . 2343 . 1 1 16 CYS HA H 1.432 9.164 2.165 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c30342_6aza 1 . 9 . 2344 . 1 1 16 CYS HB2 H 1.092 7.965 0.102 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c30342_6aza 1 . 9 . 2345 . 1 1 16 CYS HB3 H 2.658 8.484 -0.513 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c30342_6aza 1 . 9 . 2346 . 1 1 16 CYS N N 1.599 10.586 0.679 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c30342_6aza 1 . 9 . 2347 . 1 1 16 CYS O O 4.494 9.420 1.205 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c30342_6aza 1 . 9 . 2348 . 1 1 16 CYS SG S 2.875 6.698 1.051 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c30342_6aza 1 . 9 . 2349 . 1 1 17 GLY C C 5.459 9.039 4.392 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c30342_6aza 1 . 9 . 2350 . 1 1 17 GLY CA C 4.853 10.292 3.788 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c30342_6aza 1 . 9 . 2351 . 1 1 17 GLY H H 2.742 10.182 3.667 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c30342_6aza 1 . 9 . 2352 . 1 1 17 GLY HA2 H 5.534 10.687 3.047 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c30342_6aza 1 . 9 . 2353 . 1 1 17 GLY HA3 H 4.722 11.027 4.569 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c30342_6aza 1 . 9 . 2354 . 1 1 17 GLY N N 3.571 10.041 3.161 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c30342_6aza 1 . 9 . 2355 . 1 1 17 GLY O O 6.116 8.264 3.698 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c30342_6aza 1 . 9 . 2356 . 1 1 18 NH2 HN1 H 4.707 9.498 6.187 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . c30342_6aza 1 . 9 . 2357 . 1 1 18 NH2 HN2 H 5.602 8.043 6.164 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . c30342_6aza 1 . 9 . 2358 . 1 1 18 NH2 N N 5.239 8.844 5.687 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . c30342_6aza 1 . 10 . 2359 . 1 1 1 ARG C C -0.069 3.622 -0.804 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30342_6aza 1 . 10 . 2360 . 1 1 1 ARG CA C -0.941 2.451 -0.359 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30342_6aza 1 . 10 . 2361 . 1 1 1 ARG CB C -1.553 1.764 -1.581 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30342_6aza 1 . 10 . 2362 . 1 1 1 ARG CD C -3.990 2.359 -1.724 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30342_6aza 1 . 10 . 2363 . 1 1 1 ARG CG C -2.601 2.604 -2.292 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30342_6aza 1 . 10 . 2364 . 1 1 1 ARG CZ C -5.318 2.004 -3.762 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30342_6aza 1 . 10 . 2365 . 1 1 1 ARG H1 H -2.605 3.605 0.255 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30342_6aza 1 . 10 . 2366 . 1 1 1 ARG HA H -0.325 1.741 0.171 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30342_6aza 1 . 10 . 2367 . 1 1 1 ARG HB2 H -0.766 1.539 -2.286 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30342_6aza 1 . 10 . 2368 . 1 1 1 ARG HB3 H -2.016 0.841 -1.265 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30342_6aza 1 . 10 . 2369 . 1 1 1 ARG HD2 H -4.083 1.314 -1.473 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30342_6aza 1 . 10 . 2370 . 1 1 1 ARG HD3 H -4.109 2.956 -0.832 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30342_6aza 1 . 10 . 2371 . 1 1 1 ARG HE H -5.564 3.522 -2.492 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30342_6aza 1 . 10 . 2372 . 1 1 1 ARG HG2 H -2.354 3.648 -2.171 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30342_6aza 1 . 10 . 2373 . 1 1 1 ARG HG3 H -2.600 2.350 -3.341 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30342_6aza 1 . 10 . 2374 . 1 1 1 ARG HH11 H -3.895 0.610 -3.419 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30342_6aza 1 . 10 . 2375 . 1 1 1 ARG HH12 H -4.839 0.371 -4.854 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30342_6aza 1 . 10 . 2376 . 1 1 1 ARG HH21 H -6.812 3.218 -4.377 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30342_6aza 1 . 10 . 2377 . 1 1 1 ARG HH22 H -6.497 1.854 -5.397 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30342_6aza 1 . 10 . 2378 . 1 1 1 ARG N N -1.990 2.900 0.547 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30342_6aza 1 . 10 . 2379 . 1 1 1 ARG NE N -5.040 2.713 -2.675 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30342_6aza 1 . 10 . 2380 . 1 1 1 ARG NH1 N -4.627 0.906 -4.035 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30342_6aza 1 . 10 . 2381 . 1 1 1 ARG NH2 N -6.289 2.390 -4.578 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30342_6aza 1 . 10 . 2382 . 1 1 1 ARG O O -0.286 4.762 -0.396 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30342_6aza 1 . 10 . 2383 . 1 1 2 CYS C C 2.466 3.925 -3.460 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c30342_6aza 1 . 10 . 2384 . 1 1 2 CYS CA C 1.825 4.358 -2.145 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c30342_6aza 1 . 10 . 2385 . 1 1 2 CYS CB C 2.911 4.659 -1.110 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c30342_6aza 1 . 10 . 2386 . 1 1 2 CYS H H 1.043 2.402 -1.935 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c30342_6aza 1 . 10 . 2387 . 1 1 2 CYS HA H 1.248 5.255 -2.318 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c30342_6aza 1 . 10 . 2388 . 1 1 2 CYS HB2 H 2.506 4.507 -0.120 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c30342_6aza 1 . 10 . 2389 . 1 1 2 CYS HB3 H 3.740 3.982 -1.262 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c30342_6aza 1 . 10 . 2390 . 1 1 2 CYS N N 0.920 3.332 -1.645 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c30342_6aza 1 . 10 . 2391 . 1 1 2 CYS O O 2.469 2.742 -3.802 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c30342_6aza 1 . 10 . 2392 . 1 1 2 CYS SG S 3.561 6.359 -1.187 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c30342_6aza 1 . 10 . 2393 . 1 1 3 LYS C C 5.078 4.108 -5.262 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . c30342_6aza 1 . 10 . 2394 . 1 1 3 LYS CA C 3.654 4.610 -5.472 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . c30342_6aza 1 . 10 . 2395 . 1 1 3 LYS CB C 3.668 5.865 -6.346 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . c30342_6aza 1 . 10 . 2396 . 1 1 3 LYS CD C 2.623 5.297 -8.559 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . c30342_6aza 1 . 10 . 2397 . 1 1 3 LYS CE C 3.553 6.072 -9.479 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . c30342_6aza 1 . 10 . 2398 . 1 1 3 LYS CG C 2.439 6.007 -7.228 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . c30342_6aza 1 . 10 . 2399 . 1 1 3 LYS H H 2.974 5.814 -3.868 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . c30342_6aza 1 . 10 . 2400 . 1 1 3 LYS HA H 3.084 3.840 -5.969 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . c30342_6aza 1 . 10 . 2401 . 1 1 3 LYS HB2 H 3.728 6.735 -5.707 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . c30342_6aza 1 . 10 . 2402 . 1 1 3 LYS HB3 H 4.541 5.837 -6.982 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . c30342_6aza 1 . 10 . 2403 . 1 1 3 LYS HD2 H 3.046 4.319 -8.380 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . c30342_6aza 1 . 10 . 2404 . 1 1 3 LYS HD3 H 1.660 5.193 -9.037 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . c30342_6aza 1 . 10 . 2405 . 1 1 3 LYS HE2 H 2.973 6.803 -10.021 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . c30342_6aza 1 . 10 . 2406 . 1 1 3 LYS HE3 H 4.297 6.574 -8.878 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . c30342_6aza 1 . 10 . 2407 . 1 1 3 LYS HG2 H 1.590 5.576 -6.718 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . c30342_6aza 1 . 10 . 2408 . 1 1 3 LYS HG3 H 2.258 7.056 -7.412 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . c30342_6aza 1 . 10 . 2409 . 1 1 3 LYS HZ1 H 4.081 4.184 -10.199 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 10 . 2410 . 1 1 3 LYS HZ2 H 5.262 5.367 -10.451 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 10 . 2411 . 1 1 3 LYS HZ3 H 3.870 5.345 -11.412 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 10 . 2412 . 1 1 3 LYS N N 3.008 4.890 -4.194 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . c30342_6aza 1 . 10 . 2413 . 1 1 3 LYS NZ N 4.239 5.180 -10.453 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . c30342_6aza 1 . 10 . 2414 . 1 1 3 LYS O O 5.667 4.301 -4.196 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . c30342_6aza 1 . 10 . 2415 . 1 1 4 THR C C 8.007 3.969 -6.677 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30342_6aza 1 . 10 . 2416 . 1 1 4 THR CA C 6.987 2.934 -6.214 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30342_6aza 1 . 10 . 2417 . 1 1 4 THR CB C 7.140 1.662 -7.068 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30342_6aza 1 . 10 . 2418 . 1 1 4 THR CG2 C 8.455 0.960 -6.764 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30342_6aza 1 . 10 . 2419 . 1 1 4 THR H H 5.113 3.341 -7.107 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30342_6aza 1 . 10 . 2420 . 1 1 4 THR HA H 7.191 2.677 -5.184 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30342_6aza 1 . 10 . 2421 . 1 1 4 THR HB H 7.130 1.943 -8.111 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30342_6aza 1 . 10 . 2422 . 1 1 4 THR HG1 H 6.168 0.352 -5.958 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30342_6aza 1 . 10 . 2423 . 1 1 4 THR HG21 H 8.414 -0.057 -7.125 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30342_6aza 1 . 10 . 2424 . 1 1 4 THR HG22 H 8.625 0.958 -5.697 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30342_6aza 1 . 10 . 2425 . 1 1 4 THR HG23 H 9.262 1.484 -7.255 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30342_6aza 1 . 10 . 2426 . 1 1 4 THR N N 5.631 3.463 -6.284 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30342_6aza 1 . 10 . 2427 . 1 1 4 THR O O 7.692 4.848 -7.479 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30342_6aza 1 . 10 . 2428 . 1 1 4 THR OG1 O 6.049 0.768 -6.815 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30342_6aza 1 . 10 . 2429 . 1 1 5 CYS C C 10.873 4.438 -7.900 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30342_6aza 1 . 10 . 2430 . 1 1 5 CYS CA C 10.295 4.782 -6.530 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30342_6aza 1 . 10 . 2431 . 1 1 5 CYS CB C 11.404 4.753 -5.476 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30342_6aza 1 . 10 . 2432 . 1 1 5 CYS H H 9.419 3.134 -5.534 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30342_6aza 1 . 10 . 2433 . 1 1 5 CYS HA H 9.874 5.775 -6.569 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30342_6aza 1 . 10 . 2434 . 1 1 5 CYS HB2 H 11.672 3.727 -5.275 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30342_6aza 1 . 10 . 2435 . 1 1 5 CYS HB3 H 12.268 5.276 -5.859 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30342_6aza 1 . 10 . 2436 . 1 1 5 CYS N N 9.229 3.856 -6.168 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30342_6aza 1 . 10 . 2437 . 1 1 5 CYS O O 10.691 3.328 -8.400 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30342_6aza 1 . 10 . 2438 . 1 1 5 CYS SG S 10.943 5.524 -3.891 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30342_6aza 1 . 10 . 2439 . 1 1 6 SER C C 13.587 4.649 -9.686 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . c30342_6aza 1 . 10 . 2440 . 1 1 6 SER CA C 12.170 5.199 -9.814 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . c30342_6aza 1 . 10 . 2441 . 1 1 6 SER CB C 12.191 6.516 -10.594 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . c30342_6aza 1 . 10 . 2442 . 1 1 6 SER H H 11.679 6.261 -8.051 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . c30342_6aza 1 . 10 . 2443 . 1 1 6 SER HA H 11.565 4.483 -10.350 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . c30342_6aza 1 . 10 . 2444 . 1 1 6 SER HB2 H 12.456 7.321 -9.928 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . c30342_6aza 1 . 10 . 2445 . 1 1 6 SER HB3 H 12.921 6.448 -11.387 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . c30342_6aza 1 . 10 . 2446 . 1 1 6 SER HG H 10.790 7.740 -11.205 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . c30342_6aza 1 . 10 . 2447 . 1 1 6 SER N N 11.570 5.398 -8.501 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . c30342_6aza 1 . 10 . 2448 . 1 1 6 SER O O 14.150 4.598 -8.592 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . c30342_6aza 1 . 10 . 2449 . 1 1 6 SER OG O 10.922 6.791 -11.164 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . c30342_6aza 1 . 10 . 2450 . 1 1 7 LYS C C 16.542 4.781 -10.553 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30342_6aza 1 . 10 . 2451 . 1 1 7 LYS CA C 15.511 3.691 -10.829 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30342_6aza 1 . 10 . 2452 . 1 1 7 LYS CB C 15.801 3.032 -12.179 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30342_6aza 1 . 10 . 2453 . 1 1 7 LYS CD C 15.257 0.590 -11.949 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30342_6aza 1 . 10 . 2454 . 1 1 7 LYS CE C 16.243 -0.127 -12.858 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30342_6aza 1 . 10 . 2455 . 1 1 7 LYS CG C 14.826 1.924 -12.535 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30342_6aza 1 . 10 . 2456 . 1 1 7 LYS H H 13.661 4.303 -11.653 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30342_6aza 1 . 10 . 2457 . 1 1 7 LYS HA H 15.578 2.945 -10.051 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30342_6aza 1 . 10 . 2458 . 1 1 7 LYS HB2 H 15.756 3.786 -12.951 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30342_6aza 1 . 10 . 2459 . 1 1 7 LYS HB3 H 16.797 2.613 -12.155 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30342_6aza 1 . 10 . 2460 . 1 1 7 LYS HD2 H 15.727 0.763 -10.992 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30342_6aza 1 . 10 . 2461 . 1 1 7 LYS HD3 H 14.384 -0.034 -11.815 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30342_6aza 1 . 10 . 2462 . 1 1 7 LYS HE2 H 15.733 -0.417 -13.763 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30342_6aza 1 . 10 . 2463 . 1 1 7 LYS HE3 H 17.048 0.551 -13.100 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30342_6aza 1 . 10 . 2464 . 1 1 7 LYS HG2 H 13.850 2.176 -12.149 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30342_6aza 1 . 10 . 2465 . 1 1 7 LYS HG3 H 14.776 1.833 -13.612 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30342_6aza 1 . 10 . 2466 . 1 1 7 LYS HZ1 H 17.375 -1.072 -11.379 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 10 . 2467 . 1 1 7 LYS HZ2 H 17.425 -1.850 -12.881 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 10 . 2468 . 1 1 7 LYS HZ3 H 16.047 -1.976 -11.907 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 10 . 2469 . 1 1 7 LYS N N 14.159 4.237 -10.812 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30342_6aza 1 . 10 . 2470 . 1 1 7 LYS NZ N 16.811 -1.341 -12.211 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30342_6aza 1 . 10 . 2471 . 1 1 7 LYS O O 16.828 5.611 -11.413 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30342_6aza 1 . 10 . 2472 . 1 1 8 GLY C C 17.483 6.960 -8.271 . . . 1.0 . . . . . . . . . . . . A . 8 GLY C . . . . . . . . . c30342_6aza 1 . 10 . 2473 . 1 1 8 GLY CA C 18.091 5.763 -8.976 . . . 1.0 . . . . . . . . . . . . A . 8 GLY CA . . . . . . . . . c30342_6aza 1 . 10 . 2474 . 1 1 8 GLY H H 16.830 4.086 -8.697 . . . 1.0 . . . . . . . . . . . . A . 8 GLY H . . . . . . . . . c30342_6aza 1 . 10 . 2475 . 1 1 8 GLY HA2 H 18.818 5.305 -8.323 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA2 . . . . . . . . . c30342_6aza 1 . 10 . 2476 . 1 1 8 GLY HA3 H 18.591 6.105 -9.871 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA3 . . . . . . . . . c30342_6aza 1 . 10 . 2477 . 1 1 8 GLY N N 17.098 4.772 -9.344 . . . 1.0 . . . . . . . . . . . . A . 8 GLY N . . . . . . . . . c30342_6aza 1 . 10 . 2478 . 1 1 8 GLY O O 18.148 7.625 -7.477 . . . 1.0 . . . . . . . . . . . . A . 8 GLY O . . . . . . . . . c30342_6aza 1 . 10 . 2479 . 1 1 9 ARG C C 14.370 7.877 -7.071 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c30342_6aza 1 . 10 . 2480 . 1 1 9 ARG CA C 15.519 8.360 -7.951 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c30342_6aza 1 . 10 . 2481 . 1 1 9 ARG CB C 14.985 9.304 -9.031 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c30342_6aza 1 . 10 . 2482 . 1 1 9 ARG CD C 15.579 10.846 -10.926 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c30342_6aza 1 . 10 . 2483 . 1 1 9 ARG CG C 16.048 10.214 -9.624 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c30342_6aza 1 . 10 . 2484 . 1 1 9 ARG CZ C 13.804 12.354 -11.714 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c30342_6aza 1 . 10 . 2485 . 1 1 9 ARG H H 15.738 6.668 -9.202 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c30342_6aza 1 . 10 . 2486 . 1 1 9 ARG HA H 16.227 8.896 -7.337 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c30342_6aza 1 . 10 . 2487 . 1 1 9 ARG HB2 H 14.562 8.714 -9.831 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c30342_6aza 1 . 10 . 2488 . 1 1 9 ARG HB3 H 14.212 9.922 -8.601 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c30342_6aza 1 . 10 . 2489 . 1 1 9 ARG HD2 H 16.389 11.425 -11.341 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c30342_6aza 1 . 10 . 2490 . 1 1 9 ARG HD3 H 15.309 10.059 -11.614 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c30342_6aza 1 . 10 . 2491 . 1 1 9 ARG HE H 14.098 11.836 -9.810 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c30342_6aza 1 . 10 . 2492 . 1 1 9 ARG HG2 H 16.272 11.000 -8.916 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c30342_6aza 1 . 10 . 2493 . 1 1 9 ARG HG3 H 16.939 9.635 -9.815 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c30342_6aza 1 . 10 . 2494 . 1 1 9 ARG HH11 H 15.010 11.627 -13.164 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c30342_6aza 1 . 10 . 2495 . 1 1 9 ARG HH12 H 13.755 12.692 -13.706 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c30342_6aza 1 . 10 . 2496 . 1 1 9 ARG HH21 H 12.442 13.238 -10.511 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c30342_6aza 1 . 10 . 2497 . 1 1 9 ARG HH22 H 12.295 13.609 -12.196 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c30342_6aza 1 . 10 . 2498 . 1 1 9 ARG N N 16.215 7.235 -8.562 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c30342_6aza 1 . 10 . 2499 . 1 1 9 ARG NE N 14.426 11.719 -10.725 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c30342_6aza 1 . 10 . 2500 . 1 1 9 ARG NH1 N 14.225 12.213 -12.964 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c30342_6aza 1 . 10 . 2501 . 1 1 9 ARG NH2 N 12.762 13.131 -11.452 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c30342_6aza 1 . 10 . 2502 . 1 1 9 ARG O O 13.396 7.304 -7.561 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c30342_6aza 1 . 10 . 2503 . 1 1 10 CYS C C 13.204 8.793 -3.790 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30342_6aza 1 . 10 . 2504 . 1 1 10 CYS CA C 13.465 7.696 -4.819 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30342_6aza 1 . 10 . 2505 . 1 1 10 CYS CB C 13.885 6.408 -4.110 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30342_6aza 1 . 10 . 2506 . 1 1 10 CYS H H 15.293 8.569 -5.437 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30342_6aza 1 . 10 . 2507 . 1 1 10 CYS HA H 12.556 7.513 -5.371 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30342_6aza 1 . 10 . 2508 . 1 1 10 CYS HB2 H 14.034 5.633 -4.847 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30342_6aza 1 . 10 . 2509 . 1 1 10 CYS HB3 H 14.813 6.579 -3.585 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30342_6aza 1 . 10 . 2510 . 1 1 10 CYS N N 14.492 8.109 -5.769 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30342_6aza 1 . 10 . 2511 . 1 1 10 CYS O O 14.061 9.098 -2.960 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30342_6aza 1 . 10 . 2512 . 1 1 10 CYS SG S 12.669 5.793 -2.901 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30342_6aza 1 . 10 . 2513 . 1 1 11 ARG C C 10.278 10.164 -2.298 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . c30342_6aza 1 . 10 . 2514 . 1 1 11 ARG CA C 11.639 10.445 -2.927 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . c30342_6aza 1 . 10 . 2515 . 1 1 11 ARG CB C 11.611 11.794 -3.650 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . c30342_6aza 1 . 10 . 2516 . 1 1 11 ARG CD C 12.804 13.968 -3.242 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . c30342_6aza 1 . 10 . 2517 . 1 1 11 ARG CG C 12.951 12.512 -3.653 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . c30342_6aza 1 . 10 . 2518 . 1 1 11 ARG CZ C 11.739 16.022 -4.070 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . c30342_6aza 1 . 10 . 2519 . 1 1 11 ARG H H 11.373 9.096 -4.536 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . c30342_6aza 1 . 10 . 2520 . 1 1 11 ARG HA H 12.383 10.483 -2.144 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . c30342_6aza 1 . 10 . 2521 . 1 1 11 ARG HB2 H 11.312 11.633 -4.675 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . c30342_6aza 1 . 10 . 2522 . 1 1 11 ARG HB3 H 10.887 12.432 -3.168 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . c30342_6aza 1 . 10 . 2523 . 1 1 11 ARG HD2 H 12.358 14.006 -2.259 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . c30342_6aza 1 . 10 . 2524 . 1 1 11 ARG HD3 H 13.784 14.420 -3.210 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . c30342_6aza 1 . 10 . 2525 . 1 1 11 ARG HE H 11.549 14.223 -4.908 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . c30342_6aza 1 . 10 . 2526 . 1 1 11 ARG HG2 H 13.615 12.018 -2.959 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . c30342_6aza 1 . 10 . 2527 . 1 1 11 ARG HG3 H 13.369 12.468 -4.647 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . c30342_6aza 1 . 10 . 2528 . 1 1 11 ARG HH11 H 12.873 16.261 -2.415 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . c30342_6aza 1 . 10 . 2529 . 1 1 11 ARG HH12 H 12.116 17.701 -3.010 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . c30342_6aza 1 . 10 . 2530 . 1 1 11 ARG HH21 H 10.548 16.112 -5.701 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . c30342_6aza 1 . 10 . 2531 . 1 1 11 ARG HH22 H 10.793 17.616 -4.878 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . c30342_6aza 1 . 10 . 2532 . 1 1 11 ARG N N 12.014 9.383 -3.852 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . c30342_6aza 1 . 10 . 2533 . 1 1 11 ARG NE N 11.964 14.718 -4.172 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . c30342_6aza 1 . 10 . 2534 . 1 1 11 ARG NH1 N 12.286 16.719 -3.084 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . c30342_6aza 1 . 10 . 2535 . 1 1 11 ARG NH2 N 10.963 16.634 -4.956 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . c30342_6aza 1 . 10 . 2536 . 1 1 11 ARG O O 9.482 9.377 -2.809 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . c30342_6aza 1 . 10 . 2537 . 1 1 12 PRO C C 7.556 11.268 -1.195 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . c30342_6aza 1 . 10 . 2538 . 1 1 12 PRO CA C 8.736 10.662 -0.442 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . c30342_6aza 1 . 10 . 2539 . 1 1 12 PRO CB C 8.977 11.416 0.869 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . c30342_6aza 1 . 10 . 2540 . 1 1 12 PRO CD C 10.904 11.780 -0.499 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . c30342_6aza 1 . 10 . 2541 . 1 1 12 PRO CG C 10.027 12.421 0.540 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . c30342_6aza 1 . 10 . 2542 . 1 1 12 PRO HA H 8.532 9.623 -0.229 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . c30342_6aza 1 . 10 . 2543 . 1 1 12 PRO HB2 H 8.061 11.890 1.188 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . c30342_6aza 1 . 10 . 2544 . 1 1 12 PRO HB3 H 9.315 10.726 1.628 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . c30342_6aza 1 . 10 . 2545 . 1 1 12 PRO HD2 H 11.264 12.521 -1.197 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . c30342_6aza 1 . 10 . 2546 . 1 1 12 PRO HD3 H 11.730 11.266 -0.030 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . c30342_6aza 1 . 10 . 2547 . 1 1 12 PRO HG2 H 9.568 13.315 0.146 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . c30342_6aza 1 . 10 . 2548 . 1 1 12 PRO HG3 H 10.602 12.652 1.425 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . c30342_6aza 1 . 10 . 2549 . 1 1 12 PRO N N 10.002 10.824 -1.164 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . c30342_6aza 1 . 10 . 2550 . 1 1 12 PRO O O 7.684 12.314 -1.830 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . c30342_6aza 1 . 10 . 2551 . 1 1 13 LYS C C 4.500 12.143 -0.962 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c30342_6aza 1 . 10 . 2552 . 1 1 13 LYS CA C 5.205 11.075 -1.792 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c30342_6aza 1 . 10 . 2553 . 1 1 13 LYS CB C 4.252 9.908 -2.058 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c30342_6aza 1 . 10 . 2554 . 1 1 13 LYS CD C 5.866 8.461 -3.326 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c30342_6aza 1 . 10 . 2555 . 1 1 13 LYS CE C 5.963 7.409 -4.421 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c30342_6aza 1 . 10 . 2556 . 1 1 13 LYS CG C 4.529 9.181 -3.362 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c30342_6aza 1 . 10 . 2557 . 1 1 13 LYS H H 6.370 9.773 -0.599 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c30342_6aza 1 . 10 . 2558 . 1 1 13 LYS HA H 5.501 11.508 -2.737 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c30342_6aza 1 . 10 . 2559 . 1 1 13 LYS HB2 H 4.339 9.198 -1.248 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c30342_6aza 1 . 10 . 2560 . 1 1 13 LYS HB3 H 3.241 10.285 -2.087 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c30342_6aza 1 . 10 . 2561 . 1 1 13 LYS HD2 H 6.658 9.183 -3.465 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c30342_6aza 1 . 10 . 2562 . 1 1 13 LYS HD3 H 5.981 7.979 -2.365 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c30342_6aza 1 . 10 . 2563 . 1 1 13 LYS HE2 H 5.277 6.609 -4.195 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c30342_6aza 1 . 10 . 2564 . 1 1 13 LYS HE3 H 5.689 7.862 -5.362 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c30342_6aza 1 . 10 . 2565 . 1 1 13 LYS HG2 H 3.747 8.455 -3.533 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c30342_6aza 1 . 10 . 2566 . 1 1 13 LYS HG3 H 4.538 9.898 -4.170 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c30342_6aza 1 . 10 . 2567 . 1 1 13 LYS HZ1 H 7.329 5.990 -5.117 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 10 . 2568 . 1 1 13 LYS HZ2 H 7.707 6.613 -3.590 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 10 . 2569 . 1 1 13 LYS HZ3 H 7.973 7.548 -4.976 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 10 . 2570 . 1 1 13 LYS N N 6.410 10.602 -1.120 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c30342_6aza 1 . 10 . 2571 . 1 1 13 LYS NZ N 7.340 6.851 -4.534 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c30342_6aza 1 . 10 . 2572 . 1 1 13 LYS O O 4.675 12.233 0.253 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c30342_6aza 1 . 10 . 2573 . 1 1 14 PRO C C 1.821 13.509 -0.074 . . . 1.0 . . . . . . . . . . . . A . 14 PRO C . . . . . . . . . c30342_6aza 1 . 10 . 2574 . 1 1 14 PRO CA C 2.933 14.044 -0.972 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CA . . . . . . . . . c30342_6aza 1 . 10 . 2575 . 1 1 14 PRO CB C 2.342 14.833 -2.142 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CB . . . . . . . . . c30342_6aza 1 . 10 . 2576 . 1 1 14 PRO CD C 3.425 12.919 -3.078 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CD . . . . . . . . . c30342_6aza 1 . 10 . 2577 . 1 1 14 PRO CG C 2.257 13.850 -3.259 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CG . . . . . . . . . c30342_6aza 1 . 10 . 2578 . 1 1 14 PRO HA H 3.583 14.685 -0.395 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HA . . . . . . . . . c30342_6aza 1 . 10 . 2579 . 1 1 14 PRO HB2 H 1.365 15.209 -1.870 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB2 . . . . . . . . . c30342_6aza 1 . 10 . 2580 . 1 1 14 PRO HB3 H 2.994 15.657 -2.390 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB3 . . . . . . . . . c30342_6aza 1 . 10 . 2581 . 1 1 14 PRO HD2 H 3.161 11.919 -3.389 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD2 . . . . . . . . . c30342_6aza 1 . 10 . 2582 . 1 1 14 PRO HD3 H 4.280 13.274 -3.634 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD3 . . . . . . . . . c30342_6aza 1 . 10 . 2583 . 1 1 14 PRO HG2 H 1.329 13.303 -3.197 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG2 . . . . . . . . . c30342_6aza 1 . 10 . 2584 . 1 1 14 PRO HG3 H 2.330 14.363 -4.205 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG3 . . . . . . . . . c30342_6aza 1 . 10 . 2585 . 1 1 14 PRO N N 3.682 12.969 -1.630 . . . 1.0 . . . . . . . . . . . . A . 14 PRO N . . . . . . . . . c30342_6aza 1 . 10 . 2586 . 1 1 14 PRO O O 1.526 14.085 0.973 . . . 1.0 . . . . . . . . . . . . A . 14 PRO O . . . . . . . . . c30342_6aza 1 . 10 . 2587 . 1 1 15 ASN C C 0.683 10.841 1.329 . . . 1.0 . . . . . . . . . . . . A . 15 ASN C . . . . . . . . . c30342_6aza 1 . 10 . 2588 . 1 1 15 ASN CA C 0.130 11.795 0.274 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CA . . . . . . . . . c30342_6aza 1 . 10 . 2589 . 1 1 15 ASN CB C -0.824 11.044 -0.658 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CB . . . . . . . . . c30342_6aza 1 . 10 . 2590 . 1 1 15 ASN CG C -2.210 10.884 -0.061 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CG . . . . . . . . . c30342_6aza 1 . 10 . 2591 . 1 1 15 ASN H H 1.489 11.994 -1.336 . . . 1.0 . . . . . . . . . . . . A . 15 ASN H . . . . . . . . . c30342_6aza 1 . 10 . 2592 . 1 1 15 ASN HA H -0.414 12.585 0.771 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HA . . . . . . . . . c30342_6aza 1 . 10 . 2593 . 1 1 15 ASN HB2 H -0.914 11.589 -1.586 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB2 . . . . . . . . . c30342_6aza 1 . 10 . 2594 . 1 1 15 ASN HB3 H -0.423 10.061 -0.858 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB3 . . . . . . . . . c30342_6aza 1 . 10 . 2595 . 1 1 15 ASN HD21 H -2.994 10.672 -1.877 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD21 . . . . . . . . . c30342_6aza 1 . 10 . 2596 . 1 1 15 ASN HD22 H -4.111 10.592 -0.562 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD22 . . . . . . . . . c30342_6aza 1 . 10 . 2597 . 1 1 15 ASN N N 1.209 12.406 -0.493 . . . 1.0 . . . . . . . . . . . . A . 15 ASN N . . . . . . . . . c30342_6aza 1 . 10 . 2598 . 1 1 15 ASN ND2 N -3.205 10.697 -0.921 . . . 1.0 . . . . . . . . . . . . A . 15 ASN ND2 . . . . . . . . . c30342_6aza 1 . 10 . 2599 . 1 1 15 ASN O O 0.068 10.631 2.375 . . . 1.0 . . . . . . . . . . . . A . 15 ASN O . . . . . . . . . c30342_6aza 1 . 10 . 2600 . 1 1 15 ASN OD1 O -2.382 10.929 1.157 . . . 1.0 . . . . . . . . . . . . A . 15 ASN OD1 . . . . . . . . . c30342_6aza 1 . 10 . 2601 . 1 1 16 CYS C C 3.470 10.065 2.882 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c30342_6aza 1 . 10 . 2602 . 1 1 16 CYS CA C 2.486 9.337 1.970 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c30342_6aza 1 . 10 . 2603 . 1 1 16 CYS CB C 3.211 8.236 1.196 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c30342_6aza 1 . 10 . 2604 . 1 1 16 CYS H H 2.290 10.476 0.197 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c30342_6aza 1 . 10 . 2605 . 1 1 16 CYS HA H 1.714 8.891 2.578 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c30342_6aza 1 . 10 . 2606 . 1 1 16 CYS HB2 H 4.093 8.652 0.731 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c30342_6aza 1 . 10 . 2607 . 1 1 16 CYS HB3 H 3.507 7.457 1.883 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c30342_6aza 1 . 10 . 2608 . 1 1 16 CYS N N 1.848 10.268 1.047 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c30342_6aza 1 . 10 . 2609 . 1 1 16 CYS O O 3.690 11.268 2.742 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c30342_6aza 1 . 10 . 2610 . 1 1 16 CYS SG S 2.209 7.464 -0.115 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c30342_6aza 1 . 10 . 2611 . 1 1 17 GLY C C 4.896 9.347 6.138 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c30342_6aza 1 . 10 . 2612 . 1 1 17 GLY CA C 5.013 9.915 4.739 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c30342_6aza 1 . 10 . 2613 . 1 1 17 GLY H H 3.845 8.371 3.881 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c30342_6aza 1 . 10 . 2614 . 1 1 17 GLY HA2 H 6.012 9.736 4.370 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c30342_6aza 1 . 10 . 2615 . 1 1 17 GLY HA3 H 4.843 10.981 4.781 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c30342_6aza 1 . 10 . 2616 . 1 1 17 GLY N N 4.060 9.326 3.817 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c30342_6aza 1 . 10 . 2617 . 1 1 17 GLY O O 3.875 8.758 6.492 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c30342_6aza 1 . 10 . 2618 . 1 1 18 NH2 HN1 H 6.732 9.997 6.595 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . c30342_6aza 1 . 10 . 2619 . 1 1 18 NH2 HN2 H 5.952 9.174 7.873 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . c30342_6aza 1 . 10 . 2620 . 1 1 18 NH2 N N 5.946 9.519 6.935 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . c30342_6aza 1 . 11 . 2621 . 1 1 1 ARG C C 1.246 1.875 -0.390 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30342_6aza 1 . 11 . 2622 . 1 1 1 ARG CA C 1.611 0.813 0.643 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30342_6aza 1 . 11 . 2623 . 1 1 1 ARG CB C 2.255 1.473 1.863 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30342_6aza 1 . 11 . 2624 . 1 1 1 ARG CD C 4.273 2.592 2.860 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30342_6aza 1 . 11 . 2625 . 1 1 1 ARG CG C 3.664 1.984 1.606 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30342_6aza 1 . 11 . 2626 . 1 1 1 ARG CZ C 6.633 2.881 2.232 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30342_6aza 1 . 11 . 2627 . 1 1 1 ARG H1 H 3.314 0.120 -0.404 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30342_6aza 1 . 11 . 2628 . 1 1 1 ARG HA H 0.711 0.305 0.952 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30342_6aza 1 . 11 . 2629 . 1 1 1 ARG HB2 H 1.644 2.308 2.171 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30342_6aza 1 . 11 . 2630 . 1 1 1 ARG HB3 H 2.298 0.754 2.665 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30342_6aza 1 . 11 . 2631 . 1 1 1 ARG HD2 H 3.534 3.218 3.337 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30342_6aza 1 . 11 . 2632 . 1 1 1 ARG HD3 H 4.554 1.793 3.531 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30342_6aza 1 . 11 . 2633 . 1 1 1 ARG HE H 5.361 4.372 2.607 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30342_6aza 1 . 11 . 2634 . 1 1 1 ARG HG2 H 4.282 1.162 1.282 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30342_6aza 1 . 11 . 2635 . 1 1 1 ARG HG3 H 3.628 2.738 0.833 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30342_6aza 1 . 11 . 2636 . 1 1 1 ARG HH11 H 6.014 0.961 2.354 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30342_6aza 1 . 11 . 2637 . 1 1 1 ARG HH12 H 7.675 1.178 1.912 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30342_6aza 1 . 11 . 2638 . 1 1 1 ARG HH21 H 7.547 4.671 2.024 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30342_6aza 1 . 11 . 2639 . 1 1 1 ARG HH22 H 8.546 3.288 1.725 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30342_6aza 1 . 11 . 2640 . 1 1 1 ARG N N 2.512 -0.181 0.069 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30342_6aza 1 . 11 . 2641 . 1 1 1 ARG NE N 5.453 3.398 2.560 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30342_6aza 1 . 11 . 2642 . 1 1 1 ARG NH1 N 6.787 1.565 2.160 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30342_6aza 1 . 11 . 2643 . 1 1 1 ARG NH2 N 7.659 3.679 1.973 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30342_6aza 1 . 11 . 2644 . 1 1 1 ARG O O 0.096 2.308 -0.472 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30342_6aza 1 . 11 . 2645 . 1 1 2 CYS C C 2.827 2.989 -3.458 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c30342_6aza 1 . 11 . 2646 . 1 1 2 CYS CA C 2.015 3.304 -2.204 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c30342_6aza 1 . 11 . 2647 . 1 1 2 CYS CB C 2.393 4.688 -1.673 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c30342_6aza 1 . 11 . 2648 . 1 1 2 CYS H H 3.127 1.909 -1.065 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c30342_6aza 1 . 11 . 2649 . 1 1 2 CYS HA H 0.968 3.300 -2.459 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c30342_6aza 1 . 11 . 2650 . 1 1 2 CYS HB2 H 3.198 4.583 -0.960 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c30342_6aza 1 . 11 . 2651 . 1 1 2 CYS HB3 H 2.727 5.302 -2.498 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c30342_6aza 1 . 11 . 2652 . 1 1 2 CYS N N 2.232 2.291 -1.177 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c30342_6aza 1 . 11 . 2653 . 1 1 2 CYS O O 3.554 1.996 -3.507 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c30342_6aza 1 . 11 . 2654 . 1 1 2 CYS SG S 1.029 5.564 -0.844 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c30342_6aza 1 . 11 . 2655 . 1 1 3 LYS C C 4.912 3.479 -5.471 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . c30342_6aza 1 . 11 . 2656 . 1 1 3 LYS CA C 3.419 3.655 -5.723 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . c30342_6aza 1 . 11 . 2657 . 1 1 3 LYS CB C 3.186 4.851 -6.650 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . c30342_6aza 1 . 11 . 2658 . 1 1 3 LYS CD C 1.581 5.828 -8.316 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . c30342_6aza 1 . 11 . 2659 . 1 1 3 LYS CE C 1.855 7.312 -8.126 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . c30342_6aza 1 . 11 . 2660 . 1 1 3 LYS CG C 1.725 5.065 -7.012 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . c30342_6aza 1 . 11 . 2661 . 1 1 3 LYS H H 2.102 4.614 -4.370 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . c30342_6aza 1 . 11 . 2662 . 1 1 3 LYS HA H 3.038 2.764 -6.196 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . c30342_6aza 1 . 11 . 2663 . 1 1 3 LYS HB2 H 3.548 5.745 -6.166 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . c30342_6aza 1 . 11 . 2664 . 1 1 3 LYS HB3 H 3.741 4.696 -7.564 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . c30342_6aza 1 . 11 . 2665 . 1 1 3 LYS HD2 H 2.283 5.433 -9.035 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . c30342_6aza 1 . 11 . 2666 . 1 1 3 LYS HD3 H 0.573 5.702 -8.687 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . c30342_6aza 1 . 11 . 2667 . 1 1 3 LYS HE2 H 0.945 7.796 -7.806 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . c30342_6aza 1 . 11 . 2668 . 1 1 3 LYS HE3 H 2.613 7.430 -7.367 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . c30342_6aza 1 . 11 . 2669 . 1 1 3 LYS HG2 H 1.245 4.102 -7.115 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . c30342_6aza 1 . 11 . 2670 . 1 1 3 LYS HG3 H 1.248 5.625 -6.220 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . c30342_6aza 1 . 11 . 2671 . 1 1 3 LYS HZ1 H 2.126 7.336 -10.198 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 11 . 2672 . 1 1 3 LYS HZ2 H 3.351 8.125 -9.338 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 11 . 2673 . 1 1 3 LYS HZ3 H 1.840 8.862 -9.528 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 11 . 2674 . 1 1 3 LYS N N 2.698 3.840 -4.469 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . c30342_6aza 1 . 11 . 2675 . 1 1 3 LYS NZ N 2.326 7.954 -9.386 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . c30342_6aza 1 . 11 . 2676 . 1 1 3 LYS O O 5.416 3.815 -4.398 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . c30342_6aza 1 . 11 . 2677 . 1 1 4 THR C C 7.839 3.854 -7.016 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30342_6aza 1 . 11 . 2678 . 1 1 4 THR CA C 7.054 2.729 -6.351 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30342_6aza 1 . 11 . 2679 . 1 1 4 THR CB C 7.468 1.387 -6.984 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30342_6aza 1 . 11 . 2680 . 1 1 4 THR CG2 C 7.052 1.328 -8.446 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30342_6aza 1 . 11 . 2681 . 1 1 4 THR H H 5.160 2.702 -7.295 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30342_6aza 1 . 11 . 2682 . 1 1 4 THR HA H 7.304 2.700 -5.301 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30342_6aza 1 . 11 . 2683 . 1 1 4 THR HB H 6.975 0.588 -6.451 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30342_6aza 1 . 11 . 2684 . 1 1 4 THR HG1 H 9.172 0.535 -7.496 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30342_6aza 1 . 11 . 2685 . 1 1 4 THR HG21 H 7.922 1.157 -9.062 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30342_6aza 1 . 11 . 2686 . 1 1 4 THR HG22 H 6.590 2.261 -8.728 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30342_6aza 1 . 11 . 2687 . 1 1 4 THR HG23 H 6.348 0.520 -8.587 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30342_6aza 1 . 11 . 2688 . 1 1 4 THR N N 5.618 2.950 -6.466 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30342_6aza 1 . 11 . 2689 . 1 1 4 THR O O 7.348 4.504 -7.940 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30342_6aza 1 . 11 . 2690 . 1 1 4 THR OG1 O 8.885 1.212 -6.880 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30342_6aza 1 . 11 . 2691 . 1 1 5 CYS C C 10.717 4.608 -8.273 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30342_6aza 1 . 11 . 2692 . 1 1 5 CYS CA C 9.911 5.128 -7.087 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30342_6aza 1 . 11 . 2693 . 1 1 5 CYS CB C 10.856 5.662 -6.009 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30342_6aza 1 . 11 . 2694 . 1 1 5 CYS H H 9.393 3.529 -5.801 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30342_6aza 1 . 11 . 2695 . 1 1 5 CYS HA H 9.275 5.932 -7.425 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30342_6aza 1 . 11 . 2696 . 1 1 5 CYS HB2 H 11.459 6.454 -6.429 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30342_6aza 1 . 11 . 2697 . 1 1 5 CYS HB3 H 10.271 6.056 -5.192 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30342_6aza 1 . 11 . 2698 . 1 1 5 CYS N N 9.058 4.080 -6.539 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30342_6aza 1 . 11 . 2699 . 1 1 5 CYS O O 10.758 3.405 -8.531 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30342_6aza 1 . 11 . 2700 . 1 1 5 CYS SG S 11.989 4.408 -5.327 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30342_6aza 1 . 11 . 2701 . 1 1 6 SER C C 13.482 4.525 -9.725 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . c30342_6aza 1 . 11 . 2702 . 1 1 6 SER CA C 12.162 5.157 -10.154 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . c30342_6aza 1 . 11 . 2703 . 1 1 6 SER CB C 12.432 6.389 -11.021 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . c30342_6aza 1 . 11 . 2704 . 1 1 6 SER H H 11.289 6.467 -8.738 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . c30342_6aza 1 . 11 . 2705 . 1 1 6 SER HA H 11.603 4.438 -10.731 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . c30342_6aza 1 . 11 . 2706 . 1 1 6 SER HB2 H 12.743 7.210 -10.392 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . c30342_6aza 1 . 11 . 2707 . 1 1 6 SER HB3 H 13.215 6.161 -11.730 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . c30342_6aza 1 . 11 . 2708 . 1 1 6 SER HG H 11.407 7.642 -12.126 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . c30342_6aza 1 . 11 . 2709 . 1 1 6 SER N N 11.359 5.524 -8.993 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . c30342_6aza 1 . 11 . 2710 . 1 1 6 SER O O 13.836 4.538 -8.545 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . c30342_6aza 1 . 11 . 2711 . 1 1 6 SER OG O 11.269 6.775 -11.733 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . c30342_6aza 1 . 11 . 2712 . 1 1 7 LYS C C 16.573 4.377 -10.165 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30342_6aza 1 . 11 . 2713 . 1 1 7 LYS CA C 15.490 3.334 -10.415 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30342_6aza 1 . 11 . 2714 . 1 1 7 LYS CB C 15.895 2.431 -11.584 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30342_6aza 1 . 11 . 2715 . 1 1 7 LYS CD C 15.827 0.129 -12.586 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30342_6aza 1 . 11 . 2716 . 1 1 7 LYS CE C 15.077 -1.193 -12.643 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30342_6aza 1 . 11 . 2717 . 1 1 7 LYS CG C 15.205 1.079 -11.576 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30342_6aza 1 . 11 . 2718 . 1 1 7 LYS H H 13.872 3.991 -11.612 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30342_6aza 1 . 11 . 2719 . 1 1 7 LYS HA H 15.376 2.729 -9.528 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30342_6aza 1 . 11 . 2720 . 1 1 7 LYS HB2 H 15.652 2.932 -12.509 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30342_6aza 1 . 11 . 2721 . 1 1 7 LYS HB3 H 16.962 2.267 -11.541 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30342_6aza 1 . 11 . 2722 . 1 1 7 LYS HD2 H 15.799 0.589 -13.562 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30342_6aza 1 . 11 . 2723 . 1 1 7 LYS HD3 H 16.853 -0.060 -12.304 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30342_6aza 1 . 11 . 2724 . 1 1 7 LYS HE2 H 15.029 -1.608 -11.648 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30342_6aza 1 . 11 . 2725 . 1 1 7 LYS HE3 H 14.077 -1.009 -13.005 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30342_6aza 1 . 11 . 2726 . 1 1 7 LYS HG2 H 15.291 0.647 -10.590 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30342_6aza 1 . 11 . 2727 . 1 1 7 LYS HG3 H 14.161 1.217 -11.820 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30342_6aza 1 . 11 . 2728 . 1 1 7 LYS HZ1 H 16.546 -2.620 -13.053 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 11 . 2729 . 1 1 7 LYS HZ2 H 16.103 -1.689 -14.394 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 11 . 2730 . 1 1 7 LYS HZ3 H 15.074 -2.909 -13.833 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 11 . 2731 . 1 1 7 LYS N N 14.208 3.972 -10.690 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30342_6aza 1 . 11 . 2732 . 1 1 7 LYS NZ N 15.746 -2.171 -13.544 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30342_6aza 1 . 11 . 2733 . 1 1 7 LYS O O 17.028 5.048 -11.090 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30342_6aza 1 . 11 . 2734 . 1 1 8 GLY C C 17.437 6.765 -8.024 . . . 1.0 . . . . . . . . . . . . A . 8 GLY C . . . . . . . . . c30342_6aza 1 . 11 . 2735 . 1 1 8 GLY CA C 18.014 5.468 -8.558 . . . 1.0 . . . . . . . . . . . . A . 8 GLY CA . . . . . . . . . c30342_6aza 1 . 11 . 2736 . 1 1 8 GLY H H 16.587 3.944 -8.210 . . . 1.0 . . . . . . . . . . . . A . 8 GLY H . . . . . . . . . c30342_6aza 1 . 11 . 2737 . 1 1 8 GLY HA2 H 18.657 5.036 -7.807 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA2 . . . . . . . . . c30342_6aza 1 . 11 . 2738 . 1 1 8 GLY HA3 H 18.601 5.686 -9.438 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA3 . . . . . . . . . c30342_6aza 1 . 11 . 2739 . 1 1 8 GLY N N 16.985 4.507 -8.906 . . . 1.0 . . . . . . . . . . . . A . 8 GLY N . . . . . . . . . c30342_6aza 1 . 11 . 2740 . 1 1 8 GLY O O 18.086 7.467 -7.247 . . . 1.0 . . . . . . . . . . . . A . 8 GLY O . . . . . . . . . c30342_6aza 1 . 11 . 2741 . 1 1 9 ARG C C 14.330 7.985 -7.149 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c30342_6aza 1 . 11 . 2742 . 1 1 9 ARG CA C 15.555 8.307 -8.001 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c30342_6aza 1 . 11 . 2743 . 1 1 9 ARG CB C 15.142 9.151 -9.207 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c30342_6aza 1 . 11 . 2744 . 1 1 9 ARG CD C 15.927 10.451 -11.210 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c30342_6aza 1 . 11 . 2745 . 1 1 9 ARG CG C 16.291 9.927 -9.830 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c30342_6aza 1 . 11 . 2746 . 1 1 9 ARG CZ C 14.279 11.960 -12.239 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c30342_6aza 1 . 11 . 2747 . 1 1 9 ARG H H 15.751 6.485 -9.060 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c30342_6aza 1 . 11 . 2748 . 1 1 9 ARG HA H 16.258 8.869 -7.403 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c30342_6aza 1 . 11 . 2749 . 1 1 9 ARG HB2 H 14.726 8.500 -9.962 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c30342_6aza 1 . 11 . 2750 . 1 1 9 ARG HB3 H 14.386 9.857 -8.897 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c30342_6aza 1 . 11 . 2751 . 1 1 9 ARG HD2 H 16.784 10.957 -11.627 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c30342_6aza 1 . 11 . 2752 . 1 1 9 ARG HD3 H 15.661 9.616 -11.840 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c30342_6aza 1 . 11 . 2753 . 1 1 9 ARG HE H 14.422 11.592 -10.284 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c30342_6aza 1 . 11 . 2754 . 1 1 9 ARG HG2 H 16.536 10.764 -9.193 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c30342_6aza 1 . 11 . 2755 . 1 1 9 ARG HG3 H 17.148 9.275 -9.917 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c30342_6aza 1 . 11 . 2756 . 1 1 9 ARG HH11 H 15.543 11.067 -13.538 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c30342_6aza 1 . 11 . 2757 . 1 1 9 ARG HH12 H 14.376 12.131 -14.251 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c30342_6aza 1 . 11 . 2758 . 1 1 9 ARG HH21 H 12.882 12.996 -11.210 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c30342_6aza 1 . 11 . 2759 . 1 1 9 ARG HH22 H 12.865 13.229 -12.925 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c30342_6aza 1 . 11 . 2760 . 1 1 9 ARG N N 16.217 7.085 -8.441 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c30342_6aza 1 . 11 . 2761 . 1 1 9 ARG NE N 14.803 11.384 -11.162 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c30342_6aza 1 . 11 . 2762 . 1 1 9 ARG NH1 N 14.774 11.699 -13.441 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c30342_6aza 1 . 11 . 2763 . 1 1 9 ARG NH2 N 13.259 12.797 -12.114 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c30342_6aza 1 . 11 . 2764 . 1 1 9 ARG O O 13.356 7.409 -7.635 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c30342_6aza 1 . 11 . 2765 . 1 1 10 CYS C C 13.116 9.275 -3.981 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30342_6aza 1 . 11 . 2766 . 1 1 10 CYS CA C 13.285 8.113 -4.954 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30342_6aza 1 . 11 . 2767 . 1 1 10 CYS CB C 13.523 6.815 -4.180 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30342_6aza 1 . 11 . 2768 . 1 1 10 CYS H H 15.191 8.816 -5.546 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30342_6aza 1 . 11 . 2769 . 1 1 10 CYS HA H 12.382 8.012 -5.537 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30342_6aza 1 . 11 . 2770 . 1 1 10 CYS HB2 H 14.411 6.926 -3.572 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30342_6aza 1 . 11 . 2771 . 1 1 10 CYS HB3 H 12.676 6.628 -3.537 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30342_6aza 1 . 11 . 2772 . 1 1 10 CYS N N 14.386 8.361 -5.875 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30342_6aza 1 . 11 . 2773 . 1 1 10 CYS O O 14.097 9.842 -3.498 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30342_6aza 1 . 11 . 2774 . 1 1 10 CYS SG S 13.755 5.349 -5.235 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30342_6aza 1 . 11 . 2775 . 1 1 11 ARG C C 10.221 10.510 -2.101 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . c30342_6aza 1 . 11 . 2776 . 1 1 11 ARG CA C 11.568 10.723 -2.787 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . c30342_6aza 1 . 11 . 2777 . 1 1 11 ARG CB C 11.563 12.055 -3.538 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . c30342_6aza 1 . 11 . 2778 . 1 1 11 ARG CD C 12.885 13.993 -4.441 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . c30342_6aza 1 . 11 . 2779 . 1 1 11 ARG CG C 12.929 12.715 -3.618 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . c30342_6aza 1 . 11 . 2780 . 1 1 11 ARG CZ C 11.472 16.002 -4.549 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . c30342_6aza 1 . 11 . 2781 . 1 1 11 ARG H H 11.126 9.138 -4.117 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . c30342_6aza 1 . 11 . 2782 . 1 1 11 ARG HA H 12.341 10.748 -2.034 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . c30342_6aza 1 . 11 . 2783 . 1 1 11 ARG HB2 H 11.210 11.887 -4.546 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . c30342_6aza 1 . 11 . 2784 . 1 1 11 ARG HB3 H 10.887 12.735 -3.039 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . c30342_6aza 1 . 11 . 2785 . 1 1 11 ARG HD2 H 13.880 14.410 -4.490 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . c30342_6aza 1 . 11 . 2786 . 1 1 11 ARG HD3 H 12.548 13.751 -5.438 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . c30342_6aza 1 . 11 . 2787 . 1 1 11 ARG HE H 11.748 14.888 -2.918 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . c30342_6aza 1 . 11 . 2788 . 1 1 11 ARG HG2 H 13.262 12.956 -2.618 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . c30342_6aza 1 . 11 . 2789 . 1 1 11 ARG HG3 H 13.625 12.027 -4.075 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . c30342_6aza 1 . 11 . 2790 . 1 1 11 ARG HH11 H 12.386 15.511 -6.282 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . c30342_6aza 1 . 11 . 2791 . 1 1 11 ARG HH12 H 11.386 16.925 -6.345 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . c30342_6aza 1 . 11 . 2792 . 1 1 11 ARG HH21 H 10.429 16.749 -2.986 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . c30342_6aza 1 . 11 . 2793 . 1 1 11 ARG HH22 H 10.275 17.629 -4.469 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . c30342_6aza 1 . 11 . 2794 . 1 1 11 ARG N N 11.865 9.628 -3.700 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . c30342_6aza 1 . 11 . 2795 . 1 1 11 ARG NE N 11.983 14.985 -3.864 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . c30342_6aza 1 . 11 . 2796 . 1 1 11 ARG NH1 N 11.774 16.160 -5.830 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . c30342_6aza 1 . 11 . 2797 . 1 1 11 ARG NH2 N 10.659 16.864 -3.952 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . c30342_6aza 1 . 11 . 2798 . 1 1 11 ARG O O 9.377 9.741 -2.563 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . c30342_6aza 1 . 11 . 2799 . 1 1 12 PRO C C 7.590 11.740 -0.921 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . c30342_6aza 1 . 11 . 2800 . 1 1 12 PRO CA C 8.772 11.107 -0.199 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . c30342_6aza 1 . 11 . 2801 . 1 1 12 PRO CB C 9.092 11.877 1.084 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . c30342_6aza 1 . 11 . 2802 . 1 1 12 PRO CD C 10.978 12.137 -0.363 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . c30342_6aza 1 . 11 . 2803 . 1 1 12 PRO CG C 10.165 12.833 0.694 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . c30342_6aza 1 . 11 . 2804 . 1 1 12 PRO HA H 8.537 10.081 0.045 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . c30342_6aza 1 . 11 . 2805 . 1 1 12 PRO HB2 H 8.206 12.394 1.427 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . c30342_6aza 1 . 11 . 2806 . 1 1 12 PRO HB3 H 9.433 11.191 1.845 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . c30342_6aza 1 . 11 . 2807 . 1 1 12 PRO HD2 H 11.338 12.847 -1.090 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . c30342_6aza 1 . 11 . 2808 . 1 1 12 PRO HD3 H 11.802 11.602 0.085 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . c30342_6aza 1 . 11 . 2809 . 1 1 12 PRO HG2 H 9.727 13.735 0.296 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . c30342_6aza 1 . 11 . 2810 . 1 1 12 PRO HG3 H 10.783 13.062 1.550 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . c30342_6aza 1 . 11 . 2811 . 1 1 12 PRO N N 10.015 11.203 -0.971 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . c30342_6aza 1 . 11 . 2812 . 1 1 12 PRO O O 7.731 12.768 -1.585 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . c30342_6aza 1 . 11 . 2813 . 1 1 13 LYS C C 4.585 12.746 -0.599 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c30342_6aza 1 . 11 . 2814 . 1 1 13 LYS CA C 5.210 11.626 -1.425 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c30342_6aza 1 . 11 . 2815 . 1 1 13 LYS CB C 4.199 10.494 -1.617 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c30342_6aza 1 . 11 . 2816 . 1 1 13 LYS CD C 4.079 10.270 -4.115 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c30342_6aza 1 . 11 . 2817 . 1 1 13 LYS CE C 4.742 9.611 -5.315 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c30342_6aza 1 . 11 . 2818 . 1 1 13 LYS CG C 4.498 9.607 -2.814 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c30342_6aza 1 . 11 . 2819 . 1 1 13 LYS H H 6.371 10.307 -0.245 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c30342_6aza 1 . 11 . 2820 . 1 1 13 LYS HA H 5.485 12.020 -2.393 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c30342_6aza 1 . 11 . 2821 . 1 1 13 LYS HB2 H 4.197 9.877 -0.730 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c30342_6aza 1 . 11 . 2822 . 1 1 13 LYS HB3 H 3.216 10.924 -1.749 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c30342_6aza 1 . 11 . 2823 . 1 1 13 LYS HD2 H 3.007 10.190 -4.223 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c30342_6aza 1 . 11 . 2824 . 1 1 13 LYS HD3 H 4.363 11.313 -4.086 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c30342_6aza 1 . 11 . 2825 . 1 1 13 LYS HE2 H 5.808 9.579 -5.149 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c30342_6aza 1 . 11 . 2826 . 1 1 13 LYS HE3 H 4.363 8.604 -5.411 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c30342_6aza 1 . 11 . 2827 . 1 1 13 LYS HG2 H 5.558 9.409 -2.849 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c30342_6aza 1 . 11 . 2828 . 1 1 13 LYS HG3 H 3.959 8.677 -2.705 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c30342_6aza 1 . 11 . 2829 . 1 1 13 LYS HZ1 H 3.446 10.463 -6.714 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 11 . 2830 . 1 1 13 LYS HZ2 H 4.864 9.834 -7.388 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 11 . 2831 . 1 1 13 LYS HZ3 H 4.907 11.297 -6.537 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 11 . 2832 . 1 1 13 LYS N N 6.421 11.122 -0.787 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c30342_6aza 1 . 11 . 2833 . 1 1 13 LYS NZ N 4.472 10.354 -6.577 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c30342_6aza 1 . 11 . 2834 . 1 1 13 LYS O O 4.814 12.863 0.605 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c30342_6aza 1 . 11 . 2835 . 1 1 14 PRO C C 2.005 14.250 0.354 . . . 1.0 . . . . . . . . . . . . A . 14 PRO C . . . . . . . . . c30342_6aza 1 . 11 . 2836 . 1 1 14 PRO CA C 3.099 14.711 -0.602 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CA . . . . . . . . . c30342_6aza 1 . 11 . 2837 . 1 1 14 PRO CB C 2.494 15.493 -1.772 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CB . . . . . . . . . c30342_6aza 1 . 11 . 2838 . 1 1 14 PRO CD C 3.456 13.507 -2.693 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CD . . . . . . . . . c30342_6aza 1 . 11 . 2839 . 1 1 14 PRO CG C 2.323 14.482 -2.853 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CG . . . . . . . . . c30342_6aza 1 . 11 . 2840 . 1 1 14 PRO HA H 3.798 15.341 -0.070 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HA . . . . . . . . . c30342_6aza 1 . 11 . 2841 . 1 1 14 PRO HB2 H 1.545 15.916 -1.471 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB2 . . . . . . . . . c30342_6aza 1 . 11 . 2842 . 1 1 14 PRO HB3 H 3.169 16.280 -2.070 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB3 . . . . . . . . . c30342_6aza 1 . 11 . 2843 . 1 1 14 PRO HD2 H 3.138 12.511 -2.962 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD2 . . . . . . . . . c30342_6aza 1 . 11 . 2844 . 1 1 14 PRO HD3 H 4.302 13.811 -3.293 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD3 . . . . . . . . . c30342_6aza 1 . 11 . 2845 . 1 1 14 PRO HG2 H 1.375 13.977 -2.738 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG2 . . . . . . . . . c30342_6aza 1 . 11 . 2846 . 1 1 14 PRO HG3 H 2.377 14.965 -3.818 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG3 . . . . . . . . . c30342_6aza 1 . 11 . 2847 . 1 1 14 PRO N N 3.775 13.587 -1.257 . . . 1.0 . . . . . . . . . . . . A . 14 PRO N . . . . . . . . . c30342_6aza 1 . 11 . 2848 . 1 1 14 PRO O O 1.850 14.798 1.444 . . . 1.0 . . . . . . . . . . . . A . 14 PRO O . . . . . . . . . c30342_6aza 1 . 11 . 2849 . 1 1 15 ASN C C 0.566 11.373 1.384 . . . 1.0 . . . . . . . . . . . . A . 15 ASN C . . . . . . . . . c30342_6aza 1 . 11 . 2850 . 1 1 15 ASN CA C 0.168 12.706 0.758 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CA . . . . . . . . . c30342_6aza 1 . 11 . 2851 . 1 1 15 ASN CB C -1.099 12.529 -0.082 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CB . . . . . . . . . c30342_6aza 1 . 11 . 2852 . 1 1 15 ASN CG C -2.260 11.987 0.731 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CG . . . . . . . . . c30342_6aza 1 . 11 . 2853 . 1 1 15 ASN H H 1.419 12.844 -0.942 . . . 1.0 . . . . . . . . . . . . A . 15 ASN H . . . . . . . . . c30342_6aza 1 . 11 . 2854 . 1 1 15 ASN HA H -0.032 13.415 1.548 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HA . . . . . . . . . c30342_6aza 1 . 11 . 2855 . 1 1 15 ASN HB2 H -1.389 13.486 -0.492 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB2 . . . . . . . . . c30342_6aza 1 . 11 . 2856 . 1 1 15 ASN HB3 H -0.897 11.842 -0.889 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB3 . . . . . . . . . c30342_6aza 1 . 11 . 2857 . 1 1 15 ASN HD21 H -2.055 13.457 2.052 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD21 . . . . . . . . . c30342_6aza 1 . 11 . 2858 . 1 1 15 ASN HD22 H -3.324 12.331 2.374 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD22 . . . . . . . . . c30342_6aza 1 . 11 . 2859 . 1 1 15 ASN N N 1.248 13.240 -0.062 . . . 1.0 . . . . . . . . . . . . A . 15 ASN N . . . . . . . . . c30342_6aza 1 . 11 . 2860 . 1 1 15 ASN ND2 N -2.579 12.659 1.829 . . . 1.0 . . . . . . . . . . . . A . 15 ASN ND2 . . . . . . . . . c30342_6aza 1 . 11 . 2861 . 1 1 15 ASN O O 0.087 11.010 2.458 . . . 1.0 . . . . . . . . . . . . A . 15 ASN O . . . . . . . . . c30342_6aza 1 . 11 . 2862 . 1 1 15 ASN OD1 O -2.863 10.974 0.372 . . . 1.0 . . . . . . . . . . . . A . 15 ASN OD1 . . . . . . . . . c30342_6aza 1 . 11 . 2863 . 1 1 16 CYS C C 3.337 9.458 1.734 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c30342_6aza 1 . 11 . 2864 . 1 1 16 CYS CA C 1.915 9.356 1.193 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c30342_6aza 1 . 11 . 2865 . 1 1 16 CYS CB C 1.857 8.313 0.073 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c30342_6aza 1 . 11 . 2866 . 1 1 16 CYS H H 1.796 10.991 -0.146 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c30342_6aza 1 . 11 . 2867 . 1 1 16 CYS HA H 1.260 9.047 1.993 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c30342_6aza 1 . 11 . 2868 . 1 1 16 CYS HB2 H 0.943 8.449 -0.488 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c30342_6aza 1 . 11 . 2869 . 1 1 16 CYS HB3 H 2.701 8.457 -0.586 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c30342_6aza 1 . 11 . 2870 . 1 1 16 CYS N N 1.449 10.648 0.704 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c30342_6aza 1 . 11 . 2871 . 1 1 16 CYS O O 4.234 8.741 1.293 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c30342_6aza 1 . 11 . 2872 . 1 1 16 CYS SG S 1.894 6.589 0.659 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c30342_6aza 1 . 11 . 2873 . 1 1 17 GLY C C 5.102 9.601 4.444 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c30342_6aza 1 . 11 . 2874 . 1 1 17 GLY CA C 4.851 10.538 3.279 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c30342_6aza 1 . 11 . 2875 . 1 1 17 GLY H H 2.783 10.902 3.004 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c30342_6aza 1 . 11 . 2876 . 1 1 17 GLY HA2 H 5.599 10.360 2.521 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c30342_6aza 1 . 11 . 2877 . 1 1 17 GLY HA3 H 4.941 11.556 3.627 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c30342_6aza 1 . 11 . 2878 . 1 1 17 GLY N N 3.536 10.357 2.693 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c30342_6aza 1 . 11 . 2879 . 1 1 17 GLY O O 6.195 9.054 4.585 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c30342_6aza 1 . 11 . 2880 . 1 1 18 NH2 HN1 H 3.238 9.879 5.114 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . c30342_6aza 1 . 11 . 2881 . 1 1 18 NH2 HN2 H 4.165 8.813 6.075 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . c30342_6aza 1 . 11 . 2882 . 1 1 18 NH2 N N 4.086 9.415 5.280 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . c30342_6aza 1 . 12 . 2883 . 1 1 1 ARG C C 5.891 3.277 0.232 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30342_6aza 1 . 12 . 2884 . 1 1 1 ARG CA C 7.339 3.662 0.523 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30342_6aza 1 . 12 . 2885 . 1 1 1 ARG CB C 7.378 4.852 1.485 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30342_6aza 1 . 12 . 2886 . 1 1 1 ARG CD C 8.452 3.938 3.564 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30342_6aza 1 . 12 . 2887 . 1 1 1 ARG CG C 7.170 4.466 2.941 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30342_6aza 1 . 12 . 2888 . 1 1 1 ARG CZ C 8.973 5.648 5.252 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30342_6aza 1 . 12 . 2889 . 1 1 1 ARG H1 H 8.267 4.918 -0.905 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30342_6aza 1 . 12 . 2890 . 1 1 1 ARG HA H 7.836 2.822 0.984 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30342_6aza 1 . 12 . 2891 . 1 1 1 ARG HB2 H 8.338 5.339 1.399 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30342_6aza 1 . 12 . 2892 . 1 1 1 ARG HB3 H 6.603 5.550 1.206 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30342_6aza 1 . 12 . 2893 . 1 1 1 ARG HD2 H 8.195 3.245 4.352 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30342_6aza 1 . 12 . 2894 . 1 1 1 ARG HD3 H 9.022 3.423 2.806 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30342_6aza 1 . 12 . 2895 . 1 1 1 ARG HE H 10.080 5.267 3.637 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30342_6aza 1 . 12 . 2896 . 1 1 1 ARG HG2 H 6.846 5.336 3.491 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30342_6aza 1 . 12 . 2897 . 1 1 1 ARG HG3 H 6.411 3.700 2.995 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30342_6aza 1 . 12 . 2898 . 1 1 1 ARG HH11 H 7.283 4.596 5.601 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30342_6aza 1 . 12 . 2899 . 1 1 1 ARG HH12 H 7.663 5.804 6.783 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30342_6aza 1 . 12 . 2900 . 1 1 1 ARG HH21 H 10.589 6.862 5.188 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30342_6aza 1 . 12 . 2901 . 1 1 1 ARG HH22 H 9.541 7.093 6.546 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30342_6aza 1 . 12 . 2902 . 1 1 1 ARG N N 8.049 3.983 -0.708 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30342_6aza 1 . 12 . 2903 . 1 1 1 ARG NE N 9.270 5.010 4.126 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30342_6aza 1 . 12 . 2904 . 1 1 1 ARG NH1 N 7.882 5.323 5.934 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30342_6aza 1 . 12 . 2905 . 1 1 1 ARG NH2 N 9.766 6.614 5.699 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30342_6aza 1 . 12 . 2906 . 1 1 1 ARG O O 5.397 2.261 0.721 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30342_6aza 1 . 12 . 2907 . 1 1 2 CYS C C 3.724 3.243 -2.323 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c30342_6aza 1 . 12 . 2908 . 1 1 2 CYS CA C 3.826 3.843 -0.924 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c30342_6aza 1 . 12 . 2909 . 1 1 2 CYS CB C 3.016 5.140 -0.853 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c30342_6aza 1 . 12 . 2910 . 1 1 2 CYS H H 5.665 4.891 -0.926 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c30342_6aza 1 . 12 . 2911 . 1 1 2 CYS HA H 3.424 3.139 -0.212 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c30342_6aza 1 . 12 . 2912 . 1 1 2 CYS HB2 H 3.337 5.799 -1.646 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c30342_6aza 1 . 12 . 2913 . 1 1 2 CYS HB3 H 1.969 4.909 -0.987 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c30342_6aza 1 . 12 . 2914 . 1 1 2 CYS N N 5.216 4.097 -0.567 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c30342_6aza 1 . 12 . 2915 . 1 1 2 CYS O O 3.278 2.108 -2.491 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c30342_6aza 1 . 12 . 2916 . 1 1 2 CYS SG S 3.189 6.041 0.720 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c30342_6aza 1 . 12 . 2917 . 1 1 3 LYS C C 5.505 3.421 -5.279 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . c30342_6aza 1 . 12 . 2918 . 1 1 3 LYS CA C 4.098 3.557 -4.708 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . c30342_6aza 1 . 12 . 2919 . 1 1 3 LYS CB C 3.280 4.529 -5.561 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . c30342_6aza 1 . 12 . 2920 . 1 1 3 LYS CD C 1.488 2.974 -6.381 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . c30342_6aza 1 . 12 . 2921 . 1 1 3 LYS CE C 0.180 3.744 -6.284 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . c30342_6aza 1 . 12 . 2922 . 1 1 3 LYS CG C 2.640 3.882 -6.777 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . c30342_6aza 1 . 12 . 2923 . 1 1 3 LYS H H 4.485 4.909 -3.125 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . c30342_6aza 1 . 12 . 2924 . 1 1 3 LYS HA H 3.621 2.588 -4.723 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . c30342_6aza 1 . 12 . 2925 . 1 1 3 LYS HB2 H 2.497 4.955 -4.951 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . c30342_6aza 1 . 12 . 2926 . 1 1 3 LYS HB3 H 3.929 5.322 -5.902 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . c30342_6aza 1 . 12 . 2927 . 1 1 3 LYS HD2 H 1.380 2.197 -7.125 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . c30342_6aza 1 . 12 . 2928 . 1 1 3 LYS HD3 H 1.705 2.527 -5.422 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . c30342_6aza 1 . 12 . 2929 . 1 1 3 LYS HE2 H -0.578 3.092 -5.876 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . c30342_6aza 1 . 12 . 2930 . 1 1 3 LYS HE3 H 0.321 4.587 -5.625 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . c30342_6aza 1 . 12 . 2931 . 1 1 3 LYS HG2 H 2.267 4.655 -7.431 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . c30342_6aza 1 . 12 . 2932 . 1 1 3 LYS HG3 H 3.386 3.297 -7.296 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . c30342_6aza 1 . 12 . 2933 . 1 1 3 LYS HZ1 H -0.163 3.491 -8.329 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 12 . 2934 . 1 1 3 LYS HZ2 H 0.293 5.062 -7.900 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 12 . 2935 . 1 1 3 LYS HZ3 H -1.273 4.518 -7.570 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 12 . 2936 . 1 1 3 LYS N N 4.140 4.012 -3.323 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . c30342_6aza 1 . 12 . 2937 . 1 1 3 LYS NZ N -0.274 4.239 -7.614 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . c30342_6aza 1 . 12 . 2938 . 1 1 3 LYS O O 6.451 4.037 -4.783 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . c30342_6aza 1 . 12 . 2939 . 1 1 4 THR C C 7.576 3.720 -7.362 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30342_6aza 1 . 12 . 2940 . 1 1 4 THR CA C 6.931 2.397 -6.965 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30342_6aza 1 . 12 . 2941 . 1 1 4 THR CB C 6.798 1.508 -8.215 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30342_6aza 1 . 12 . 2942 . 1 1 4 THR CG2 C 8.134 0.874 -8.574 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30342_6aza 1 . 12 . 2943 . 1 1 4 THR H H 4.850 2.150 -6.674 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30342_6aza 1 . 12 . 2944 . 1 1 4 THR HA H 7.574 1.893 -6.257 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30342_6aza 1 . 12 . 2945 . 1 1 4 THR HB H 6.475 2.123 -9.043 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30342_6aza 1 . 12 . 2946 . 1 1 4 THR HG1 H 5.869 -0.164 -8.694 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30342_6aza 1 . 12 . 2947 . 1 1 4 THR HG21 H 7.974 0.066 -9.270 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30342_6aza 1 . 12 . 2948 . 1 1 4 THR HG22 H 8.601 0.491 -7.679 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30342_6aza 1 . 12 . 2949 . 1 1 4 THR HG23 H 8.775 1.616 -9.025 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30342_6aza 1 . 12 . 2950 . 1 1 4 THR N N 5.639 2.613 -6.326 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30342_6aza 1 . 12 . 2951 . 1 1 4 THR O O 6.884 4.693 -7.665 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30342_6aza 1 . 12 . 2952 . 1 1 4 THR OG1 O 5.824 0.483 -7.986 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30342_6aza 1 . 12 . 2953 . 1 1 5 CYS C C 10.581 4.686 -8.893 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30342_6aza 1 . 12 . 2954 . 1 1 5 CYS CA C 9.644 4.954 -7.718 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30342_6aza 1 . 12 . 2955 . 1 1 5 CYS CB C 10.444 5.464 -6.520 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30342_6aza 1 . 12 . 2956 . 1 1 5 CYS H H 9.401 2.943 -7.107 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30342_6aza 1 . 12 . 2957 . 1 1 5 CYS HA H 8.928 5.708 -8.011 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30342_6aza 1 . 12 . 2958 . 1 1 5 CYS HB2 H 11.138 6.221 -6.854 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30342_6aza 1 . 12 . 2959 . 1 1 5 CYS HB3 H 9.764 5.900 -5.802 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30342_6aza 1 . 12 . 2960 . 1 1 5 CYS N N 8.904 3.750 -7.359 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30342_6aza 1 . 12 . 2961 . 1 1 5 CYS O O 10.796 3.537 -9.279 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30342_6aza 1 . 12 . 2962 . 1 1 5 CYS SG S 11.404 4.174 -5.663 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30342_6aza 1 . 12 . 2963 . 1 1 6 SER C C 13.348 4.954 -10.169 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . c30342_6aza 1 . 12 . 2964 . 1 1 6 SER CA C 12.048 5.634 -10.587 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . c30342_6aza 1 . 12 . 2965 . 1 1 6 SER CB C 12.350 7.015 -11.174 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . c30342_6aza 1 . 12 . 2966 . 1 1 6 SER H H 10.927 6.643 -9.101 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . c30342_6aza 1 . 12 . 2967 . 1 1 6 SER HA H 11.566 5.030 -11.339 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . c30342_6aza 1 . 12 . 2968 . 1 1 6 SER HB2 H 11.452 7.615 -11.155 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . c30342_6aza 1 . 12 . 2969 . 1 1 6 SER HB3 H 13.115 7.496 -10.583 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . c30342_6aza 1 . 12 . 2970 . 1 1 6 SER HG H 13.752 7.051 -12.541 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . c30342_6aza 1 . 12 . 2971 . 1 1 6 SER N N 11.137 5.755 -9.455 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . c30342_6aza 1 . 12 . 2972 . 1 1 6 SER O O 13.601 4.747 -8.981 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . c30342_6aza 1 . 12 . 2973 . 1 1 6 SER OG O 12.802 6.913 -12.512 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . c30342_6aza 1 . 12 . 2974 . 1 1 7 LYS C C 16.492 4.957 -10.425 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30342_6aza 1 . 12 . 2975 . 1 1 7 LYS CA C 15.446 3.950 -10.890 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30342_6aza 1 . 12 . 2976 . 1 1 7 LYS CB C 15.938 3.227 -12.145 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30342_6aza 1 . 12 . 2977 . 1 1 7 LYS CD C 17.893 1.938 -13.054 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30342_6aza 1 . 12 . 2978 . 1 1 7 LYS CE C 17.157 1.281 -14.211 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30342_6aza 1 . 12 . 2979 . 1 1 7 LYS CG C 16.977 2.156 -11.862 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30342_6aza 1 . 12 . 2980 . 1 1 7 LYS H H 13.913 4.798 -12.079 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30342_6aza 1 . 12 . 2981 . 1 1 7 LYS HA H 15.288 3.225 -10.105 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30342_6aza 1 . 12 . 2982 . 1 1 7 LYS HB2 H 15.094 2.760 -12.632 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30342_6aza 1 . 12 . 2983 . 1 1 7 LYS HB3 H 16.374 3.952 -12.816 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30342_6aza 1 . 12 . 2984 . 1 1 7 LYS HD2 H 18.276 2.894 -13.383 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30342_6aza 1 . 12 . 2985 . 1 1 7 LYS HD3 H 18.716 1.304 -12.755 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30342_6aza 1 . 12 . 2986 . 1 1 7 LYS HE2 H 16.505 0.516 -13.816 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30342_6aza 1 . 12 . 2987 . 1 1 7 LYS HE3 H 16.567 2.030 -14.717 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30342_6aza 1 . 12 . 2988 . 1 1 7 LYS HG2 H 17.574 2.461 -11.015 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30342_6aza 1 . 12 . 2989 . 1 1 7 LYS HG3 H 16.473 1.227 -11.633 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30342_6aza 1 . 12 . 2990 . 1 1 7 LYS HZ1 H 18.040 1.156 -16.099 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 12 . 2991 . 1 1 7 LYS HZ2 H 17.852 -0.339 -15.332 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 12 . 2992 . 1 1 7 LYS HZ3 H 19.071 0.721 -14.831 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 12 . 2993 . 1 1 7 LYS N N 14.169 4.606 -11.153 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30342_6aza 1 . 12 . 2994 . 1 1 7 LYS NZ N 18.096 0.662 -15.186 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30342_6aza 1 . 12 . 2995 . 1 1 7 LYS O O 16.868 5.862 -11.171 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30342_6aza 1 . 12 . 2996 . 1 1 8 GLY C C 17.345 6.838 -7.864 . . . 1.0 . . . . . . . . . . . . A . 8 GLY C . . . . . . . . . c30342_6aza 1 . 12 . 2997 . 1 1 8 GLY CA C 17.958 5.697 -8.652 . . . 1.0 . . . . . . . . . . . . A . 8 GLY CA . . . . . . . . . c30342_6aza 1 . 12 . 2998 . 1 1 8 GLY H H 16.621 4.056 -8.644 . . . 1.0 . . . . . . . . . . . . A . 8 GLY H . . . . . . . . . c30342_6aza 1 . 12 . 2999 . 1 1 8 GLY HA2 H 18.618 5.139 -8.005 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA2 . . . . . . . . . c30342_6aza 1 . 12 . 3000 . 1 1 8 GLY HA3 H 18.533 6.109 -9.468 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA3 . . . . . . . . . c30342_6aza 1 . 12 . 3001 . 1 1 8 GLY N N 16.959 4.795 -9.192 . . . 1.0 . . . . . . . . . . . . A . 8 GLY N . . . . . . . . . c30342_6aza 1 . 12 . 3002 . 1 1 8 GLY O O 17.975 7.385 -6.959 . . . 1.0 . . . . . . . . . . . . A . 8 GLY O . . . . . . . . . c30342_6aza 1 . 12 . 3003 . 1 1 9 ARG C C 14.194 7.758 -6.779 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c30342_6aza 1 . 12 . 3004 . 1 1 9 ARG CA C 15.415 8.283 -7.528 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c30342_6aza 1 . 12 . 3005 . 1 1 9 ARG CB C 14.987 9.351 -8.536 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c30342_6aza 1 . 12 . 3006 . 1 1 9 ARG CD C 15.764 11.036 -10.232 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c30342_6aza 1 . 12 . 3007 . 1 1 9 ARG CG C 16.118 10.270 -8.966 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c30342_6aza 1 . 12 . 3008 . 1 1 9 ARG CZ C 17.793 12.344 -10.696 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c30342_6aza 1 . 12 . 3009 . 1 1 9 ARG H H 15.662 6.723 -8.939 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c30342_6aza 1 . 12 . 3010 . 1 1 9 ARG HA H 16.098 8.722 -6.819 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c30342_6aza 1 . 12 . 3011 . 1 1 9 ARG HB2 H 14.594 8.864 -9.416 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c30342_6aza 1 . 12 . 3012 . 1 1 9 ARG HB3 H 14.211 9.956 -8.093 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c30342_6aza 1 . 12 . 3013 . 1 1 9 ARG HD2 H 15.987 10.415 -11.087 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c30342_6aza 1 . 12 . 3014 . 1 1 9 ARG HD3 H 14.708 11.260 -10.216 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c30342_6aza 1 . 12 . 3015 . 1 1 9 ARG HE H 16.037 13.118 -10.149 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c30342_6aza 1 . 12 . 3016 . 1 1 9 ARG HG2 H 16.316 10.978 -8.175 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c30342_6aza 1 . 12 . 3017 . 1 1 9 ARG HG3 H 17.001 9.677 -9.149 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c30342_6aza 1 . 12 . 3018 . 1 1 9 ARG HH11 H 18.002 10.346 -10.909 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c30342_6aza 1 . 12 . 3019 . 1 1 9 ARG HH12 H 19.426 11.280 -11.233 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c30342_6aza 1 . 12 . 3020 . 1 1 9 ARG HH21 H 17.904 14.358 -10.572 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c30342_6aza 1 . 12 . 3021 . 1 1 9 ARG HH22 H 19.368 13.562 -11.041 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c30342_6aza 1 . 12 . 3022 . 1 1 9 ARG N N 16.113 7.197 -8.210 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c30342_6aza 1 . 12 . 3023 . 1 1 9 ARG NE N 16.512 12.285 -10.345 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c30342_6aza 1 . 12 . 3024 . 1 1 9 ARG NH1 N 18.461 11.233 -10.968 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c30342_6aza 1 . 12 . 3025 . 1 1 9 ARG NH2 N 18.405 13.518 -10.777 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c30342_6aza 1 . 12 . 3026 . 1 1 9 ARG O O 13.251 7.249 -7.384 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c30342_6aza 1 . 12 . 3027 . 1 1 10 CYS C C 12.913 8.353 -3.428 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30342_6aza 1 . 12 . 3028 . 1 1 10 CYS CA C 13.117 7.424 -4.621 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30342_6aza 1 . 12 . 3029 . 1 1 10 CYS CB C 13.382 5.999 -4.131 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30342_6aza 1 . 12 . 3030 . 1 1 10 CYS H H 15.001 8.301 -5.030 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30342_6aza 1 . 12 . 3031 . 1 1 10 CYS HA H 12.222 7.428 -5.224 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30342_6aza 1 . 12 . 3032 . 1 1 10 CYS HB2 H 13.955 5.471 -4.880 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30342_6aza 1 . 12 . 3033 . 1 1 10 CYS HB3 H 13.950 6.040 -3.214 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30342_6aza 1 . 12 . 3034 . 1 1 10 CYS N N 14.220 7.886 -5.456 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30342_6aza 1 . 12 . 3035 . 1 1 10 CYS O O 13.807 8.524 -2.601 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30342_6aza 1 . 12 . 3036 . 1 1 10 CYS SG S 11.872 5.030 -3.809 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30342_6aza 1 . 12 . 3037 . 1 1 11 ARG C C 9.933 9.754 -1.873 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . c30342_6aza 1 . 12 . 3038 . 1 1 11 ARG CA C 11.405 9.863 -2.256 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . c30342_6aza 1 . 12 . 3039 . 1 1 11 ARG CB C 11.736 11.303 -2.652 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . c30342_6aza 1 . 12 . 3040 . 1 1 11 ARG CD C 13.703 12.827 -3.002 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . c30342_6aza 1 . 12 . 3041 . 1 1 11 ARG CG C 13.053 11.805 -2.084 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . c30342_6aza 1 . 12 . 3042 . 1 1 11 ARG CZ C 13.242 14.933 -1.820 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . c30342_6aza 1 . 12 . 3043 . 1 1 11 ARG H H 11.056 8.775 -4.037 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . c30342_6aza 1 . 12 . 3044 . 1 1 11 ARG HA H 12.008 9.586 -1.404 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . c30342_6aza 1 . 12 . 3045 . 1 1 11 ARG HB2 H 11.788 11.365 -3.730 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . c30342_6aza 1 . 12 . 3046 . 1 1 11 ARG HB3 H 10.948 11.950 -2.301 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . c30342_6aza 1 . 12 . 3047 . 1 1 11 ARG HD2 H 14.577 12.383 -3.454 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . c30342_6aza 1 . 12 . 3048 . 1 1 11 ARG HD3 H 12.998 13.098 -3.775 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . c30342_6aza 1 . 12 . 3049 . 1 1 11 ARG HE H 15.061 14.179 -2.137 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . c30342_6aza 1 . 12 . 3050 . 1 1 11 ARG HG2 H 12.868 12.265 -1.124 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . c30342_6aza 1 . 12 . 3051 . 1 1 11 ARG HG3 H 13.723 10.967 -1.960 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . c30342_6aza 1 . 12 . 3052 . 1 1 11 ARG HH11 H 11.605 13.957 -2.487 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . c30342_6aza 1 . 12 . 3053 . 1 1 11 ARG HH12 H 11.292 15.443 -1.652 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . c30342_6aza 1 . 12 . 3054 . 1 1 11 ARG HH21 H 14.664 16.136 -1.035 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . c30342_6aza 1 . 12 . 3055 . 1 1 11 ARG HH22 H 13.034 16.682 -0.827 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . c30342_6aza 1 . 12 . 3056 . 1 1 11 ARG N N 11.728 8.950 -3.347 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . c30342_6aza 1 . 12 . 3057 . 1 1 11 ARG NE N 14.103 14.033 -2.282 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . c30342_6aza 1 . 12 . 3058 . 1 1 11 ARG NH1 N 11.940 14.764 -2.002 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . c30342_6aza 1 . 12 . 3059 . 1 1 11 ARG NH2 N 13.684 16.005 -1.175 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . c30342_6aza 1 . 12 . 3060 . 1 1 11 ARG O O 9.102 9.268 -2.641 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . c30342_6aza 1 . 12 . 3061 . 1 1 12 PRO C C 7.311 11.159 -0.879 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . c30342_6aza 1 . 12 . 3062 . 1 1 12 PRO CA C 8.227 10.183 -0.148 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . c30342_6aza 1 . 12 . 3063 . 1 1 12 PRO CB C 8.385 10.593 1.318 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . c30342_6aza 1 . 12 . 3064 . 1 1 12 PRO CD C 10.539 10.810 0.306 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . c30342_6aza 1 . 12 . 3065 . 1 1 12 PRO CG C 9.635 11.401 1.353 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . c30342_6aza 1 . 12 . 3066 . 1 1 12 PRO HA H 7.808 9.189 -0.202 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . c30342_6aza 1 . 12 . 3067 . 1 1 12 PRO HB2 H 7.528 11.176 1.625 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . c30342_6aza 1 . 12 . 3068 . 1 1 12 PRO HB3 H 8.466 9.711 1.935 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . c30342_6aza 1 . 12 . 3069 . 1 1 12 PRO HD2 H 11.134 11.583 -0.157 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . c30342_6aza 1 . 12 . 3070 . 1 1 12 PRO HD3 H 11.174 10.053 0.741 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . c30342_6aza 1 . 12 . 3071 . 1 1 12 PRO HG2 H 9.414 12.431 1.119 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . c30342_6aza 1 . 12 . 3072 . 1 1 12 PRO HG3 H 10.093 11.326 2.329 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . c30342_6aza 1 . 12 . 3073 . 1 1 12 PRO N N 9.601 10.217 -0.660 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . c30342_6aza 1 . 12 . 3074 . 1 1 12 PRO O O 7.724 12.261 -1.240 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . c30342_6aza 1 . 12 . 3075 . 1 1 13 LYS C C 4.506 12.628 -0.833 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c30342_6aza 1 . 12 . 3076 . 1 1 13 LYS CA C 5.091 11.586 -1.781 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c30342_6aza 1 . 12 . 3077 . 1 1 13 LYS CB C 3.968 10.725 -2.364 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c30342_6aza 1 . 12 . 3078 . 1 1 13 LYS CD C 5.553 9.394 -3.789 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c30342_6aza 1 . 12 . 3079 . 1 1 13 LYS CE C 5.803 8.795 -5.164 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c30342_6aza 1 . 12 . 3080 . 1 1 13 LYS CG C 4.265 10.201 -3.758 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c30342_6aza 1 . 12 . 3081 . 1 1 13 LYS H H 5.797 9.857 -0.783 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c30342_6aza 1 . 12 . 3082 . 1 1 13 LYS HA H 5.598 12.093 -2.587 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c30342_6aza 1 . 12 . 3083 . 1 1 13 LYS HB2 H 3.803 9.880 -1.711 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c30342_6aza 1 . 12 . 3084 . 1 1 13 LYS HB3 H 3.064 11.316 -2.410 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c30342_6aza 1 . 12 . 3085 . 1 1 13 LYS HD2 H 6.379 10.041 -3.536 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c30342_6aza 1 . 12 . 3086 . 1 1 13 LYS HD3 H 5.484 8.595 -3.065 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c30342_6aza 1 . 12 . 3087 . 1 1 13 LYS HE2 H 5.900 9.597 -5.880 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c30342_6aza 1 . 12 . 3088 . 1 1 13 LYS HE3 H 6.721 8.226 -5.133 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c30342_6aza 1 . 12 . 3089 . 1 1 13 LYS HG2 H 3.450 9.568 -4.076 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c30342_6aza 1 . 12 . 3090 . 1 1 13 LYS HG3 H 4.359 11.038 -4.435 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c30342_6aza 1 . 12 . 3091 . 1 1 13 LYS HZ1 H 4.984 7.332 -6.410 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 12 . 3092 . 1 1 13 LYS HZ2 H 3.858 8.463 -5.852 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 12 . 3093 . 1 1 13 LYS HZ3 H 4.432 7.258 -4.812 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 12 . 3094 . 1 1 13 LYS N N 6.067 10.748 -1.095 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c30342_6aza 1 . 12 . 3095 . 1 1 13 LYS NZ N 4.691 7.900 -5.589 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c30342_6aza 1 . 12 . 3096 . 1 1 13 LYS O O 4.523 12.470 0.388 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c30342_6aza 1 . 12 . 3097 . 1 1 14 PRO C C 2.062 14.394 0.028 . . . 1.0 . . . . . . . . . . . . A . 14 PRO C . . . . . . . . . c30342_6aza 1 . 12 . 3098 . 1 1 14 PRO CA C 3.374 14.807 -0.630 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CA . . . . . . . . . c30342_6aza 1 . 12 . 3099 . 1 1 14 PRO CB C 3.128 15.896 -1.678 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CB . . . . . . . . . c30342_6aza 1 . 12 . 3100 . 1 1 14 PRO CD C 3.921 13.973 -2.855 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CD . . . . . . . . . c30342_6aza 1 . 12 . 3101 . 1 1 14 PRO CG C 3.004 15.159 -2.967 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CG . . . . . . . . . c30342_6aza 1 . 12 . 3102 . 1 1 14 PRO HA H 4.053 15.179 0.124 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HA . . . . . . . . . c30342_6aza 1 . 12 . 3103 . 1 1 14 PRO HB2 H 2.218 16.429 -1.439 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB2 . . . . . . . . . c30342_6aza 1 . 12 . 3104 . 1 1 14 PRO HB3 H 3.960 16.580 -1.693 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB3 . . . . . . . . . c30342_6aza 1 . 12 . 3105 . 1 1 14 PRO HD2 H 3.507 13.125 -3.380 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD2 . . . . . . . . . c30342_6aza 1 . 12 . 3106 . 1 1 14 PRO HD3 H 4.900 14.215 -3.241 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD3 . . . . . . . . . c30342_6aza 1 . 12 . 3107 . 1 1 14 PRO HG2 H 1.985 14.833 -3.108 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG2 . . . . . . . . . c30342_6aza 1 . 12 . 3108 . 1 1 14 PRO HG3 H 3.313 15.796 -3.783 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG3 . . . . . . . . . c30342_6aza 1 . 12 . 3109 . 1 1 14 PRO N N 3.976 13.719 -1.406 . . . 1.0 . . . . . . . . . . . . A . 14 PRO N . . . . . . . . . c30342_6aza 1 . 12 . 3110 . 1 1 14 PRO O O 1.747 14.830 1.134 . . . 1.0 . . . . . . . . . . . . A . 14 PRO O . . . . . . . . . c30342_6aza 1 . 12 . 3111 . 1 1 15 ASN C C 0.206 11.811 0.689 . . . 1.0 . . . . . . . . . . . . A . 15 ASN C . . . . . . . . . c30342_6aza 1 . 12 . 3112 . 1 1 15 ASN CA C 0.023 13.077 -0.142 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CA . . . . . . . . . c30342_6aza 1 . 12 . 3113 . 1 1 15 ASN CB C -0.951 12.809 -1.293 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CB . . . . . . . . . c30342_6aza 1 . 12 . 3114 . 1 1 15 ASN CG C -0.400 11.812 -2.295 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CG . . . . . . . . . c30342_6aza 1 . 12 . 3115 . 1 1 15 ASN H H 1.605 13.237 -1.538 . . . 1.0 . . . . . . . . . . . . A . 15 ASN H . . . . . . . . . c30342_6aza 1 . 12 . 3116 . 1 1 15 ASN HA H -0.386 13.852 0.489 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HA . . . . . . . . . c30342_6aza 1 . 12 . 3117 . 1 1 15 ASN HB2 H -1.873 12.415 -0.891 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB2 . . . . . . . . . c30342_6aza 1 . 12 . 3118 . 1 1 15 ASN HB3 H -1.154 13.736 -1.808 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB3 . . . . . . . . . c30342_6aza 1 . 12 . 3119 . 1 1 15 ASN HD21 H -0.220 13.247 -3.659 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD21 . . . . . . . . . c30342_6aza 1 . 12 . 3120 . 1 1 15 ASN HD22 H 0.274 11.669 -4.159 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD22 . . . . . . . . . c30342_6aza 1 . 12 . 3121 . 1 1 15 ASN N N 1.300 13.550 -0.661 . . . 1.0 . . . . . . . . . . . . A . 15 ASN N . . . . . . . . . c30342_6aza 1 . 12 . 3122 . 1 1 15 ASN ND2 N -0.082 12.292 -3.492 . . . 1.0 . . . . . . . . . . . . A . 15 ASN ND2 . . . . . . . . . c30342_6aza 1 . 12 . 3123 . 1 1 15 ASN O O -0.568 11.539 1.607 . . . 1.0 . . . . . . . . . . . . A . 15 ASN O . . . . . . . . . c30342_6aza 1 . 12 . 3124 . 1 1 15 ASN OD1 O -0.261 10.627 -1.995 . . . 1.0 . . . . . . . . . . . . A . 15 ASN OD1 . . . . . . . . . c30342_6aza 1 . 12 . 3125 . 1 1 16 CYS C C 2.814 9.926 1.882 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c30342_6aza 1 . 12 . 3126 . 1 1 16 CYS CA C 1.524 9.801 1.075 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c30342_6aza 1 . 12 . 3127 . 1 1 16 CYS CB C 1.634 8.634 0.093 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c30342_6aza 1 . 12 . 3128 . 1 1 16 CYS H H 1.819 11.308 -0.381 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c30342_6aza 1 . 12 . 3129 . 1 1 16 CYS HA H 0.707 9.613 1.755 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c30342_6aza 1 . 12 . 3130 . 1 1 16 CYS HB2 H 0.897 8.759 -0.687 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c30342_6aza 1 . 12 . 3131 . 1 1 16 CYS HB3 H 2.620 8.636 -0.348 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c30342_6aza 1 . 12 . 3132 . 1 1 16 CYS N N 1.237 11.039 0.360 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c30342_6aza 1 . 12 . 3133 . 1 1 16 CYS O O 3.798 9.241 1.607 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c30342_6aza 1 . 12 . 3134 . 1 1 16 CYS SG S 1.366 6.999 0.849 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c30342_6aza 1 . 12 . 3135 . 1 1 17 GLY C C 3.637 11.627 5.049 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c30342_6aza 1 . 12 . 3136 . 1 1 17 GLY CA C 3.974 11.003 3.709 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c30342_6aza 1 . 12 . 3137 . 1 1 17 GLY H H 1.988 11.324 3.051 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c30342_6aza 1 . 12 . 3138 . 1 1 17 GLY HA2 H 4.448 10.049 3.877 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c30342_6aza 1 . 12 . 3139 . 1 1 17 GLY HA3 H 4.663 11.652 3.187 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c30342_6aza 1 . 12 . 3140 . 1 1 17 GLY N N 2.800 10.805 2.879 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c30342_6aza 1 . 12 . 3141 . 1 1 17 GLY O O 2.944 11.020 5.865 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c30342_6aza 1 . 12 . 3142 . 1 1 18 NH2 HN1 H 4.675 13.272 4.587 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . c30342_6aza 1 . 12 . 3143 . 1 1 18 NH2 HN2 H 3.956 13.323 6.135 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . c30342_6aza 1 . 12 . 3144 . 1 1 18 NH2 N N 4.129 12.840 5.277 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . c30342_6aza 1 . 13 . 3145 . 1 1 1 ARG C C 1.344 1.410 -2.090 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30342_6aza 1 . 13 . 3146 . 1 1 1 ARG CA C 1.312 0.034 -1.432 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30342_6aza 1 . 13 . 3147 . 1 1 1 ARG CB C 2.591 -0.734 -1.769 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30342_6aza 1 . 13 . 3148 . 1 1 1 ARG CD C 4.106 -0.665 0.235 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30342_6aza 1 . 13 . 3149 . 1 1 1 ARG CG C 3.844 -0.125 -1.162 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30342_6aza 1 . 13 . 3150 . 1 1 1 ARG CZ C 3.642 -0.030 2.566 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30342_6aza 1 . 13 . 3151 . 1 1 1 ARG H1 H 0.117 -1.088 -2.771 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30342_6aza 1 . 13 . 3152 . 1 1 1 ARG HA H 1.248 0.160 -0.362 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30342_6aza 1 . 13 . 3153 . 1 1 1 ARG HB2 H 2.496 -1.747 -1.402 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30342_6aza 1 . 13 . 3154 . 1 1 1 ARG HB3 H 2.711 -0.758 -2.841 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30342_6aza 1 . 13 . 3155 . 1 1 1 ARG HD2 H 3.746 -1.681 0.288 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30342_6aza 1 . 13 . 3156 . 1 1 1 ARG HD3 H 5.170 -0.649 0.420 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30342_6aza 1 . 13 . 3157 . 1 1 1 ARG HE H 2.800 0.812 0.965 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30342_6aza 1 . 13 . 3158 . 1 1 1 ARG HG2 H 4.690 -0.363 -1.791 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30342_6aza 1 . 13 . 3159 . 1 1 1 ARG HG3 H 3.722 0.947 -1.109 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30342_6aza 1 . 13 . 3160 . 1 1 1 ARG HH11 H 4.987 -1.520 2.341 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30342_6aza 1 . 13 . 3161 . 1 1 1 ARG HH12 H 4.652 -1.064 3.979 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30342_6aza 1 . 13 . 3162 . 1 1 1 ARG HH21 H 2.350 1.422 3.116 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30342_6aza 1 . 13 . 3163 . 1 1 1 ARG HH22 H 3.151 0.610 4.419 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30342_6aza 1 . 13 . 3164 . 1 1 1 ARG N N 0.140 -0.720 -1.864 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30342_6aza 1 . 13 . 3165 . 1 1 1 ARG NE N 3.436 0.129 1.262 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30342_6aza 1 . 13 . 3166 . 1 1 1 ARG NH1 N 4.497 -0.948 2.997 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30342_6aza 1 . 13 . 3167 . 1 1 1 ARG NH2 N 2.994 0.730 3.439 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30342_6aza 1 . 13 . 3168 . 1 1 1 ARG O O 1.085 1.545 -3.285 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30342_6aza 1 . 13 . 3169 . 1 1 2 CYS C C 3.176 4.275 -1.889 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c30342_6aza 1 . 13 . 3170 . 1 1 2 CYS CA C 1.730 3.797 -1.802 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c30342_6aza 1 . 13 . 3171 . 1 1 2 CYS CB C 0.924 4.734 -0.902 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c30342_6aza 1 . 13 . 3172 . 1 1 2 CYS H H 1.859 2.258 -0.353 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c30342_6aza 1 . 13 . 3173 . 1 1 2 CYS HA H 1.300 3.806 -2.792 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c30342_6aza 1 . 13 . 3174 . 1 1 2 CYS HB2 H 0.050 4.210 -0.540 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c30342_6aza 1 . 13 . 3175 . 1 1 2 CYS HB3 H 1.535 5.026 -0.060 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c30342_6aza 1 . 13 . 3176 . 1 1 2 CYS N N 1.663 2.430 -1.299 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c30342_6aza 1 . 13 . 3177 . 1 1 2 CYS O O 3.507 5.373 -1.441 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c30342_6aza 1 . 13 . 3178 . 1 1 2 CYS SG S 0.355 6.254 -1.728 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c30342_6aza 1 . 13 . 3179 . 1 1 3 LYS C C 5.867 3.730 -4.081 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . c30342_6aza 1 . 13 . 3180 . 1 1 3 LYS CA C 5.446 3.779 -2.615 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . c30342_6aza 1 . 13 . 3181 . 1 1 3 LYS CB C 6.309 2.819 -1.794 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . c30342_6aza 1 . 13 . 3182 . 1 1 3 LYS CD C 7.428 2.336 0.402 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . c30342_6aza 1 . 13 . 3183 . 1 1 3 LYS CE C 7.170 2.311 1.902 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . c30342_6aza 1 . 13 . 3184 . 1 1 3 LYS CG C 6.401 3.190 -0.323 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . c30342_6aza 1 . 13 . 3185 . 1 1 3 LYS H H 3.711 2.580 -2.805 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . c30342_6aza 1 . 13 . 3186 . 1 1 3 LYS HA H 5.587 4.784 -2.245 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . c30342_6aza 1 . 13 . 3187 . 1 1 3 LYS HB2 H 5.891 1.825 -1.868 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . c30342_6aza 1 . 13 . 3188 . 1 1 3 LYS HB3 H 7.309 2.811 -2.205 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . c30342_6aza 1 . 13 . 3189 . 1 1 3 LYS HD2 H 7.378 1.326 0.024 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . c30342_6aza 1 . 13 . 3190 . 1 1 3 LYS HD3 H 8.412 2.743 0.223 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . c30342_6aza 1 . 13 . 3191 . 1 1 3 LYS HE2 H 7.297 3.308 2.294 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . c30342_6aza 1 . 13 . 3192 . 1 1 3 LYS HE3 H 6.155 1.983 2.074 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . c30342_6aza 1 . 13 . 3193 . 1 1 3 LYS HG2 H 6.688 4.228 -0.241 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . c30342_6aza 1 . 13 . 3194 . 1 1 3 LYS HG3 H 5.434 3.043 0.136 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . c30342_6aza 1 . 13 . 3195 . 1 1 3 LYS HZ1 H 7.875 0.401 2.374 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 13 . 3196 . 1 1 3 LYS HZ2 H 8.018 1.516 3.638 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 13 . 3197 . 1 1 3 LYS HZ3 H 9.083 1.586 2.325 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 13 . 3198 . 1 1 3 LYS N N 4.035 3.443 -2.467 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . c30342_6aza 1 . 13 . 3199 . 1 1 3 LYS NZ N 8.102 1.389 2.610 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . c30342_6aza 1 . 13 . 3200 . 1 1 3 LYS O O 5.751 2.696 -4.737 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . c30342_6aza 1 . 13 . 3201 . 1 1 4 THR C C 8.188 5.556 -6.076 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30342_6aza 1 . 13 . 3202 . 1 1 4 THR CA C 6.795 4.943 -5.975 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30342_6aza 1 . 13 . 3203 . 1 1 4 THR CB C 5.817 5.779 -6.823 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30342_6aza 1 . 13 . 3204 . 1 1 4 THR CG2 C 6.004 5.492 -8.306 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30342_6aza 1 . 13 . 3205 . 1 1 4 THR H H 6.424 5.649 -4.015 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30342_6aza 1 . 13 . 3206 . 1 1 4 THR HA H 6.822 3.941 -6.379 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30342_6aza 1 . 13 . 3207 . 1 1 4 THR HB H 6.015 6.826 -6.646 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30342_6aza 1 . 13 . 3208 . 1 1 4 THR HG1 H 3.917 6.258 -6.604 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30342_6aza 1 . 13 . 3209 . 1 1 4 THR HG21 H 5.096 5.736 -8.837 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30342_6aza 1 . 13 . 3210 . 1 1 4 THR HG22 H 6.234 4.446 -8.444 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30342_6aza 1 . 13 . 3211 . 1 1 4 THR HG23 H 6.816 6.093 -8.687 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30342_6aza 1 . 13 . 3212 . 1 1 4 THR N N 6.356 4.857 -4.589 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30342_6aza 1 . 13 . 3213 . 1 1 4 THR O O 8.410 6.690 -5.653 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30342_6aza 1 . 13 . 3214 . 1 1 4 THR OG1 O 4.467 5.489 -6.443 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30342_6aza 1 . 13 . 3215 . 1 1 5 CYS C C 10.990 5.031 -8.218 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30342_6aza 1 . 13 . 3216 . 1 1 5 CYS CA C 10.495 5.265 -6.795 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30342_6aza 1 . 13 . 3217 . 1 1 5 CYS CB C 11.415 4.555 -5.799 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30342_6aza 1 . 13 . 3218 . 1 1 5 CYS H H 8.885 3.900 -6.955 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30342_6aza 1 . 13 . 3219 . 1 1 5 CYS HA H 10.509 6.325 -6.591 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30342_6aza 1 . 13 . 3220 . 1 1 5 CYS HB2 H 11.385 3.492 -5.988 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30342_6aza 1 . 13 . 3221 . 1 1 5 CYS HB3 H 12.425 4.911 -5.937 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30342_6aza 1 . 13 . 3222 . 1 1 5 CYS N N 9.122 4.797 -6.638 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30342_6aza 1 . 13 . 3223 . 1 1 5 CYS O O 10.991 3.901 -8.707 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30342_6aza 1 . 13 . 3224 . 1 1 5 CYS SG S 10.964 4.819 -4.052 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30342_6aza 1 . 13 . 3225 . 1 1 6 SER C C 13.244 5.280 -10.294 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . c30342_6aza 1 . 13 . 3226 . 1 1 6 SER CA C 11.908 6.017 -10.246 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . c30342_6aza 1 . 13 . 3227 . 1 1 6 SER CB C 12.061 7.415 -10.846 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . c30342_6aza 1 . 13 . 3228 . 1 1 6 SER H H 11.388 6.978 -8.432 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . c30342_6aza 1 . 13 . 3229 . 1 1 6 SER HA H 11.184 5.463 -10.826 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . c30342_6aza 1 . 13 . 3230 . 1 1 6 SER HB2 H 11.177 7.997 -10.629 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . c30342_6aza 1 . 13 . 3231 . 1 1 6 SER HB3 H 12.924 7.898 -10.410 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . c30342_6aza 1 . 13 . 3232 . 1 1 6 SER HG H 12.775 8.090 -12.541 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . c30342_6aza 1 . 13 . 3233 . 1 1 6 SER N N 11.413 6.105 -8.877 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . c30342_6aza 1 . 13 . 3234 . 1 1 6 SER O O 13.854 5.009 -9.259 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . c30342_6aza 1 . 13 . 3235 . 1 1 6 SER OG O 12.235 7.352 -12.250 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . c30342_6aza 1 . 13 . 3236 . 1 1 7 LYS C C 16.131 5.119 -11.235 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30342_6aza 1 . 13 . 3237 . 1 1 7 LYS CA C 14.956 4.258 -11.689 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30342_6aza 1 . 13 . 3238 . 1 1 7 LYS CB C 15.135 3.867 -13.158 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30342_6aza 1 . 13 . 3239 . 1 1 7 LYS CD C 14.329 2.479 -15.090 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30342_6aza 1 . 13 . 3240 . 1 1 7 LYS CE C 15.182 1.221 -15.042 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30342_6aza 1 . 13 . 3241 . 1 1 7 LYS CG C 14.015 2.993 -13.695 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30342_6aza 1 . 13 . 3242 . 1 1 7 LYS H H 13.161 5.204 -12.290 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30342_6aza 1 . 13 . 3243 . 1 1 7 LYS HA H 14.930 3.361 -11.088 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30342_6aza 1 . 13 . 3244 . 1 1 7 LYS HB2 H 15.178 4.766 -13.754 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30342_6aza 1 . 13 . 3245 . 1 1 7 LYS HB3 H 16.065 3.331 -13.265 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30342_6aza 1 . 13 . 3246 . 1 1 7 LYS HD2 H 13.404 2.253 -15.598 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30342_6aza 1 . 13 . 3247 . 1 1 7 LYS HD3 H 14.864 3.245 -15.634 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30342_6aza 1 . 13 . 3248 . 1 1 7 LYS HE2 H 15.799 1.187 -15.927 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30342_6aza 1 . 13 . 3249 . 1 1 7 LYS HE3 H 15.812 1.262 -14.165 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30342_6aza 1 . 13 . 3250 . 1 1 7 LYS HG2 H 13.881 2.148 -13.034 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30342_6aza 1 . 13 . 3251 . 1 1 7 LYS HG3 H 13.104 3.572 -13.730 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30342_6aza 1 . 13 . 3252 . 1 1 7 LYS HZ1 H 14.616 -0.583 -14.155 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 13 . 3253 . 1 1 7 LYS HZ2 H 14.492 -0.581 -15.841 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 13 . 3254 . 1 1 7 LYS HZ3 H 13.343 0.239 -14.908 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 13 . 3255 . 1 1 7 LYS N N 13.693 4.961 -11.503 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30342_6aza 1 . 13 . 3256 . 1 1 7 LYS NZ N 14.350 -0.011 -14.983 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30342_6aza 1 . 13 . 3257 . 1 1 7 LYS O O 16.568 6.019 -11.952 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30342_6aza 1 . 13 . 3258 . 1 1 8 GLY C C 17.336 6.585 -8.442 . . . 1.0 . . . . . . . . . . . . A . 8 GLY C . . . . . . . . . c30342_6aza 1 . 13 . 3259 . 1 1 8 GLY CA C 17.757 5.595 -9.511 . . . 1.0 . . . . . . . . . . . . A . 8 GLY CA . . . . . . . . . c30342_6aza 1 . 13 . 3260 . 1 1 8 GLY H H 16.247 4.110 -9.509 . . . 1.0 . . . . . . . . . . . . A . 8 GLY H . . . . . . . . . c30342_6aza 1 . 13 . 3261 . 1 1 8 GLY HA2 H 18.475 4.908 -9.087 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA2 . . . . . . . . . c30342_6aza 1 . 13 . 3262 . 1 1 8 GLY HA3 H 18.225 6.135 -10.319 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA3 . . . . . . . . . c30342_6aza 1 . 13 . 3263 . 1 1 8 GLY N N 16.637 4.838 -10.038 . . . 1.0 . . . . . . . . . . . . A . 8 GLY N . . . . . . . . . c30342_6aza 1 . 13 . 3264 . 1 1 8 GLY O O 18.125 6.935 -7.565 . . . 1.0 . . . . . . . . . . . . A . 8 GLY O . . . . . . . . . c30342_6aza 1 . 13 . 3265 . 1 1 9 ARG C C 14.448 7.370 -6.716 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c30342_6aza 1 . 13 . 3266 . 1 1 9 ARG CA C 15.564 7.994 -7.549 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c30342_6aza 1 . 13 . 3267 . 1 1 9 ARG CB C 15.043 9.242 -8.266 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c30342_6aza 1 . 13 . 3268 . 1 1 9 ARG CD C 15.666 11.152 -9.775 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c30342_6aza 1 . 13 . 3269 . 1 1 9 ARG CG C 16.141 10.208 -8.681 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c30342_6aza 1 . 13 . 3270 . 1 1 9 ARG CZ C 17.635 11.508 -11.204 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c30342_6aza 1 . 13 . 3271 . 1 1 9 ARG H H 15.505 6.720 -9.238 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c30342_6aza 1 . 13 . 3272 . 1 1 9 ARG HA H 16.372 8.279 -6.892 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c30342_6aza 1 . 13 . 3273 . 1 1 9 ARG HB2 H 14.508 8.936 -9.154 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c30342_6aza 1 . 13 . 3274 . 1 1 9 ARG HB3 H 14.364 9.763 -7.608 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c30342_6aza 1 . 13 . 3275 . 1 1 9 ARG HD2 H 15.235 10.567 -10.575 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c30342_6aza 1 . 13 . 3276 . 1 1 9 ARG HD3 H 14.914 11.809 -9.365 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c30342_6aza 1 . 13 . 3277 . 1 1 9 ARG HE H 16.843 12.881 -9.993 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c30342_6aza 1 . 13 . 3278 . 1 1 9 ARG HG2 H 16.436 10.792 -7.822 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c30342_6aza 1 . 13 . 3279 . 1 1 9 ARG HG3 H 16.985 9.644 -9.045 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c30342_6aza 1 . 13 . 3280 . 1 1 9 ARG HH11 H 16.819 9.663 -11.324 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c30342_6aza 1 . 13 . 3281 . 1 1 9 ARG HH12 H 18.208 9.928 -12.327 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c30342_6aza 1 . 13 . 3282 . 1 1 9 ARG HH21 H 18.670 13.240 -11.309 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c30342_6aza 1 . 13 . 3283 . 1 1 9 ARG HH22 H 19.260 11.962 -12.317 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c30342_6aza 1 . 13 . 3284 . 1 1 9 ARG N N 16.088 7.037 -8.517 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c30342_6aza 1 . 13 . 3285 . 1 1 9 ARG NE N 16.759 11.959 -10.313 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c30342_6aza 1 . 13 . 3286 . 1 1 9 ARG NH1 N 17.547 10.264 -11.656 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c30342_6aza 1 . 13 . 3287 . 1 1 9 ARG NH2 N 18.602 12.302 -11.646 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c30342_6aza 1 . 13 . 3288 . 1 1 9 ARG O O 13.583 6.671 -7.242 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c30342_6aza 1 . 13 . 3289 . 1 1 10 CYS C C 13.199 8.062 -3.358 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30342_6aza 1 . 13 . 3290 . 1 1 10 CYS CA C 13.468 7.092 -4.505 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30342_6aza 1 . 13 . 3291 . 1 1 10 CYS CB C 13.921 5.740 -3.950 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30342_6aza 1 . 13 . 3292 . 1 1 10 CYS H H 15.192 8.194 -5.052 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30342_6aza 1 . 13 . 3293 . 1 1 10 CYS HA H 12.557 6.954 -5.065 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30342_6aza 1 . 13 . 3294 . 1 1 10 CYS HB2 H 14.199 5.097 -4.772 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30342_6aza 1 . 13 . 3295 . 1 1 10 CYS HB3 H 14.778 5.891 -3.310 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30342_6aza 1 . 13 . 3296 . 1 1 10 CYS N N 14.476 7.628 -5.413 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30342_6aza 1 . 13 . 3297 . 1 1 10 CYS O O 14.094 8.374 -2.573 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30342_6aza 1 . 13 . 3298 . 1 1 10 CYS SG S 12.649 4.873 -2.975 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30342_6aza 1 . 13 . 3299 . 1 1 11 ARG C C 10.083 9.340 -1.902 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . c30342_6aza 1 . 13 . 3300 . 1 1 11 ARG CA C 11.571 9.467 -2.218 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . c30342_6aza 1 . 13 . 3301 . 1 1 11 ARG CB C 11.893 10.902 -2.638 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . c30342_6aza 1 . 13 . 3302 . 1 1 11 ARG CD C 13.444 12.857 -2.339 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . c30342_6aza 1 . 13 . 3303 . 1 1 11 ARG CG C 13.297 11.345 -2.263 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . c30342_6aza 1 . 13 . 3304 . 1 1 11 ARG CZ C 15.632 13.257 -1.292 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . c30342_6aza 1 . 13 . 3305 . 1 1 11 ARG H H 11.290 8.246 -3.924 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . c30342_6aza 1 . 13 . 3306 . 1 1 11 ARG HA H 12.137 9.224 -1.333 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . c30342_6aza 1 . 13 . 3307 . 1 1 11 ARG HB2 H 11.790 10.983 -3.711 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . c30342_6aza 1 . 13 . 3308 . 1 1 11 ARG HB3 H 11.190 11.570 -2.165 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . c30342_6aza 1 . 13 . 3309 . 1 1 11 ARG HD2 H 12.961 13.207 -3.239 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . c30342_6aza 1 . 13 . 3310 . 1 1 11 ARG HD3 H 12.962 13.294 -1.477 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . c30342_6aza 1 . 13 . 3311 . 1 1 11 ARG HE H 15.214 13.576 -3.216 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . c30342_6aza 1 . 13 . 3312 . 1 1 11 ARG HG2 H 13.508 11.025 -1.253 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . c30342_6aza 1 . 13 . 3313 . 1 1 11 ARG HG3 H 14.003 10.890 -2.942 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . c30342_6aza 1 . 13 . 3314 . 1 1 11 ARG HH11 H 14.209 12.552 -0.044 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . c30342_6aza 1 . 13 . 3315 . 1 1 11 ARG HH12 H 15.756 12.838 0.682 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . c30342_6aza 1 . 13 . 3316 . 1 1 11 ARG HH21 H 17.255 13.955 -2.274 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . c30342_6aza 1 . 13 . 3317 . 1 1 11 ARG HH22 H 17.488 13.636 -0.588 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . c30342_6aza 1 . 13 . 3318 . 1 1 11 ARG N N 11.959 8.532 -3.269 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . c30342_6aza 1 . 13 . 3319 . 1 1 11 ARG NE N 14.845 13.271 -2.361 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . c30342_6aza 1 . 13 . 3320 . 1 1 11 ARG NH1 N 15.160 12.850 -0.122 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . c30342_6aza 1 . 13 . 3321 . 1 1 11 ARG NH2 N 16.896 13.649 -1.392 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . c30342_6aza 1 . 13 . 3322 . 1 1 11 ARG O O 9.297 8.818 -2.692 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . c30342_6aza 1 . 13 . 3323 . 1 1 12 PRO C C 7.396 10.723 -1.066 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . c30342_6aza 1 . 13 . 3324 . 1 1 12 PRO CA C 8.293 9.783 -0.268 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . c30342_6aza 1 . 13 . 3325 . 1 1 12 PRO CB C 8.375 10.234 1.193 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . c30342_6aza 1 . 13 . 3326 . 1 1 12 PRO CD C 10.570 10.466 0.275 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . c30342_6aza 1 . 13 . 3327 . 1 1 12 PRO CG C 9.609 11.065 1.262 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . c30342_6aza 1 . 13 . 3328 . 1 1 12 PRO HA H 7.894 8.780 -0.315 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . c30342_6aza 1 . 13 . 3329 . 1 1 12 PRO HB2 H 7.496 10.809 1.444 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . c30342_6aza 1 . 13 . 3330 . 1 1 12 PRO HB3 H 8.445 9.371 1.836 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . c30342_6aza 1 . 13 . 3331 . 1 1 12 PRO HD2 H 11.174 11.235 -0.183 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . c30342_6aza 1 . 13 . 3332 . 1 1 12 PRO HD3 H 11.198 9.730 0.758 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . c30342_6aza 1 . 13 . 3333 . 1 1 12 PRO HG2 H 9.381 12.085 0.992 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . c30342_6aza 1 . 13 . 3334 . 1 1 12 PRO HG3 H 10.022 11.025 2.260 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . c30342_6aza 1 . 13 . 3335 . 1 1 12 PRO N N 9.688 9.829 -0.716 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . c30342_6aza 1 . 13 . 3336 . 1 1 12 PRO O O 7.805 11.823 -1.438 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . c30342_6aza 1 . 13 . 3337 . 1 1 13 LYS C C 4.518 12.096 -1.172 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c30342_6aza 1 . 13 . 3338 . 1 1 13 LYS CA C 5.211 11.083 -2.078 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c30342_6aza 1 . 13 . 3339 . 1 1 13 LYS CB C 4.171 10.181 -2.743 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c30342_6aza 1 . 13 . 3340 . 1 1 13 LYS CD C 3.497 9.259 -4.980 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c30342_6aza 1 . 13 . 3341 . 1 1 13 LYS CE C 2.891 7.888 -4.721 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c30342_6aza 1 . 13 . 3342 . 1 1 13 LYS CG C 4.652 9.544 -4.035 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c30342_6aza 1 . 13 . 3343 . 1 1 13 LYS H H 5.901 9.396 -1.002 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c30342_6aza 1 . 13 . 3344 . 1 1 13 LYS HA H 5.754 11.617 -2.844 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c30342_6aza 1 . 13 . 3345 . 1 1 13 LYS HB2 H 3.903 9.393 -2.054 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c30342_6aza 1 . 13 . 3346 . 1 1 13 LYS HB3 H 3.289 10.769 -2.962 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c30342_6aza 1 . 13 . 3347 . 1 1 13 LYS HD2 H 2.734 10.010 -4.841 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c30342_6aza 1 . 13 . 3348 . 1 1 13 LYS HD3 H 3.859 9.296 -5.998 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c30342_6aza 1 . 13 . 3349 . 1 1 13 LYS HE2 H 3.690 7.175 -4.585 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c30342_6aza 1 . 13 . 3350 . 1 1 13 LYS HE3 H 2.296 7.937 -3.821 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c30342_6aza 1 . 13 . 3351 . 1 1 13 LYS HG2 H 5.343 10.217 -4.521 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c30342_6aza 1 . 13 . 3352 . 1 1 13 LYS HG3 H 5.154 8.616 -3.803 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c30342_6aza 1 . 13 . 3353 . 1 1 13 LYS HZ1 H 2.035 6.402 -5.912 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 13 . 3354 . 1 1 13 LYS HZ2 H 2.382 7.831 -6.746 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 13 . 3355 . 1 1 13 LYS HZ3 H 1.052 7.763 -5.703 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 13 . 3356 . 1 1 13 LYS N N 6.169 10.283 -1.325 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c30342_6aza 1 . 13 . 3357 . 1 1 13 LYS NZ N 2.030 7.439 -5.850 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c30342_6aza 1 . 13 . 3358 . 1 1 13 LYS O O 4.454 11.933 0.047 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c30342_6aza 1 . 13 . 3359 . 1 1 14 PRO C C 1.947 13.756 -0.484 . . . 1.0 . . . . . . . . . . . . A . 14 PRO C . . . . . . . . . c30342_6aza 1 . 13 . 3360 . 1 1 14 PRO CA C 3.286 14.226 -1.045 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CA . . . . . . . . . c30342_6aza 1 . 13 . 3361 . 1 1 14 PRO CB C 3.071 15.310 -2.104 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CB . . . . . . . . . c30342_6aza 1 . 13 . 3362 . 1 1 14 PRO CD C 4.025 13.427 -3.228 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CD . . . . . . . . . c30342_6aza 1 . 13 . 3363 . 1 1 14 PRO CG C 3.070 14.576 -3.401 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CG . . . . . . . . . c30342_6aza 1 . 13 . 3364 . 1 1 14 PRO HA H 3.892 14.621 -0.242 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HA . . . . . . . . . c30342_6aza 1 . 13 . 3365 . 1 1 14 PRO HB2 H 2.126 15.805 -1.929 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB2 . . . . . . . . . c30342_6aza 1 . 13 . 3366 . 1 1 14 PRO HB3 H 3.874 16.028 -2.058 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB3 . . . . . . . . . c30342_6aza 1 . 13 . 3367 . 1 1 14 PRO HD2 H 3.685 12.566 -3.783 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD2 . . . . . . . . . c30342_6aza 1 . 13 . 3368 . 1 1 14 PRO HD3 H 5.019 13.713 -3.540 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD3 . . . . . . . . . c30342_6aza 1 . 13 . 3369 . 1 1 14 PRO HG2 H 2.078 14.210 -3.616 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG2 . . . . . . . . . c30342_6aza 1 . 13 . 3370 . 1 1 14 PRO HG3 H 3.410 15.229 -4.191 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG3 . . . . . . . . . c30342_6aza 1 . 13 . 3371 . 1 1 14 PRO N N 3.985 13.168 -1.779 . . . 1.0 . . . . . . . . . . . . A . 14 PRO N . . . . . . . . . c30342_6aza 1 . 13 . 3372 . 1 1 14 PRO O O 1.578 14.103 0.637 . . . 1.0 . . . . . . . . . . . . A . 14 PRO O . . . . . . . . . c30342_6aza 1 . 13 . 3373 . 1 1 15 ASN C C 0.094 11.347 0.193 . . . 1.0 . . . . . . . . . . . . A . 15 ASN C . . . . . . . . . c30342_6aza 1 . 13 . 3374 . 1 1 15 ASN CA C -0.071 12.446 -0.853 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CA . . . . . . . . . c30342_6aza 1 . 13 . 3375 . 1 1 15 ASN CB C -0.841 11.907 -2.060 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CB . . . . . . . . . c30342_6aza 1 . 13 . 3376 . 1 1 15 ASN CG C -1.499 13.010 -2.866 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CG . . . . . . . . . c30342_6aza 1 . 13 . 3377 . 1 1 15 ASN H H 1.575 12.723 -2.154 . . . 1.0 . . . . . . . . . . . . A . 15 ASN H . . . . . . . . . c30342_6aza 1 . 13 . 3378 . 1 1 15 ASN HA H -0.628 13.261 -0.417 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HA . . . . . . . . . c30342_6aza 1 . 13 . 3379 . 1 1 15 ASN HB2 H -0.158 11.374 -2.705 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB2 . . . . . . . . . c30342_6aza 1 . 13 . 3380 . 1 1 15 ASN HB3 H -1.609 11.229 -1.716 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB3 . . . . . . . . . c30342_6aza 1 . 13 . 3381 . 1 1 15 ASN HD21 H 0.133 13.195 -3.987 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD21 . . . . . . . . . c30342_6aza 1 . 13 . 3382 . 1 1 15 ASN HD22 H -1.173 14.256 -4.380 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD22 . . . . . . . . . c30342_6aza 1 . 13 . 3383 . 1 1 15 ASN N N 1.227 12.964 -1.272 . . . 1.0 . . . . . . . . . . . . A . 15 ASN N . . . . . . . . . c30342_6aza 1 . 13 . 3384 . 1 1 15 ASN ND2 N -0.772 13.541 -3.843 . . . 1.0 . . . . . . . . . . . . A . 15 ASN ND2 . . . . . . . . . c30342_6aza 1 . 13 . 3385 . 1 1 15 ASN O O -0.780 11.140 1.034 . . . 1.0 . . . . . . . . . . . . A . 15 ASN O . . . . . . . . . c30342_6aza 1 . 13 . 3386 . 1 1 15 ASN OD1 O -2.645 13.380 -2.614 . . . 1.0 . . . . . . . . . . . . A . 15 ASN OD1 . . . . . . . . . c30342_6aza 1 . 13 . 3387 . 1 1 16 CYS C C 3.004 9.415 1.294 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c30342_6aza 1 . 13 . 3388 . 1 1 16 CYS CA C 1.501 9.568 1.074 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c30342_6aza 1 . 13 . 3389 . 1 1 16 CYS CB C 0.913 8.252 0.564 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c30342_6aza 1 . 13 . 3390 . 1 1 16 CYS H H 1.881 10.857 -0.560 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c30342_6aza 1 . 13 . 3391 . 1 1 16 CYS HA H 1.037 9.818 2.015 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c30342_6aza 1 . 13 . 3392 . 1 1 16 CYS HB2 H 1.162 7.462 1.258 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c30342_6aza 1 . 13 . 3393 . 1 1 16 CYS HB3 H -0.161 8.345 0.502 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c30342_6aza 1 . 13 . 3394 . 1 1 16 CYS N N 1.220 10.646 0.134 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c30342_6aza 1 . 13 . 3395 . 1 1 16 CYS O O 3.778 9.342 0.340 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c30342_6aza 1 . 13 . 3396 . 1 1 16 CYS SG S 1.521 7.753 -1.080 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c30342_6aza 1 . 13 . 3397 . 1 1 17 GLY C C 5.439 10.522 3.355 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c30342_6aza 1 . 13 . 3398 . 1 1 17 GLY CA C 4.817 9.224 2.883 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c30342_6aza 1 . 13 . 3399 . 1 1 17 GLY H H 2.748 9.431 3.280 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c30342_6aza 1 . 13 . 3400 . 1 1 17 GLY HA2 H 4.923 8.482 3.661 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c30342_6aza 1 . 13 . 3401 . 1 1 17 GLY HA3 H 5.344 8.886 2.002 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c30342_6aza 1 . 13 . 3402 . 1 1 17 GLY N N 3.410 9.367 2.559 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c30342_6aza 1 . 13 . 3403 . 1 1 17 GLY O O 5.077 11.599 2.881 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c30342_6aza 1 . 13 . 3404 . 1 1 18 NH2 HN1 H 6.622 9.536 4.630 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . c30342_6aza 1 . 13 . 3405 . 1 1 18 NH2 HN2 H 6.838 11.229 4.660 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . c30342_6aza 1 . 13 . 3406 . 1 1 18 NH2 N N 6.376 10.422 4.292 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . c30342_6aza 1 . 14 . 3407 . 1 1 1 ARG C C -0.133 5.598 -4.440 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30342_6aza 1 . 14 . 3408 . 1 1 1 ARG CA C -1.570 5.241 -4.816 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30342_6aza 1 . 14 . 3409 . 1 1 1 ARG CB C -1.572 4.232 -5.965 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30342_6aza 1 . 14 . 3410 . 1 1 1 ARG CD C -1.404 4.060 -8.466 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30342_6aza 1 . 14 . 3411 . 1 1 1 ARG CG C -0.861 4.729 -7.213 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30342_6aza 1 . 14 . 3412 . 1 1 1 ARG CZ C -0.426 5.296 -10.353 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30342_6aza 1 . 14 . 3413 . 1 1 1 ARG H1 H -2.308 6.735 -6.121 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30342_6aza 1 . 14 . 3414 . 1 1 1 ARG HA H -2.054 4.799 -3.959 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30342_6aza 1 . 14 . 3415 . 1 1 1 ARG HB2 H -1.082 3.327 -5.636 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30342_6aza 1 . 14 . 3416 . 1 1 1 ARG HB3 H -2.595 4.004 -6.225 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30342_6aza 1 . 14 . 3417 . 1 1 1 ARG HD2 H -1.549 3.009 -8.264 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30342_6aza 1 . 14 . 3418 . 1 1 1 ARG HD3 H -2.352 4.511 -8.717 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30342_6aza 1 . 14 . 3419 . 1 1 1 ARG HE H 0.090 3.447 -9.812 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30342_6aza 1 . 14 . 3420 . 1 1 1 ARG HG2 H -1.006 5.796 -7.298 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30342_6aza 1 . 14 . 3421 . 1 1 1 ARG HG3 H 0.193 4.511 -7.128 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30342_6aza 1 . 14 . 3422 . 1 1 1 ARG HH11 H -1.850 6.296 -9.328 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30342_6aza 1 . 14 . 3423 . 1 1 1 ARG HH12 H -1.151 7.156 -10.660 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30342_6aza 1 . 14 . 3424 . 1 1 1 ARG HH21 H 1.017 4.569 -11.568 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30342_6aza 1 . 14 . 3425 . 1 1 1 ARG HH22 H 0.478 6.173 -11.934 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30342_6aza 1 . 14 . 3426 . 1 1 1 ARG N N -2.320 6.435 -5.188 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30342_6aza 1 . 14 . 3427 . 1 1 1 ARG NE N -0.495 4.203 -9.601 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30342_6aza 1 . 14 . 3428 . 1 1 1 ARG NH1 N -1.207 6.335 -10.092 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30342_6aza 1 . 14 . 3429 . 1 1 1 ARG NH2 N 0.426 5.351 -11.368 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30342_6aza 1 . 14 . 3430 . 1 1 1 ARG O O 0.440 6.549 -4.969 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30342_6aza 1 . 14 . 3431 . 1 1 2 CYS C C 2.787 4.159 -3.819 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c30342_6aza 1 . 14 . 3432 . 1 1 2 CYS CA C 1.808 5.061 -3.074 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c30342_6aza 1 . 14 . 3433 . 1 1 2 CYS CB C 1.921 4.821 -1.567 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c30342_6aza 1 . 14 . 3434 . 1 1 2 CYS H H -0.069 4.083 -3.135 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c30342_6aza 1 . 14 . 3435 . 1 1 2 CYS HA H 2.055 6.091 -3.284 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c30342_6aza 1 . 14 . 3436 . 1 1 2 CYS HB2 H 0.992 5.108 -1.093 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c30342_6aza 1 . 14 . 3437 . 1 1 2 CYS HB3 H 2.099 3.771 -1.391 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c30342_6aza 1 . 14 . 3438 . 1 1 2 CYS N N 0.440 4.828 -3.521 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c30342_6aza 1 . 14 . 3439 . 1 1 2 CYS O O 3.395 3.265 -3.231 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c30342_6aza 1 . 14 . 3440 . 1 1 2 CYS SG S 3.262 5.755 -0.763 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c30342_6aza 1 . 14 . 3441 . 1 1 3 LYS C C 5.236 3.572 -5.337 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . c30342_6aza 1 . 14 . 3442 . 1 1 3 LYS CA C 3.838 3.610 -5.945 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . c30342_6aza 1 . 14 . 3443 . 1 1 3 LYS CB C 3.899 4.185 -7.361 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . c30342_6aza 1 . 14 . 3444 . 1 1 3 LYS CD C 3.678 3.550 -9.781 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . c30342_6aza 1 . 14 . 3445 . 1 1 3 LYS CE C 3.412 2.332 -10.652 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . c30342_6aza 1 . 14 . 3446 . 1 1 3 LYS CG C 4.233 3.153 -8.423 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . c30342_6aza 1 . 14 . 3447 . 1 1 3 LYS H H 2.419 5.125 -5.529 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . c30342_6aza 1 . 14 . 3448 . 1 1 3 LYS HA H 3.450 2.603 -5.991 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . c30342_6aza 1 . 14 . 3449 . 1 1 3 LYS HB2 H 2.941 4.622 -7.602 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . c30342_6aza 1 . 14 . 3450 . 1 1 3 LYS HB3 H 4.655 4.958 -7.390 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . c30342_6aza 1 . 14 . 3451 . 1 1 3 LYS HD2 H 2.752 4.086 -9.639 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . c30342_6aza 1 . 14 . 3452 . 1 1 3 LYS HD3 H 4.393 4.188 -10.279 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . c30342_6aza 1 . 14 . 3453 . 1 1 3 LYS HE2 H 3.089 1.518 -10.021 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . c30342_6aza 1 . 14 . 3454 . 1 1 3 LYS HE3 H 2.630 2.574 -11.357 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . c30342_6aza 1 . 14 . 3455 . 1 1 3 LYS HG2 H 5.306 3.061 -8.499 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . c30342_6aza 1 . 14 . 3456 . 1 1 3 LYS HG3 H 3.809 2.202 -8.135 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . c30342_6aza 1 . 14 . 3457 . 1 1 3 LYS HZ1 H 5.089 2.738 -11.829 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 14 . 3458 . 1 1 3 LYS HZ2 H 4.369 1.244 -12.158 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 14 . 3459 . 1 1 3 LYS HZ3 H 5.299 1.443 -10.761 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 14 . 3460 . 1 1 3 LYS N N 2.932 4.399 -5.116 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . c30342_6aza 1 . 14 . 3461 . 1 1 3 LYS NZ N 4.628 1.910 -11.401 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . c30342_6aza 1 . 14 . 3462 . 1 1 3 LYS O O 5.563 4.364 -4.453 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . c30342_6aza 1 . 14 . 3463 . 1 1 4 THR C C 8.363 3.496 -6.012 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30342_6aza 1 . 14 . 3464 . 1 1 4 THR CA C 7.425 2.509 -5.325 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30342_6aza 1 . 14 . 3465 . 1 1 4 THR CB C 7.956 1.078 -5.541 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30342_6aza 1 . 14 . 3466 . 1 1 4 THR CG2 C 8.116 0.778 -7.023 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30342_6aza 1 . 14 . 3467 . 1 1 4 THR H H 5.744 2.046 -6.525 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30342_6aza 1 . 14 . 3468 . 1 1 4 THR HA H 7.418 2.711 -4.265 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30342_6aza 1 . 14 . 3469 . 1 1 4 THR HB H 7.247 0.380 -5.122 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30342_6aza 1 . 14 . 3470 . 1 1 4 THR HG1 H 9.915 1.286 -5.426 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30342_6aza 1 . 14 . 3471 . 1 1 4 THR HG21 H 7.304 1.231 -7.572 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30342_6aza 1 . 14 . 3472 . 1 1 4 THR HG22 H 8.104 -0.290 -7.177 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30342_6aza 1 . 14 . 3473 . 1 1 4 THR HG23 H 9.054 1.182 -7.373 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30342_6aza 1 . 14 . 3474 . 1 1 4 THR N N 6.062 2.648 -5.820 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30342_6aza 1 . 14 . 3475 . 1 1 4 THR O O 8.087 3.964 -7.116 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30342_6aza 1 . 14 . 3476 . 1 1 4 THR OG1 O 9.216 0.920 -4.878 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30342_6aza 1 . 14 . 3477 . 1 1 5 CYS C C 10.855 4.336 -7.312 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30342_6aza 1 . 14 . 3478 . 1 1 5 CYS CA C 10.452 4.739 -5.896 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30342_6aza 1 . 14 . 3479 . 1 1 5 CYS CB C 11.689 4.795 -4.997 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30342_6aza 1 . 14 . 3480 . 1 1 5 CYS H H 9.637 3.401 -4.472 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30342_6aza 1 . 14 . 3481 . 1 1 5 CYS HA H 9.997 5.717 -5.930 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30342_6aza 1 . 14 . 3482 . 1 1 5 CYS HB2 H 12.022 3.789 -4.793 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30342_6aza 1 . 14 . 3483 . 1 1 5 CYS HB3 H 12.473 5.331 -5.511 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30342_6aza 1 . 14 . 3484 . 1 1 5 CYS N N 9.472 3.807 -5.350 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30342_6aza 1 . 14 . 3485 . 1 1 5 CYS O O 10.623 3.205 -7.737 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30342_6aza 1 . 14 . 3486 . 1 1 5 CYS SG S 11.409 5.621 -3.398 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30342_6aza 1 . 14 . 3487 . 1 1 6 SER C C 13.356 4.573 -9.439 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . c30342_6aza 1 . 14 . 3488 . 1 1 6 SER CA C 11.896 5.016 -9.406 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . c30342_6aza 1 . 14 . 3489 . 1 1 6 SER CB C 11.711 6.268 -10.263 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . c30342_6aza 1 . 14 . 3490 . 1 1 6 SER H H 11.620 6.155 -7.642 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . c30342_6aza 1 . 14 . 3491 . 1 1 6 SER HA H 11.282 4.222 -9.805 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . c30342_6aza 1 . 14 . 3492 . 1 1 6 SER HB2 H 10.740 6.696 -10.067 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . c30342_6aza 1 . 14 . 3493 . 1 1 6 SER HB3 H 12.479 6.986 -10.016 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . c30342_6aza 1 . 14 . 3494 . 1 1 6 SER HG H 11.397 5.105 -11.807 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . c30342_6aza 1 . 14 . 3495 . 1 1 6 SER N N 11.462 5.271 -8.036 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . c30342_6aza 1 . 14 . 3496 . 1 1 6 SER O O 14.063 4.644 -8.433 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . c30342_6aza 1 . 14 . 3497 . 1 1 6 SER OG O 11.803 5.959 -11.643 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . c30342_6aza 1 . 14 . 3498 . 1 1 7 LYS C C 16.150 4.831 -10.682 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30342_6aza 1 . 14 . 3499 . 1 1 7 LYS CA C 15.177 3.661 -10.771 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30342_6aza 1 . 14 . 3500 . 1 1 7 LYS CB C 15.340 2.950 -12.118 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30342_6aza 1 . 14 . 3501 . 1 1 7 LYS CD C 13.601 1.137 -12.064 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30342_6aza 1 . 14 . 3502 . 1 1 7 LYS CE C 13.033 1.062 -10.655 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30342_6aza 1 . 14 . 3503 . 1 1 7 LYS CG C 15.088 1.454 -12.049 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30342_6aza 1 . 14 . 3504 . 1 1 7 LYS H H 13.190 4.082 -11.370 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30342_6aza 1 . 14 . 3505 . 1 1 7 LYS HA H 15.396 2.964 -9.977 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30342_6aza 1 . 14 . 3506 . 1 1 7 LYS HB2 H 14.646 3.380 -12.824 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30342_6aza 1 . 14 . 3507 . 1 1 7 LYS HB3 H 16.347 3.107 -12.474 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30342_6aza 1 . 14 . 3508 . 1 1 7 LYS HD2 H 13.082 1.913 -12.608 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30342_6aza 1 . 14 . 3509 . 1 1 7 LYS HD3 H 13.449 0.188 -12.555 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30342_6aza 1 . 14 . 3510 . 1 1 7 LYS HE2 H 13.597 1.726 -10.017 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30342_6aza 1 . 14 . 3511 . 1 1 7 LYS HE3 H 12.000 1.377 -10.680 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30342_6aza 1 . 14 . 3512 . 1 1 7 LYS HG2 H 15.553 0.979 -12.900 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30342_6aza 1 . 14 . 3513 . 1 1 7 LYS HG3 H 15.519 1.067 -11.137 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30342_6aza 1 . 14 . 3514 . 1 1 7 LYS HZ1 H 12.257 -0.857 -10.372 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 14 . 3515 . 1 1 7 LYS HZ2 H 13.164 -0.285 -9.064 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 14 . 3516 . 1 1 7 LYS HZ3 H 13.945 -0.808 -10.470 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 14 . 3517 . 1 1 7 LYS N N 13.801 4.115 -10.604 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30342_6aza 1 . 14 . 3518 . 1 1 7 LYS NZ N 13.104 -0.319 -10.102 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30342_6aza 1 . 14 . 3519 . 1 1 7 LYS O O 16.260 5.633 -11.608 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30342_6aza 1 . 14 . 3520 . 1 1 8 GLY C C 17.217 7.185 -8.646 . . . 1.0 . . . . . . . . . . . . A . 8 GLY C . . . . . . . . . c30342_6aza 1 . 14 . 3521 . 1 1 8 GLY CA C 17.816 5.996 -9.372 . . . 1.0 . . . . . . . . . . . . A . 8 GLY CA . . . . . . . . . c30342_6aza 1 . 14 . 3522 . 1 1 8 GLY H H 16.730 4.253 -8.855 . . . 1.0 . . . . . . . . . . . . A . 8 GLY H . . . . . . . . . c30342_6aza 1 . 14 . 3523 . 1 1 8 GLY HA2 H 18.653 5.623 -8.800 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA2 . . . . . . . . . c30342_6aza 1 . 14 . 3524 . 1 1 8 GLY HA3 H 18.170 6.322 -10.339 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA3 . . . . . . . . . c30342_6aza 1 . 14 . 3525 . 1 1 8 GLY N N 16.859 4.922 -9.560 . . . 1.0 . . . . . . . . . . . . A . 8 GLY N . . . . . . . . . c30342_6aza 1 . 14 . 3526 . 1 1 8 GLY O O 17.929 7.935 -7.977 . . . 1.0 . . . . . . . . . . . . A . 8 GLY O . . . . . . . . . c30342_6aza 1 . 14 . 3527 . 1 1 9 ARG C C 14.224 7.953 -7.088 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c30342_6aza 1 . 14 . 3528 . 1 1 9 ARG CA C 15.213 8.465 -8.131 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c30342_6aza 1 . 14 . 3529 . 1 1 9 ARG CB C 14.479 9.313 -9.173 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c30342_6aza 1 . 14 . 3530 . 1 1 9 ARG CD C 14.708 10.801 -11.184 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c30342_6aza 1 . 14 . 3531 . 1 1 9 ARG CG C 15.388 10.262 -9.936 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c30342_6aza 1 . 14 . 3532 . 1 1 9 ARG CZ C 13.634 9.895 -13.201 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c30342_6aza 1 . 14 . 3533 . 1 1 9 ARG H H 15.393 6.726 -9.324 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c30342_6aza 1 . 14 . 3534 . 1 1 9 ARG HA H 15.953 9.078 -7.638 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c30342_6aza 1 . 14 . 3535 . 1 1 9 ARG HB2 H 14.003 8.654 -9.885 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c30342_6aza 1 . 14 . 3536 . 1 1 9 ARG HB3 H 13.722 9.897 -8.673 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c30342_6aza 1 . 14 . 3537 . 1 1 9 ARG HD2 H 13.768 11.251 -10.900 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c30342_6aza 1 . 14 . 3538 . 1 1 9 ARG HD3 H 15.344 11.551 -11.630 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c30342_6aza 1 . 14 . 3539 . 1 1 9 ARG HE H 14.916 8.897 -12.046 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c30342_6aza 1 . 14 . 3540 . 1 1 9 ARG HG2 H 15.648 11.091 -9.295 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c30342_6aza 1 . 14 . 3541 . 1 1 9 ARG HG3 H 16.285 9.733 -10.224 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c30342_6aza 1 . 14 . 3542 . 1 1 9 ARG HH11 H 13.128 11.799 -12.751 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c30342_6aza 1 . 14 . 3543 . 1 1 9 ARG HH12 H 12.377 11.148 -14.171 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c30342_6aza 1 . 14 . 3544 . 1 1 9 ARG HH21 H 13.935 8.028 -13.913 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c30342_6aza 1 . 14 . 3545 . 1 1 9 ARG HH22 H 12.837 9.004 -14.830 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c30342_6aza 1 . 14 . 3546 . 1 1 9 ARG N N 15.906 7.357 -8.778 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c30342_6aza 1 . 14 . 3547 . 1 1 9 ARG NE N 14.454 9.751 -12.166 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c30342_6aza 1 . 14 . 3548 . 1 1 9 ARG NH1 N 12.993 11.042 -13.390 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c30342_6aza 1 . 14 . 3549 . 1 1 9 ARG NH2 N 13.454 8.893 -14.052 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c30342_6aza 1 . 14 . 3550 . 1 1 9 ARG O O 13.235 7.301 -7.423 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c30342_6aza 1 . 14 . 3551 . 1 1 10 CYS C C 13.371 8.970 -3.762 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30342_6aza 1 . 14 . 3552 . 1 1 10 CYS CA C 13.636 7.821 -4.730 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30342_6aza 1 . 14 . 3553 . 1 1 10 CYS CB C 14.272 6.647 -3.983 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30342_6aza 1 . 14 . 3554 . 1 1 10 CYS H H 15.305 8.774 -5.619 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30342_6aza 1 . 14 . 3555 . 1 1 10 CYS HA H 12.698 7.501 -5.155 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30342_6aza 1 . 14 . 3556 . 1 1 10 CYS HB2 H 14.466 5.847 -4.683 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30342_6aza 1 . 14 . 3557 . 1 1 10 CYS HB3 H 15.205 6.969 -3.546 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30342_6aza 1 . 14 . 3558 . 1 1 10 CYS N N 14.500 8.251 -5.823 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30342_6aza 1 . 14 . 3559 . 1 1 10 CYS O O 14.299 9.530 -3.176 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30342_6aza 1 . 14 . 3560 . 1 1 10 CYS SG S 13.237 5.970 -2.644 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30342_6aza 1 . 14 . 3561 . 1 1 11 ARG C C 10.328 10.146 -2.110 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . c30342_6aza 1 . 14 . 3562 . 1 1 11 ARG CA C 11.710 10.400 -2.702 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . c30342_6aza 1 . 14 . 3563 . 1 1 11 ARG CB C 11.719 11.735 -3.448 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . c30342_6aza 1 . 14 . 3564 . 1 1 11 ARG CD C 12.902 13.950 -3.561 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . c30342_6aza 1 . 14 . 3565 . 1 1 11 ARG CG C 13.063 12.445 -3.410 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . c30342_6aza 1 . 14 . 3566 . 1 1 11 ARG CZ C 12.087 15.843 -2.219 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . c30342_6aza 1 . 14 . 3567 . 1 1 11 ARG H H 11.405 8.833 -4.093 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . c30342_6aza 1 . 14 . 3568 . 1 1 11 ARG HA H 12.431 10.441 -1.900 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . c30342_6aza 1 . 14 . 3569 . 1 1 11 ARG HB2 H 11.460 11.559 -4.482 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . c30342_6aza 1 . 14 . 3570 . 1 1 11 ARG HB3 H 10.980 12.385 -3.005 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . c30342_6aza 1 . 14 . 3571 . 1 1 11 ARG HD2 H 13.843 14.368 -3.890 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . c30342_6aza 1 . 14 . 3572 . 1 1 11 ARG HD3 H 12.143 14.144 -4.302 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . c30342_6aza 1 . 14 . 3573 . 1 1 11 ARG HE H 12.577 14.053 -1.486 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . c30342_6aza 1 . 14 . 3574 . 1 1 11 ARG HG2 H 13.543 12.239 -2.464 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . c30342_6aza 1 . 14 . 3575 . 1 1 11 ARG HG3 H 13.678 12.075 -4.216 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . c30342_6aza 1 . 14 . 3576 . 1 1 11 ARG HH11 H 12.243 16.209 -4.199 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . c30342_6aza 1 . 14 . 3577 . 1 1 11 ARG HH12 H 11.670 17.535 -3.243 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . c30342_6aza 1 . 14 . 3578 . 1 1 11 ARG HH21 H 11.822 15.791 -0.217 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . c30342_6aza 1 . 14 . 3579 . 1 1 11 ARG HH22 H 11.432 17.297 -0.977 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . c30342_6aza 1 . 14 . 3580 . 1 1 11 ARG N N 12.099 9.316 -3.598 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . c30342_6aza 1 . 14 . 3581 . 1 1 11 ARG NE N 12.515 14.587 -2.305 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . c30342_6aza 1 . 14 . 3582 . 1 1 11 ARG NH1 N 11.994 16.590 -3.309 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . c30342_6aza 1 . 14 . 3583 . 1 1 11 ARG NH2 N 11.754 16.352 -1.040 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . c30342_6aza 1 . 14 . 3584 . 1 1 11 ARG O O 9.537 9.357 -2.630 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . c30342_6aza 1 . 14 . 3585 . 1 1 12 PRO C C 7.591 11.297 -1.103 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . c30342_6aza 1 . 14 . 3586 . 1 1 12 PRO CA C 8.740 10.691 -0.306 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . c30342_6aza 1 . 14 . 3587 . 1 1 12 PRO CB C 8.953 11.464 0.999 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . c30342_6aza 1 . 14 . 3588 . 1 1 12 PRO CD C 10.922 11.783 -0.319 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . c30342_6aza 1 . 14 . 3589 . 1 1 12 PRO CG C 10.023 12.451 0.685 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . c30342_6aza 1 . 14 . 3590 . 1 1 12 PRO HA H 8.517 9.659 -0.082 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . c30342_6aza 1 . 14 . 3591 . 1 1 12 PRO HB2 H 8.033 11.954 1.283 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . c30342_6aza 1 . 14 . 3592 . 1 1 12 PRO HB3 H 9.260 10.783 1.779 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . c30342_6aza 1 . 14 . 3593 . 1 1 12 PRO HD2 H 11.312 12.507 -1.019 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . c30342_6aza 1 . 14 . 3594 . 1 1 12 PRO HD3 H 11.728 11.266 0.182 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . c30342_6aza 1 . 14 . 3595 . 1 1 12 PRO HG2 H 9.587 13.343 0.262 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . c30342_6aza 1 . 14 . 3596 . 1 1 12 PRO HG3 H 10.576 12.690 1.582 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . c30342_6aza 1 . 14 . 3597 . 1 1 12 PRO N N 10.028 10.827 -0.993 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . c30342_6aza 1 . 14 . 3598 . 1 1 12 PRO O O 7.747 12.333 -1.750 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . c30342_6aza 1 . 14 . 3599 . 1 1 13 LYS C C 4.533 12.203 -0.967 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c30342_6aza 1 . 14 . 3600 . 1 1 13 LYS CA C 5.255 11.123 -1.765 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c30342_6aza 1 . 14 . 3601 . 1 1 13 LYS CB C 4.301 9.960 -2.048 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c30342_6aza 1 . 14 . 3602 . 1 1 13 LYS CD C 3.287 8.664 -3.947 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c30342_6aza 1 . 14 . 3603 . 1 1 13 LYS CE C 3.560 7.914 -5.242 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c30342_6aza 1 . 14 . 3604 . 1 1 13 LYS CG C 4.559 9.272 -3.379 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c30342_6aza 1 . 14 . 3605 . 1 1 13 LYS H H 6.370 9.827 -0.515 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c30342_6aza 1 . 14 . 3606 . 1 1 13 LYS HA H 5.583 11.544 -2.703 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c30342_6aza 1 . 14 . 3607 . 1 1 13 LYS HB2 H 4.403 9.226 -1.262 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c30342_6aza 1 . 14 . 3608 . 1 1 13 LYS HB3 H 3.287 10.334 -2.051 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c30342_6aza 1 . 14 . 3609 . 1 1 13 LYS HD2 H 2.873 7.976 -3.226 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c30342_6aza 1 . 14 . 3610 . 1 1 13 LYS HD3 H 2.577 9.455 -4.142 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c30342_6aza 1 . 14 . 3611 . 1 1 13 LYS HE2 H 4.429 7.288 -5.105 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c30342_6aza 1 . 14 . 3612 . 1 1 13 LYS HE3 H 2.704 7.295 -5.471 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c30342_6aza 1 . 14 . 3613 . 1 1 13 LYS HG2 H 4.942 9.998 -4.080 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c30342_6aza 1 . 14 . 3614 . 1 1 13 LYS HG3 H 5.288 8.488 -3.232 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c30342_6aza 1 . 14 . 3615 . 1 1 13 LYS HZ1 H 4.174 8.315 -7.198 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 14 . 3616 . 1 1 13 LYS HZ2 H 4.500 9.565 -6.107 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 14 . 3617 . 1 1 13 LYS HZ3 H 2.921 9.313 -6.654 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 14 . 3618 . 1 1 13 LYS N N 6.433 10.647 -1.050 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c30342_6aza 1 . 14 . 3619 . 1 1 13 LYS NZ N 3.805 8.842 -6.380 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c30342_6aza 1 . 14 . 3620 . 1 1 13 LYS O O 4.670 12.304 0.253 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c30342_6aza 1 . 14 . 3621 . 1 1 14 PRO C C 1.838 13.599 -0.177 . . . 1.0 . . . . . . . . . . . . A . 14 PRO C . . . . . . . . . c30342_6aza 1 . 14 . 3622 . 1 1 14 PRO CA C 2.981 14.116 -1.043 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CA . . . . . . . . . c30342_6aza 1 . 14 . 3623 . 1 1 14 PRO CB C 2.433 14.899 -2.239 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CB . . . . . . . . . c30342_6aza 1 . 14 . 3624 . 1 1 14 PRO CD C 3.531 12.967 -3.124 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CD . . . . . . . . . c30342_6aza 1 . 14 . 3625 . 1 1 14 PRO CG C 2.376 13.905 -3.348 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CG . . . . . . . . . c30342_6aza 1 . 14 . 3626 . 1 1 14 PRO HA H 3.617 14.757 -0.452 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HA . . . . . . . . . c30342_6aza 1 . 14 . 3627 . 1 1 14 PRO HB2 H 1.452 15.284 -2.002 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB2 . . . . . . . . . c30342_6aza 1 . 14 . 3628 . 1 1 14 PRO HB3 H 3.099 15.715 -2.474 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB3 . . . . . . . . . c30342_6aza 1 . 14 . 3629 . 1 1 14 PRO HD2 H 3.268 11.966 -3.433 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD2 . . . . . . . . . c30342_6aza 1 . 14 . 3630 . 1 1 14 PRO HD3 H 4.405 13.311 -3.654 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD3 . . . . . . . . . c30342_6aza 1 . 14 . 3631 . 1 1 14 PRO HG2 H 1.442 13.366 -3.311 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG2 . . . . . . . . . c30342_6aza 1 . 14 . 3632 . 1 1 14 PRO HG3 H 2.483 14.409 -4.298 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG3 . . . . . . . . . c30342_6aza 1 . 14 . 3633 . 1 1 14 PRO N N 3.742 13.030 -1.667 . . . 1.0 . . . . . . . . . . . . A . 14 PRO N . . . . . . . . . c30342_6aza 1 . 14 . 3634 . 1 1 14 PRO O O 1.495 14.202 0.839 . . . 1.0 . . . . . . . . . . . . A . 14 PRO O . . . . . . . . . c30342_6aza 1 . 14 . 3635 . 1 1 15 ASN C C 0.660 10.890 1.195 . . . 1.0 . . . . . . . . . . . . A . 15 ASN C . . . . . . . . . c30342_6aza 1 . 14 . 3636 . 1 1 15 ASN CA C 0.146 11.881 0.154 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CA . . . . . . . . . c30342_6aza 1 . 14 . 3637 . 1 1 15 ASN CB C -0.815 11.176 -0.807 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CB . . . . . . . . . c30342_6aza 1 . 14 . 3638 . 1 1 15 ASN CG C -2.190 10.972 -0.200 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CG . . . . . . . . . c30342_6aza 1 . 14 . 3639 . 1 1 15 ASN H H 1.569 12.044 -1.405 . . . 1.0 . . . . . . . . . . . . A . 15 ASN H . . . . . . . . . c30342_6aza 1 . 14 . 3640 . 1 1 15 ASN HA H -0.383 12.675 0.660 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HA . . . . . . . . . c30342_6aza 1 . 14 . 3641 . 1 1 15 ASN HB2 H -0.922 11.772 -1.701 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB2 . . . . . . . . . c30342_6aza 1 . 14 . 3642 . 1 1 15 ASN HB3 H -0.410 10.210 -1.068 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB3 . . . . . . . . . c30342_6aza 1 . 14 . 3643 . 1 1 15 ASN HD21 H -1.704 9.122 0.344 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD21 . . . . . . . . . c30342_6aza 1 . 14 . 3644 . 1 1 15 ASN HD22 H -3.304 9.629 0.753 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD22 . . . . . . . . . c30342_6aza 1 . 14 . 3645 . 1 1 15 ASN N N 1.251 12.479 -0.586 . . . 1.0 . . . . . . . . . . . . A . 15 ASN N . . . . . . . . . c30342_6aza 1 . 14 . 3646 . 1 1 15 ASN ND2 N -2.423 9.789 0.356 . . . 1.0 . . . . . . . . . . . . A . 15 ASN ND2 . . . . . . . . . c30342_6aza 1 . 14 . 3647 . 1 1 15 ASN O O 0.026 10.673 2.227 . . . 1.0 . . . . . . . . . . . . A . 15 ASN O . . . . . . . . . c30342_6aza 1 . 14 . 3648 . 1 1 15 ASN OD1 O -3.034 11.868 -0.232 . . . 1.0 . . . . . . . . . . . . A . 15 ASN OD1 . . . . . . . . . c30342_6aza 1 . 14 . 3649 . 1 1 16 CYS C C 3.338 10.016 2.822 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c30342_6aza 1 . 14 . 3650 . 1 1 16 CYS CA C 2.414 9.324 1.824 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c30342_6aza 1 . 14 . 3651 . 1 1 16 CYS CB C 3.193 8.268 1.038 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c30342_6aza 1 . 14 . 3652 . 1 1 16 CYS H H 2.271 10.506 0.075 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c30342_6aza 1 . 14 . 3653 . 1 1 16 CYS HA H 1.617 8.840 2.368 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c30342_6aza 1 . 14 . 3654 . 1 1 16 CYS HB2 H 4.096 8.715 0.649 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c30342_6aza 1 . 14 . 3655 . 1 1 16 CYS HB3 H 3.455 7.458 1.702 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c30342_6aza 1 . 14 . 3656 . 1 1 16 CYS N N 1.813 10.292 0.914 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c30342_6aza 1 . 14 . 3657 . 1 1 16 CYS O O 4.201 10.807 2.440 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c30342_6aza 1 . 14 . 3658 . 1 1 16 CYS SG S 2.275 7.561 -0.368 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c30342_6aza 1 . 14 . 3659 . 1 1 17 GLY C C 3.227 11.359 5.940 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c30342_6aza 1 . 14 . 3660 . 1 1 17 GLY CA C 3.975 10.316 5.135 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c30342_6aza 1 . 14 . 3661 . 1 1 17 GLY H H 2.448 9.077 4.349 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c30342_6aza 1 . 14 . 3662 . 1 1 17 GLY HA2 H 4.320 9.541 5.803 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c30342_6aza 1 . 14 . 3663 . 1 1 17 GLY HA3 H 4.831 10.782 4.669 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c30342_6aza 1 . 14 . 3664 . 1 1 17 GLY N N 3.152 9.714 4.103 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c30342_6aza 1 . 14 . 3665 . 1 1 17 GLY O O 2.300 11.994 5.436 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c30342_6aza 1 . 14 . 3666 . 1 1 18 NH2 HN1 H 4.374 11.002 7.539 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . c30342_6aza 1 . 14 . 3667 . 1 1 18 NH2 HN2 H 3.190 12.206 7.795 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . c30342_6aza 1 . 14 . 3668 . 1 1 18 NH2 N N 3.628 11.537 7.194 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . c30342_6aza 1 . 15 . 3669 . 1 1 1 ARG C C 1.677 1.485 -1.730 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30342_6aza 1 . 15 . 3670 . 1 1 1 ARG CA C 1.966 0.192 -0.972 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30342_6aza 1 . 15 . 3671 . 1 1 1 ARG CB C 3.475 -0.048 -0.909 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30342_6aza 1 . 15 . 3672 . 1 1 1 ARG CD C 5.451 -1.037 -2.104 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30342_6aza 1 . 15 . 3673 . 1 1 1 ARG CG C 4.099 -0.358 -2.259 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30342_6aza 1 . 15 . 3674 . 1 1 1 ARG CZ C 7.098 -2.103 -3.586 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30342_6aza 1 . 15 . 3675 . 1 1 1 ARG H1 H 1.070 -0.889 -2.556 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30342_6aza 1 . 15 . 3676 . 1 1 1 ARG HA H 1.582 0.285 0.033 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30342_6aza 1 . 15 . 3677 . 1 1 1 ARG HB2 H 3.952 0.834 -0.511 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30342_6aza 1 . 15 . 3678 . 1 1 1 ARG HB3 H 3.667 -0.880 -0.248 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30342_6aza 1 . 15 . 3679 . 1 1 1 ARG HD2 H 6.079 -0.421 -1.476 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30342_6aza 1 . 15 . 3680 . 1 1 1 ARG HD3 H 5.305 -1.999 -1.637 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30342_6aza 1 . 15 . 3681 . 1 1 1 ARG HE H 5.816 -0.682 -4.145 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30342_6aza 1 . 15 . 3682 . 1 1 1 ARG HG2 H 3.441 -1.015 -2.808 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30342_6aza 1 . 15 . 3683 . 1 1 1 ARG HG3 H 4.229 0.563 -2.806 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30342_6aza 1 . 15 . 3684 . 1 1 1 ARG HH11 H 7.109 -2.773 -1.681 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30342_6aza 1 . 15 . 3685 . 1 1 1 ARG HH12 H 8.266 -3.517 -2.736 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30342_6aza 1 . 15 . 3686 . 1 1 1 ARG HH21 H 7.333 -1.653 -5.543 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30342_6aza 1 . 15 . 3687 . 1 1 1 ARG HH22 H 8.392 -2.879 -4.932 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30342_6aza 1 . 15 . 3688 . 1 1 1 ARG N N 1.298 -0.940 -1.604 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30342_6aza 1 . 15 . 3689 . 1 1 1 ARG NE N 6.116 -1.231 -3.391 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30342_6aza 1 . 15 . 3690 . 1 1 1 ARG NH1 N 7.527 -2.859 -2.586 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30342_6aza 1 . 15 . 3691 . 1 1 1 ARG NH2 N 7.654 -2.221 -4.785 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30342_6aza 1 . 15 . 3692 . 1 1 1 ARG O O 1.043 1.472 -2.785 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30342_6aza 1 . 15 . 3693 . 1 1 2 CYS C C 3.265 4.636 -1.992 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c30342_6aza 1 . 15 . 3694 . 1 1 2 CYS CA C 1.938 3.904 -1.806 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c30342_6aza 1 . 15 . 3695 . 1 1 2 CYS CB C 0.989 4.753 -0.957 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c30342_6aza 1 . 15 . 3696 . 1 1 2 CYS H H 2.644 2.550 -0.340 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c30342_6aza 1 . 15 . 3697 . 1 1 2 CYS HA H 1.493 3.742 -2.775 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c30342_6aza 1 . 15 . 3698 . 1 1 2 CYS HB2 H 0.815 5.695 -1.458 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c30342_6aza 1 . 15 . 3699 . 1 1 2 CYS HB3 H 0.051 4.230 -0.848 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c30342_6aza 1 . 15 . 3700 . 1 1 2 CYS N N 2.146 2.602 -1.184 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c30342_6aza 1 . 15 . 3701 . 1 1 2 CYS O O 3.339 5.857 -1.841 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c30342_6aza 1 . 15 . 3702 . 1 1 2 CYS SG S 1.615 5.124 0.713 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c30342_6aza 1 . 15 . 3703 . 1 1 3 LYS C C 6.148 4.144 -3.927 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . c30342_6aza 1 . 15 . 3704 . 1 1 3 LYS CA C 5.633 4.457 -2.526 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . c30342_6aza 1 . 15 . 3705 . 1 1 3 LYS CB C 6.613 3.923 -1.480 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . c30342_6aza 1 . 15 . 3706 . 1 1 3 LYS CD C 8.770 4.244 -0.232 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . c30342_6aza 1 . 15 . 3707 . 1 1 3 LYS CE C 8.211 4.161 1.180 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . c30342_6aza 1 . 15 . 3708 . 1 1 3 LYS CG C 7.769 4.866 -1.191 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . c30342_6aza 1 . 15 . 3709 . 1 1 3 LYS H H 4.186 2.916 -2.423 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . c30342_6aza 1 . 15 . 3710 . 1 1 3 LYS HA H 5.550 5.528 -2.417 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . c30342_6aza 1 . 15 . 3711 . 1 1 3 LYS HB2 H 6.078 3.751 -0.557 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . c30342_6aza 1 . 15 . 3712 . 1 1 3 LYS HB3 H 7.021 2.986 -1.831 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . c30342_6aza 1 . 15 . 3713 . 1 1 3 LYS HD2 H 9.010 3.249 -0.573 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . c30342_6aza 1 . 15 . 3714 . 1 1 3 LYS HD3 H 9.667 4.849 -0.220 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . c30342_6aza 1 . 15 . 3715 . 1 1 3 LYS HE2 H 7.846 5.135 1.467 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . c30342_6aza 1 . 15 . 3716 . 1 1 3 LYS HE3 H 7.395 3.454 1.188 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . c30342_6aza 1 . 15 . 3717 . 1 1 3 LYS HG2 H 8.272 5.099 -2.119 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . c30342_6aza 1 . 15 . 3718 . 1 1 3 LYS HG3 H 7.380 5.774 -0.753 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . c30342_6aza 1 . 15 . 3719 . 1 1 3 LYS HZ1 H 10.193 3.834 1.751 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 15 . 3720 . 1 1 3 LYS HZ2 H 9.101 2.720 2.403 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 15 . 3721 . 1 1 3 LYS HZ3 H 9.179 4.291 3.026 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 15 . 3722 . 1 1 3 LYS N N 4.309 3.882 -2.317 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . c30342_6aza 1 . 15 . 3723 . 1 1 3 LYS NZ N 9.244 3.721 2.159 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . c30342_6aza 1 . 15 . 3724 . 1 1 3 LYS O O 6.381 2.984 -4.270 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . c30342_6aza 1 . 15 . 3725 . 1 1 4 THR C C 8.217 5.596 -6.253 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30342_6aza 1 . 15 . 3726 . 1 1 4 THR CA C 6.813 5.021 -6.098 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30342_6aza 1 . 15 . 3727 . 1 1 4 THR CB C 5.877 5.702 -7.115 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30342_6aza 1 . 15 . 3728 . 1 1 4 THR CG2 C 6.093 5.137 -8.511 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30342_6aza 1 . 15 . 3729 . 1 1 4 THR H H 6.122 6.085 -4.404 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30342_6aza 1 . 15 . 3730 . 1 1 4 THR HA H 6.842 3.965 -6.317 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30342_6aza 1 . 15 . 3731 . 1 1 4 THR HB H 6.097 6.759 -7.133 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30342_6aza 1 . 15 . 3732 . 1 1 4 THR HG1 H 4.037 6.345 -6.812 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30342_6aza 1 . 15 . 3733 . 1 1 4 THR HG21 H 5.143 4.840 -8.930 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30342_6aza 1 . 15 . 3734 . 1 1 4 THR HG22 H 6.745 4.277 -8.454 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30342_6aza 1 . 15 . 3735 . 1 1 4 THR HG23 H 6.545 5.891 -9.138 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30342_6aza 1 . 15 . 3736 . 1 1 4 THR N N 6.325 5.186 -4.734 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30342_6aza 1 . 15 . 3737 . 1 1 4 THR O O 8.429 6.798 -6.085 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30342_6aza 1 . 15 . 3738 . 1 1 4 THR OG1 O 4.511 5.514 -6.726 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30342_6aza 1 . 15 . 3739 . 1 1 5 CYS C C 11.003 4.957 -8.199 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30342_6aza 1 . 15 . 3740 . 1 1 5 CYS CA C 10.556 5.153 -6.752 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30342_6aza 1 . 15 . 3741 . 1 1 5 CYS CB C 11.476 4.369 -5.813 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30342_6aza 1 . 15 . 3742 . 1 1 5 CYS H H 8.941 3.786 -6.695 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30342_6aza 1 . 15 . 3743 . 1 1 5 CYS HA H 10.618 6.203 -6.509 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30342_6aza 1 . 15 . 3744 . 1 1 5 CYS HB2 H 11.436 3.321 -6.076 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30342_6aza 1 . 15 . 3745 . 1 1 5 CYS HB3 H 12.488 4.726 -5.932 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30342_6aza 1 . 15 . 3746 . 1 1 5 CYS N N 9.172 4.732 -6.575 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30342_6aza 1 . 15 . 3747 . 1 1 5 CYS O O 10.957 3.848 -8.729 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30342_6aza 1 . 15 . 3748 . 1 1 5 CYS SG S 11.036 4.514 -4.051 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30342_6aza 1 . 15 . 3749 . 1 1 6 SER C C 13.246 5.307 -10.320 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . c30342_6aza 1 . 15 . 3750 . 1 1 6 SER CA C 11.887 5.993 -10.216 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . c30342_6aza 1 . 15 . 3751 . 1 1 6 SER CB C 11.971 7.406 -10.799 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . c30342_6aza 1 . 15 . 3752 . 1 1 6 SER H H 11.448 6.900 -8.354 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . c30342_6aza 1 . 15 . 3753 . 1 1 6 SER HA H 11.165 5.423 -10.780 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . c30342_6aza 1 . 15 . 3754 . 1 1 6 SER HB2 H 11.220 8.029 -10.339 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . c30342_6aza 1 . 15 . 3755 . 1 1 6 SER HB3 H 12.951 7.816 -10.601 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . c30342_6aza 1 . 15 . 3756 . 1 1 6 SER HG H 10.992 7.933 -12.413 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . c30342_6aza 1 . 15 . 3757 . 1 1 6 SER N N 11.436 6.043 -8.831 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . c30342_6aza 1 . 15 . 3758 . 1 1 6 SER O O 13.898 5.039 -9.312 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . c30342_6aza 1 . 15 . 3759 . 1 1 6 SER OG O 11.756 7.393 -12.200 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . c30342_6aza 1 . 15 . 3760 . 1 1 7 LYS C C 16.101 5.249 -11.327 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30342_6aza 1 . 15 . 3761 . 1 1 7 LYS CA C 14.946 4.368 -11.789 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30342_6aza 1 . 15 . 3762 . 1 1 7 LYS CB C 15.104 4.038 -13.274 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30342_6aza 1 . 15 . 3763 . 1 1 7 LYS CD C 15.235 1.532 -13.186 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30342_6aza 1 . 15 . 3764 . 1 1 7 LYS CE C 15.901 0.319 -13.821 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30342_6aza 1 . 15 . 3765 . 1 1 7 LYS CG C 15.966 2.816 -13.537 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30342_6aza 1 . 15 . 3766 . 1 1 7 LYS H H 13.099 5.260 -12.313 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30342_6aza 1 . 15 . 3767 . 1 1 7 LYS HA H 14.961 3.449 -11.222 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30342_6aza 1 . 15 . 3768 . 1 1 7 LYS HB2 H 14.125 3.861 -13.696 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30342_6aza 1 . 15 . 3769 . 1 1 7 LYS HB3 H 15.554 4.885 -13.773 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30342_6aza 1 . 15 . 3770 . 1 1 7 LYS HD2 H 15.236 1.407 -12.113 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30342_6aza 1 . 15 . 3771 . 1 1 7 LYS HD3 H 14.217 1.598 -13.541 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30342_6aza 1 . 15 . 3772 . 1 1 7 LYS HE2 H 15.735 0.351 -14.886 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30342_6aza 1 . 15 . 3773 . 1 1 7 LYS HE3 H 16.961 0.362 -13.620 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30342_6aza 1 . 15 . 3774 . 1 1 7 LYS HG2 H 16.231 2.793 -14.584 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30342_6aza 1 . 15 . 3775 . 1 1 7 LYS HG3 H 16.864 2.884 -12.939 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30342_6aza 1 . 15 . 3776 . 1 1 7 LYS HZ1 H 14.673 -0.762 -12.523 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 15 . 3777 . 1 1 7 LYS HZ2 H 16.126 -1.540 -12.899 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 15 . 3778 . 1 1 7 LYS HZ3 H 14.877 -1.488 -14.038 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 15 . 3779 . 1 1 7 LYS N N 13.665 5.023 -11.549 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30342_6aza 1 . 15 . 3780 . 1 1 7 LYS NZ N 15.356 -0.957 -13.283 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30342_6aza 1 . 15 . 3781 . 1 1 7 LYS O O 16.517 6.166 -12.034 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30342_6aza 1 . 15 . 3782 . 1 1 8 GLY C C 17.295 6.659 -8.474 . . . 1.0 . . . . . . . . . . . . A . 8 GLY C . . . . . . . . . c30342_6aza 1 . 15 . 3783 . 1 1 8 GLY CA C 17.723 5.740 -9.600 . . . 1.0 . . . . . . . . . . . . A . 8 GLY CA . . . . . . . . . c30342_6aza 1 . 15 . 3784 . 1 1 8 GLY H H 16.247 4.222 -9.614 . . . 1.0 . . . . . . . . . . . . A . 8 GLY H . . . . . . . . . c30342_6aza 1 . 15 . 3785 . 1 1 8 GLY HA2 H 18.480 5.064 -9.232 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA2 . . . . . . . . . c30342_6aza 1 . 15 . 3786 . 1 1 8 GLY HA3 H 18.147 6.338 -10.395 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA3 . . . . . . . . . c30342_6aza 1 . 15 . 3787 . 1 1 8 GLY N N 16.618 4.964 -10.136 . . . 1.0 . . . . . . . . . . . . A . 8 GLY N . . . . . . . . . c30342_6aza 1 . 15 . 3788 . 1 1 8 GLY O O 18.095 6.999 -7.603 . . . 1.0 . . . . . . . . . . . . A . 8 GLY O . . . . . . . . . c30342_6aza 1 . 15 . 3789 . 1 1 9 ARG C C 14.417 7.251 -6.646 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c30342_6aza 1 . 15 . 3790 . 1 1 9 ARG CA C 15.497 7.952 -7.465 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c30342_6aza 1 . 15 . 3791 . 1 1 9 ARG CB C 14.925 9.219 -8.103 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c30342_6aza 1 . 15 . 3792 . 1 1 9 ARG CD C 15.450 11.181 -9.583 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c30342_6aza 1 . 15 . 3793 . 1 1 9 ARG CG C 15.987 10.215 -8.539 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c30342_6aza 1 . 15 . 3794 . 1 1 9 ARG CZ C 16.575 10.365 -11.609 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c30342_6aza 1 . 15 . 3795 . 1 1 9 ARG H H 15.440 6.759 -9.212 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c30342_6aza 1 . 15 . 3796 . 1 1 9 ARG HA H 16.309 8.226 -6.809 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c30342_6aza 1 . 15 . 3797 . 1 1 9 ARG HB2 H 14.345 8.942 -8.970 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c30342_6aza 1 . 15 . 3798 . 1 1 9 ARG HB3 H 14.278 9.708 -7.389 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c30342_6aza 1 . 15 . 3799 . 1 1 9 ARG HD2 H 14.435 11.441 -9.323 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c30342_6aza 1 . 15 . 3800 . 1 1 9 ARG HD3 H 16.062 12.071 -9.577 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c30342_6aza 1 . 15 . 3801 . 1 1 9 ARG HE H 14.601 10.384 -11.331 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c30342_6aza 1 . 15 . 3802 . 1 1 9 ARG HG2 H 16.318 10.777 -7.679 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c30342_6aza 1 . 15 . 3803 . 1 1 9 ARG HG3 H 16.822 9.673 -8.959 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c30342_6aza 1 . 15 . 3804 . 1 1 9 ARG HH11 H 17.813 11.048 -10.167 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c30342_6aza 1 . 15 . 3805 . 1 1 9 ARG HH12 H 18.595 10.469 -11.602 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c30342_6aza 1 . 15 . 3806 . 1 1 9 ARG HH21 H 15.616 9.619 -13.225 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c30342_6aza 1 . 15 . 3807 . 1 1 9 ARG HH22 H 17.343 9.656 -13.340 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c30342_6aza 1 . 15 . 3808 . 1 1 9 ARG N N 16.029 7.065 -8.491 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c30342_6aza 1 . 15 . 3809 . 1 1 9 ARG NE N 15.464 10.604 -10.924 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c30342_6aza 1 . 15 . 3810 . 1 1 9 ARG NH1 N 17.758 10.651 -11.083 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c30342_6aza 1 . 15 . 3811 . 1 1 9 ARG NH2 N 16.505 9.836 -12.825 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c30342_6aza 1 . 15 . 3812 . 1 1 9 ARG O O 13.598 6.506 -7.187 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c30342_6aza 1 . 15 . 3813 . 1 1 10 CYS C C 13.141 7.803 -3.265 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30342_6aza 1 . 15 . 3814 . 1 1 10 CYS CA C 13.446 6.883 -4.445 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30342_6aza 1 . 15 . 3815 . 1 1 10 CYS CB C 13.960 5.536 -3.933 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30342_6aza 1 . 15 . 3816 . 1 1 10 CYS H H 15.102 8.094 -4.967 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30342_6aza 1 . 15 . 3817 . 1 1 10 CYS HA H 12.537 6.723 -5.004 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30342_6aza 1 . 15 . 3818 . 1 1 10 CYS HB2 H 14.268 4.934 -4.777 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30342_6aza 1 . 15 . 3819 . 1 1 10 CYS HB3 H 14.811 5.704 -3.290 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30342_6aza 1 . 15 . 3820 . 1 1 10 CYS N N 14.423 7.492 -5.339 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30342_6aza 1 . 15 . 3821 . 1 1 10 CYS O O 13.984 8.011 -2.393 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30342_6aza 1 . 15 . 3822 . 1 1 10 CYS SG S 12.730 4.579 -2.990 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30342_6aza 1 . 15 . 3823 . 1 1 11 ARG C C 10.014 9.135 -1.925 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . c30342_6aza 1 . 15 . 3824 . 1 1 11 ARG CA C 11.513 9.248 -2.177 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . c30342_6aza 1 . 15 . 3825 . 1 1 11 ARG CB C 11.874 10.695 -2.527 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . c30342_6aza 1 . 15 . 3826 . 1 1 11 ARG CD C 13.720 12.387 -2.725 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . c30342_6aza 1 . 15 . 3827 . 1 1 11 ARG CG C 13.253 11.112 -2.043 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . c30342_6aza 1 . 15 . 3828 . 1 1 11 ARG CZ C 15.259 14.242 -2.238 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . c30342_6aza 1 . 15 . 3829 . 1 1 11 ARG H H 11.302 8.146 -3.972 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . c30342_6aza 1 . 15 . 3830 . 1 1 11 ARG HA H 12.041 8.962 -1.280 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . c30342_6aza 1 . 15 . 3831 . 1 1 11 ARG HB2 H 11.842 10.812 -3.599 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . c30342_6aza 1 . 15 . 3832 . 1 1 11 ARG HB3 H 11.145 11.351 -2.078 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . c30342_6aza 1 . 15 . 3833 . 1 1 11 ARG HD2 H 14.010 12.153 -3.739 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . c30342_6aza 1 . 15 . 3834 . 1 1 11 ARG HD3 H 12.902 13.092 -2.740 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . c30342_6aza 1 . 15 . 3835 . 1 1 11 ARG HE H 15.343 12.439 -1.389 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . c30342_6aza 1 . 15 . 3836 . 1 1 11 ARG HG2 H 13.215 11.280 -0.978 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . c30342_6aza 1 . 15 . 3837 . 1 1 11 ARG HG3 H 13.955 10.319 -2.259 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . c30342_6aza 1 . 15 . 3838 . 1 1 11 ARG HH11 H 13.835 14.657 -3.610 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . c30342_6aza 1 . 15 . 3839 . 1 1 11 ARG HH12 H 14.925 15.956 -3.258 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . c30342_6aza 1 . 15 . 3840 . 1 1 11 ARG HH21 H 16.785 14.143 -0.917 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . c30342_6aza 1 . 15 . 3841 . 1 1 11 ARG HH22 H 16.604 15.662 -1.727 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . c30342_6aza 1 . 15 . 3842 . 1 1 11 ARG N N 11.930 8.350 -3.248 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . c30342_6aza 1 . 15 . 3843 . 1 1 11 ARG NE N 14.856 12.993 -2.036 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . c30342_6aza 1 . 15 . 3844 . 1 1 11 ARG NH1 N 14.621 15.016 -3.107 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . c30342_6aza 1 . 15 . 3845 . 1 1 11 ARG NH2 N 16.301 14.722 -1.572 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . c30342_6aza 1 . 15 . 3846 . 1 1 11 ARG O O 9.252 8.656 -2.766 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . c30342_6aza 1 . 15 . 3847 . 1 1 12 PRO C C 7.313 10.525 -1.143 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . c30342_6aza 1 . 15 . 3848 . 1 1 12 PRO CA C 8.165 9.541 -0.348 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . c30342_6aza 1 . 15 . 3849 . 1 1 12 PRO CB C 8.194 9.933 1.132 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . c30342_6aza 1 . 15 . 3850 . 1 1 12 PRO CD C 10.428 10.164 0.313 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . c30342_6aza 1 . 15 . 3851 . 1 1 12 PRO CG C 9.437 10.741 1.284 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . c30342_6aza 1 . 15 . 3852 . 1 1 12 PRO HA H 7.753 8.547 -0.451 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . c30342_6aza 1 . 15 . 3853 . 1 1 12 PRO HB2 H 7.314 10.511 1.371 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . c30342_6aza 1 . 15 . 3854 . 1 1 12 PRO HB3 H 8.225 9.043 1.743 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . c30342_6aza 1 . 15 . 3855 . 1 1 12 PRO HD2 H 11.060 10.943 -0.089 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . c30342_6aza 1 . 15 . 3856 . 1 1 12 PRO HD3 H 11.024 9.401 0.790 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . c30342_6aza 1 . 15 . 3857 . 1 1 12 PRO HG2 H 9.233 11.773 1.046 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . c30342_6aza 1 . 15 . 3858 . 1 1 12 PRO HG3 H 9.809 10.654 2.294 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . c30342_6aza 1 . 15 . 3859 . 1 1 12 PRO N N 9.576 9.582 -0.739 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . c30342_6aza 1 . 15 . 3860 . 1 1 12 PRO O O 7.754 11.633 -1.454 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . c30342_6aza 1 . 15 . 3861 . 1 1 13 LYS C C 4.490 11.973 -1.312 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c30342_6aza 1 . 15 . 3862 . 1 1 13 LYS CA C 5.178 10.963 -2.225 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c30342_6aza 1 . 15 . 3863 . 1 1 13 LYS CB C 4.129 10.107 -2.938 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c30342_6aza 1 . 15 . 3864 . 1 1 13 LYS CD C 3.680 8.679 -4.956 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c30342_6aza 1 . 15 . 3865 . 1 1 13 LYS CE C 2.176 8.904 -4.969 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c30342_6aza 1 . 15 . 3866 . 1 1 13 LYS CG C 4.421 9.890 -4.412 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c30342_6aza 1 . 15 . 3867 . 1 1 13 LYS H H 5.798 9.224 -1.191 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c30342_6aza 1 . 15 . 3868 . 1 1 13 LYS HA H 5.755 11.498 -2.963 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c30342_6aza 1 . 15 . 3869 . 1 1 13 LYS HB2 H 4.082 9.141 -2.456 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c30342_6aza 1 . 15 . 3870 . 1 1 13 LYS HB3 H 3.166 10.590 -2.850 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c30342_6aza 1 . 15 . 3871 . 1 1 13 LYS HD2 H 4.014 8.485 -5.963 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c30342_6aza 1 . 15 . 3872 . 1 1 13 LYS HD3 H 3.901 7.824 -4.331 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c30342_6aza 1 . 15 . 3873 . 1 1 13 LYS HE2 H 1.818 8.923 -3.952 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c30342_6aza 1 . 15 . 3874 . 1 1 13 LYS HE3 H 1.973 9.854 -5.441 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c30342_6aza 1 . 15 . 3875 . 1 1 13 LYS HG2 H 4.109 10.765 -4.963 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c30342_6aza 1 . 15 . 3876 . 1 1 13 LYS HG3 H 5.483 9.739 -4.541 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c30342_6aza 1 . 15 . 3877 . 1 1 13 LYS HZ1 H 0.531 7.656 -5.284 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 15 . 3878 . 1 1 13 LYS HZ2 H 2.014 6.950 -5.691 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 15 . 3879 . 1 1 13 LYS HZ3 H 1.325 8.115 -6.707 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 15 . 3880 . 1 1 13 LYS N N 6.092 10.117 -1.467 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c30342_6aza 1 . 15 . 3881 . 1 1 13 LYS NZ N 1.461 7.832 -5.716 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c30342_6aza 1 . 15 . 3882 . 1 1 13 LYS O O 4.389 11.784 -0.101 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c30342_6aza 1 . 15 . 3883 . 1 1 14 PRO C C 1.951 13.690 -0.651 . . . 1.0 . . . . . . . . . . . . A . 14 PRO C . . . . . . . . . c30342_6aza 1 . 15 . 3884 . 1 1 14 PRO CA C 3.314 14.134 -1.166 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CA . . . . . . . . . c30342_6aza 1 . 15 . 3885 . 1 1 14 PRO CB C 3.158 15.247 -2.204 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CB . . . . . . . . . c30342_6aza 1 . 15 . 3886 . 1 1 14 PRO CD C 4.088 13.366 -3.348 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CD . . . . . . . . . c30342_6aza 1 . 15 . 3887 . 1 1 14 PRO CG C 3.171 14.545 -3.518 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CG . . . . . . . . . c30342_6aza 1 . 15 . 3888 . 1 1 14 PRO HA H 3.910 14.492 -0.339 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HA . . . . . . . . . c30342_6aza 1 . 15 . 3889 . 1 1 14 PRO HB2 H 2.223 15.766 -2.042 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB2 . . . . . . . . . c30342_6aza 1 . 15 . 3890 . 1 1 14 PRO HB3 H 3.980 15.943 -2.120 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB3 . . . . . . . . . c30342_6aza 1 . 15 . 3891 . 1 1 14 PRO HD2 H 3.739 12.528 -3.932 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD2 . . . . . . . . . c30342_6aza 1 . 15 . 3892 . 1 1 14 PRO HD3 H 5.097 13.629 -3.628 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD3 . . . . . . . . . c30342_6aza 1 . 15 . 3893 . 1 1 14 PRO HG2 H 2.175 14.214 -3.767 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG2 . . . . . . . . . c30342_6aza 1 . 15 . 3894 . 1 1 14 PRO HG3 H 3.550 15.206 -4.284 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG3 . . . . . . . . . c30342_6aza 1 . 15 . 3895 . 1 1 14 PRO N N 4.004 13.074 -1.906 . . . 1.0 . . . . . . . . . . . . A . 14 PRO N . . . . . . . . . c30342_6aza 1 . 15 . 3896 . 1 1 14 PRO O O 1.520 14.096 0.429 . . . 1.0 . . . . . . . . . . . . A . 14 PRO O . . . . . . . . . c30342_6aza 1 . 15 . 3897 . 1 1 15 ASN C C 0.068 11.301 0.046 . . . 1.0 . . . . . . . . . . . . A . 15 ASN C . . . . . . . . . c30342_6aza 1 . 15 . 3898 . 1 1 15 ASN CA C -0.045 12.353 -1.053 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CA . . . . . . . . . c30342_6aza 1 . 15 . 3899 . 1 1 15 ASN CB C -0.758 11.762 -2.270 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CB . . . . . . . . . c30342_6aza 1 . 15 . 3900 . 1 1 15 ASN CG C -2.256 11.647 -2.064 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CG . . . . . . . . . c30342_6aza 1 . 15 . 3901 . 1 1 15 ASN H H 1.667 12.565 -2.279 . . . 1.0 . . . . . . . . . . . . A . 15 ASN H . . . . . . . . . c30342_6aza 1 . 15 . 3902 . 1 1 15 ASN HA H -0.621 13.187 -0.679 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HA . . . . . . . . . c30342_6aza 1 . 15 . 3903 . 1 1 15 ASN HB2 H -0.580 12.396 -3.127 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB2 . . . . . . . . . c30342_6aza 1 . 15 . 3904 . 1 1 15 ASN HB3 H -0.362 10.777 -2.468 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB3 . . . . . . . . . c30342_6aza 1 . 15 . 3905 . 1 1 15 ASN HD21 H -2.406 13.621 -1.873 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD21 . . . . . . . . . c30342_6aza 1 . 15 . 3906 . 1 1 15 ASN HD22 H -3.885 12.737 -1.735 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD22 . . . . . . . . . c30342_6aza 1 . 15 . 3907 . 1 1 15 ASN N N 1.273 12.853 -1.430 . . . 1.0 . . . . . . . . . . . . A . 15 ASN N . . . . . . . . . c30342_6aza 1 . 15 . 3908 . 1 1 15 ASN ND2 N -2.916 12.782 -1.871 . . . 1.0 . . . . . . . . . . . . A . 15 ASN ND2 . . . . . . . . . c30342_6aza 1 . 15 . 3909 . 1 1 15 ASN O O -0.847 11.130 0.853 . . . 1.0 . . . . . . . . . . . . A . 15 ASN O . . . . . . . . . c30342_6aza 1 . 15 . 3910 . 1 1 15 ASN OD1 O -2.812 10.548 -2.078 . . . 1.0 . . . . . . . . . . . . A . 15 ASN OD1 . . . . . . . . . c30342_6aza 1 . 15 . 3911 . 1 1 16 CYS C C 2.700 9.846 1.862 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c30342_6aza 1 . 15 . 3912 . 1 1 16 CYS CA C 1.428 9.561 1.070 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c30342_6aza 1 . 15 . 3913 . 1 1 16 CYS CB C 1.529 8.190 0.398 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c30342_6aza 1 . 15 . 3914 . 1 1 16 CYS H H 1.887 10.779 -0.599 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c30342_6aza 1 . 15 . 3915 . 1 1 16 CYS HA H 0.589 9.559 1.748 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c30342_6aza 1 . 15 . 3916 . 1 1 16 CYS HB2 H 1.095 8.248 -0.590 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c30342_6aza 1 . 15 . 3917 . 1 1 16 CYS HB3 H 2.570 7.916 0.313 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c30342_6aza 1 . 15 . 3918 . 1 1 16 CYS N N 1.194 10.597 0.071 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c30342_6aza 1 . 15 . 3919 . 1 1 16 CYS O O 3.455 8.934 2.196 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c30342_6aza 1 . 15 . 3920 . 1 1 16 CYS SG S 0.676 6.856 1.299 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c30342_6aza 1 . 15 . 3921 . 1 1 17 GLY C C 3.784 12.397 4.094 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c30342_6aza 1 . 15 . 3922 . 1 1 17 GLY CA C 4.111 11.505 2.913 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c30342_6aza 1 . 15 . 3923 . 1 1 17 GLY H H 2.294 11.807 1.870 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c30342_6aza 1 . 15 . 3924 . 1 1 17 GLY HA2 H 4.600 10.612 3.275 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c30342_6aza 1 . 15 . 3925 . 1 1 17 GLY HA3 H 4.787 12.031 2.255 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c30342_6aza 1 . 15 . 3926 . 1 1 17 GLY N N 2.931 11.122 2.162 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c30342_6aza 1 . 15 . 3927 . 1 1 17 GLY O O 4.234 12.150 5.211 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c30342_6aza 1 . 15 . 3928 . 1 1 18 NH2 HN1 H 2.669 13.585 2.933 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . c30342_6aza 1 . 15 . 3929 . 1 1 18 NH2 HN2 H 2.732 14.079 4.566 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . c30342_6aza 1 . 15 . 3930 . 1 1 18 NH2 N N 2.997 13.440 3.845 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . c30342_6aza 1 . 16 . 3931 . 1 1 1 ARG C C 0.794 1.567 -3.817 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30342_6aza 1 . 16 . 3932 . 1 1 1 ARG CA C 1.025 0.067 -3.645 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30342_6aza 1 . 16 . 3933 . 1 1 1 ARG CB C -0.149 -0.711 -4.238 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30342_6aza 1 . 16 . 3934 . 1 1 1 ARG CD C -1.457 -1.145 -6.339 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30342_6aza 1 . 16 . 3935 . 1 1 1 ARG CG C -0.087 -0.849 -5.750 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30342_6aza 1 . 16 . 3936 . 1 1 1 ARG CZ C -3.317 -2.705 -5.951 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30342_6aza 1 . 16 . 3937 . 1 1 1 ARG H1 H 1.634 -1.118 -2.001 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30342_6aza 1 . 16 . 3938 . 1 1 1 ARG HA H 1.929 -0.207 -4.167 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30342_6aza 1 . 16 . 3939 . 1 1 1 ARG HB2 H -0.163 -1.702 -3.809 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30342_6aza 1 . 16 . 3940 . 1 1 1 ARG HB3 H -1.067 -0.204 -3.982 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30342_6aza 1 . 16 . 3941 . 1 1 1 ARG HD2 H -2.110 -0.308 -6.140 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30342_6aza 1 . 16 . 3942 . 1 1 1 ARG HD3 H -1.356 -1.274 -7.406 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30342_6aza 1 . 16 . 3943 . 1 1 1 ARG HE H -1.471 -2.929 -5.227 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30342_6aza 1 . 16 . 3944 . 1 1 1 ARG HG2 H 0.282 0.074 -6.172 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30342_6aza 1 . 16 . 3945 . 1 1 1 ARG HG3 H 0.586 -1.656 -6.002 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30342_6aza 1 . 16 . 3946 . 1 1 1 ARG HH11 H -3.775 -1.107 -7.098 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30342_6aza 1 . 16 . 3947 . 1 1 1 ARG HH12 H -5.076 -2.215 -6.815 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30342_6aza 1 . 16 . 3948 . 1 1 1 ARG HH21 H -3.177 -4.395 -4.849 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30342_6aza 1 . 16 . 3949 . 1 1 1 ARG HH22 H -4.736 -4.084 -5.536 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30342_6aza 1 . 16 . 3950 . 1 1 1 ARG N N 1.200 -0.273 -2.238 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30342_6aza 1 . 16 . 3951 . 1 1 1 ARG NE N -2.049 -2.352 -5.771 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30342_6aza 1 . 16 . 3952 . 1 1 1 ARG NH1 N -4.122 -1.947 -6.680 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30342_6aza 1 . 16 . 3953 . 1 1 1 ARG NH2 N -3.782 -3.820 -5.400 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30342_6aza 1 . 16 . 3954 . 1 1 1 ARG O O 0.012 1.991 -4.667 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30342_6aza 1 . 16 . 3955 . 1 1 2 CYS C C 2.695 4.468 -3.371 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c30342_6aza 1 . 16 . 3956 . 1 1 2 CYS CA C 1.351 3.813 -3.065 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c30342_6aza 1 . 16 . 3957 . 1 1 2 CYS CB C 0.799 4.352 -1.744 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c30342_6aza 1 . 16 . 3958 . 1 1 2 CYS H H 2.091 1.965 -2.347 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c30342_6aza 1 . 16 . 3959 . 1 1 2 CYS HA H 0.659 4.052 -3.859 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c30342_6aza 1 . 16 . 3960 . 1 1 2 CYS HB2 H -0.181 3.929 -1.573 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c30342_6aza 1 . 16 . 3961 . 1 1 2 CYS HB3 H 1.456 4.060 -0.940 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c30342_6aza 1 . 16 . 3962 . 1 1 2 CYS N N 1.481 2.363 -3.004 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c30342_6aza 1 . 16 . 3963 . 1 1 2 CYS O O 2.764 5.471 -4.083 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c30342_6aza 1 . 16 . 3964 . 1 1 2 CYS SG S 0.634 6.166 -1.693 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c30342_6aza 1 . 16 . 3965 . 1 1 3 LYS C C 5.694 3.891 -4.349 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . c30342_6aza 1 . 16 . 3966 . 1 1 3 LYS CA C 5.107 4.418 -3.044 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . c30342_6aza 1 . 16 . 3967 . 1 1 3 LYS CB C 6.018 4.040 -1.874 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . c30342_6aza 1 . 16 . 3968 . 1 1 3 LYS CD C 8.349 4.720 -2.518 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . c30342_6aza 1 . 16 . 3969 . 1 1 3 LYS CE C 9.254 3.678 -1.879 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . c30342_6aza 1 . 16 . 3970 . 1 1 3 LYS CG C 7.148 5.027 -1.639 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . c30342_6aza 1 . 16 . 3971 . 1 1 3 LYS H H 3.645 3.096 -2.271 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . c30342_6aza 1 . 16 . 3972 . 1 1 3 LYS HA H 5.038 5.493 -3.103 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . c30342_6aza 1 . 16 . 3973 . 1 1 3 LYS HB2 H 5.423 3.985 -0.974 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . c30342_6aza 1 . 16 . 3974 . 1 1 3 LYS HB3 H 6.451 3.070 -2.069 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . c30342_6aza 1 . 16 . 3975 . 1 1 3 LYS HD2 H 8.002 4.346 -3.469 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . c30342_6aza 1 . 16 . 3976 . 1 1 3 LYS HD3 H 8.914 5.629 -2.670 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . c30342_6aza 1 . 16 . 3977 . 1 1 3 LYS HE2 H 10.267 3.852 -2.205 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . c30342_6aza 1 . 16 . 3978 . 1 1 3 LYS HE3 H 9.198 3.780 -0.805 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . c30342_6aza 1 . 16 . 3979 . 1 1 3 LYS HG2 H 6.796 6.024 -1.865 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . c30342_6aza 1 . 16 . 3980 . 1 1 3 LYS HG3 H 7.449 4.976 -0.602 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . c30342_6aza 1 . 16 . 3981 . 1 1 3 LYS HZ1 H 8.304 1.858 -1.486 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 16 . 3982 . 1 1 3 LYS HZ2 H 9.699 1.713 -2.430 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 16 . 3983 . 1 1 3 LYS HZ3 H 8.272 2.310 -3.116 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 16 . 3984 . 1 1 3 LYS N N 3.763 3.893 -2.829 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . c30342_6aza 1 . 16 . 3985 . 1 1 3 LYS NZ N 8.854 2.292 -2.254 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . c30342_6aza 1 . 16 . 3986 . 1 1 3 LYS O O 5.939 2.693 -4.494 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . c30342_6aza 1 . 16 . 3987 . 1 1 4 THR C C 7.606 5.361 -6.997 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30342_6aza 1 . 16 . 3988 . 1 1 4 THR CA C 6.478 4.421 -6.592 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30342_6aza 1 . 16 . 3989 . 1 1 4 THR CB C 5.400 4.424 -7.693 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30342_6aza 1 . 16 . 3990 . 1 1 4 THR CG2 C 4.607 5.722 -7.667 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30342_6aza 1 . 16 . 3991 . 1 1 4 THR H H 5.703 5.733 -5.125 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30342_6aza 1 . 16 . 3992 . 1 1 4 THR HA H 6.872 3.417 -6.509 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30342_6aza 1 . 16 . 3993 . 1 1 4 THR HB H 4.722 3.602 -7.516 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30342_6aza 1 . 16 . 3994 . 1 1 4 THR HG1 H 5.531 3.594 -9.477 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30342_6aza 1 . 16 . 3995 . 1 1 4 THR HG21 H 4.547 6.129 -8.666 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30342_6aza 1 . 16 . 3996 . 1 1 4 THR HG22 H 5.099 6.433 -7.018 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30342_6aza 1 . 16 . 3997 . 1 1 4 THR HG23 H 3.611 5.527 -7.297 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30342_6aza 1 . 16 . 3998 . 1 1 4 THR N N 5.920 4.793 -5.300 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30342_6aza 1 . 16 . 3999 . 1 1 4 THR O O 7.567 6.557 -6.702 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30342_6aza 1 . 16 . 4000 . 1 1 4 THR OG1 O 6.011 4.261 -8.978 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30342_6aza 1 . 16 . 4001 . 1 1 5 CYS C C 10.639 4.802 -9.065 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30342_6aza 1 . 16 . 4002 . 1 1 5 CYS CA C 9.752 5.609 -8.120 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30342_6aza 1 . 16 . 4003 . 1 1 5 CYS CB C 10.569 6.087 -6.919 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30342_6aza 1 . 16 . 4004 . 1 1 5 CYS H H 8.587 3.858 -7.879 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30342_6aza 1 . 16 . 4005 . 1 1 5 CYS HA H 9.371 6.469 -8.651 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30342_6aza 1 . 16 . 4006 . 1 1 5 CYS HB2 H 11.348 6.751 -7.264 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30342_6aza 1 . 16 . 4007 . 1 1 5 CYS HB3 H 9.920 6.623 -6.241 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30342_6aza 1 . 16 . 4008 . 1 1 5 CYS N N 8.612 4.817 -7.674 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30342_6aza 1 . 16 . 4009 . 1 1 5 CYS O O 10.409 3.613 -9.284 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30342_6aza 1 . 16 . 4010 . 1 1 5 CYS SG S 11.365 4.744 -5.979 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30342_6aza 1 . 16 . 4011 . 1 1 6 SER C C 13.771 4.222 -9.794 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . c30342_6aza 1 . 16 . 4012 . 1 1 6 SER CA C 12.574 4.802 -10.540 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . c30342_6aza 1 . 16 . 4013 . 1 1 6 SER CB C 13.053 5.792 -11.605 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . c30342_6aza 1 . 16 . 4014 . 1 1 6 SER H H 11.785 6.405 -9.402 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . c30342_6aza 1 . 16 . 4015 . 1 1 6 SER HA H 12.042 3.997 -11.023 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . c30342_6aza 1 . 16 . 4016 . 1 1 6 SER HB2 H 13.907 6.335 -11.228 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . c30342_6aza 1 . 16 . 4017 . 1 1 6 SER HB3 H 13.334 5.249 -12.496 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . c30342_6aza 1 . 16 . 4018 . 1 1 6 SER HG H 12.302 7.229 -12.702 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . c30342_6aza 1 . 16 . 4019 . 1 1 6 SER N N 11.654 5.457 -9.618 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . c30342_6aza 1 . 16 . 4020 . 1 1 6 SER O O 13.965 4.486 -8.607 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . c30342_6aza 1 . 16 . 4021 . 1 1 6 SER OG O 12.033 6.717 -11.937 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . c30342_6aza 1 . 16 . 4022 . 1 1 7 LYS C C 16.833 3.852 -9.631 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30342_6aza 1 . 16 . 4023 . 1 1 7 LYS CA C 15.753 2.811 -9.904 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30342_6aza 1 . 16 . 4024 . 1 1 7 LYS CB C 16.301 1.721 -10.828 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30342_6aza 1 . 16 . 4025 . 1 1 7 LYS CD C 15.921 -0.376 -9.499 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30342_6aza 1 . 16 . 4026 . 1 1 7 LYS CE C 17.124 -1.273 -9.755 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30342_6aza 1 . 16 . 4027 . 1 1 7 LYS CG C 15.538 0.410 -10.741 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30342_6aza 1 . 16 . 4028 . 1 1 7 LYS H H 14.365 3.257 -11.441 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30342_6aza 1 . 16 . 4029 . 1 1 7 LYS HA H 15.456 2.363 -8.968 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30342_6aza 1 . 16 . 4030 . 1 1 7 LYS HB2 H 16.255 2.073 -11.848 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30342_6aza 1 . 16 . 4031 . 1 1 7 LYS HB3 H 17.332 1.532 -10.568 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30342_6aza 1 . 16 . 4032 . 1 1 7 LYS HD2 H 16.163 0.314 -8.706 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30342_6aza 1 . 16 . 4033 . 1 1 7 LYS HD3 H 15.083 -0.991 -9.200 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30342_6aza 1 . 16 . 4034 . 1 1 7 LYS HE2 H 16.925 -1.881 -10.623 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30342_6aza 1 . 16 . 4035 . 1 1 7 LYS HE3 H 17.986 -0.650 -9.942 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30342_6aza 1 . 16 . 4036 . 1 1 7 LYS HG2 H 14.480 0.621 -10.709 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30342_6aza 1 . 16 . 4037 . 1 1 7 LYS HG3 H 15.762 -0.184 -11.615 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30342_6aza 1 . 16 . 4038 . 1 1 7 LYS HZ1 H 17.867 -1.618 -7.834 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 16 . 4039 . 1 1 7 LYS HZ2 H 18.046 -2.932 -8.884 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 16 . 4040 . 1 1 7 LYS HZ3 H 16.526 -2.570 -8.232 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 16 . 4041 . 1 1 7 LYS N N 14.572 3.429 -10.498 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30342_6aza 1 . 16 . 4042 . 1 1 7 LYS NZ N 17.410 -2.160 -8.594 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30342_6aza 1 . 16 . 4043 . 1 1 7 LYS O O 17.377 4.453 -10.556 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30342_6aza 1 . 16 . 4044 . 1 1 8 GLY C C 17.569 6.393 -7.674 . . . 1.0 . . . . . . . . . . . . A . 8 GLY C . . . . . . . . . c30342_6aza 1 . 16 . 4045 . 1 1 8 GLY CA C 18.154 5.029 -7.983 . . . 1.0 . . . . . . . . . . . . A . 8 GLY CA . . . . . . . . . c30342_6aza 1 . 16 . 4046 . 1 1 8 GLY H H 16.671 3.552 -7.658 . . . 1.0 . . . . . . . . . . . . A . 8 GLY H . . . . . . . . . c30342_6aza 1 . 16 . 4047 . 1 1 8 GLY HA2 H 18.678 4.667 -7.110 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA2 . . . . . . . . . c30342_6aza 1 . 16 . 4048 . 1 1 8 GLY HA3 H 18.856 5.126 -8.797 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA3 . . . . . . . . . c30342_6aza 1 . 16 . 4049 . 1 1 8 GLY N N 17.139 4.060 -8.354 . . . 1.0 . . . . . . . . . . . . A . 8 GLY N . . . . . . . . . c30342_6aza 1 . 16 . 4050 . 1 1 8 GLY O O 18.143 7.161 -6.902 . . . 1.0 . . . . . . . . . . . . A . 8 GLY O . . . . . . . . . c30342_6aza 1 . 16 . 4051 . 1 1 9 ARG C C 14.415 7.786 -7.385 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c30342_6aza 1 . 16 . 4052 . 1 1 9 ARG CA C 15.765 7.976 -8.070 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c30342_6aza 1 . 16 . 4053 . 1 1 9 ARG CB C 15.576 8.702 -9.403 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c30342_6aza 1 . 16 . 4054 . 1 1 9 ARG CD C 16.736 9.661 -11.415 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c30342_6aza 1 . 16 . 4055 . 1 1 9 ARG CG C 16.845 9.350 -9.930 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c30342_6aza 1 . 16 . 4056 . 1 1 9 ARG CZ C 19.029 10.320 -12.007 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c30342_6aza 1 . 16 . 4057 . 1 1 9 ARG H H 16.018 6.041 -8.885 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c30342_6aza 1 . 16 . 4058 . 1 1 9 ARG HA H 16.398 8.575 -7.432 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c30342_6aza 1 . 16 . 4059 . 1 1 9 ARG HB2 H 15.228 7.994 -10.139 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c30342_6aza 1 . 16 . 4060 . 1 1 9 ARG HB3 H 14.829 9.473 -9.276 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c30342_6aza 1 . 16 . 4061 . 1 1 9 ARG HD2 H 16.865 8.743 -11.971 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c30342_6aza 1 . 16 . 4062 . 1 1 9 ARG HD3 H 15.756 10.067 -11.613 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c30342_6aza 1 . 16 . 4063 . 1 1 9 ARG HE H 17.452 11.539 -12.028 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c30342_6aza 1 . 16 . 4064 . 1 1 9 ARG HG2 H 17.018 10.271 -9.393 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c30342_6aza 1 . 16 . 4065 . 1 1 9 ARG HG3 H 17.673 8.677 -9.771 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c30342_6aza 1 . 16 . 4066 . 1 1 9 ARG HH11 H 18.814 8.384 -11.473 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c30342_6aza 1 . 16 . 4067 . 1 1 9 ARG HH12 H 20.425 8.861 -11.894 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c30342_6aza 1 . 16 . 4068 . 1 1 9 ARG HH21 H 19.569 12.181 -12.585 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c30342_6aza 1 . 16 . 4069 . 1 1 9 ARG HH22 H 20.854 11.022 -12.525 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c30342_6aza 1 . 16 . 4070 . 1 1 9 ARG N N 16.426 6.695 -8.281 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c30342_6aza 1 . 16 . 4071 . 1 1 9 ARG NE N 17.745 10.622 -11.848 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c30342_6aza 1 . 16 . 4072 . 1 1 9 ARG NH1 N 19.458 9.087 -11.771 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c30342_6aza 1 . 16 . 4073 . 1 1 9 ARG NH2 N 19.888 11.250 -12.405 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c30342_6aza 1 . 16 . 4074 . 1 1 9 ARG O O 13.487 7.223 -7.965 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c30342_6aza 1 . 16 . 4075 . 1 1 10 CYS C C 12.876 9.358 -4.484 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30342_6aza 1 . 16 . 4076 . 1 1 10 CYS CA C 13.079 8.140 -5.381 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30342_6aza 1 . 16 . 4077 . 1 1 10 CYS CB C 13.100 6.867 -4.533 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30342_6aza 1 . 16 . 4078 . 1 1 10 CYS H H 15.090 8.698 -5.737 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30342_6aza 1 . 16 . 4079 . 1 1 10 CYS HA H 12.260 8.083 -6.080 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30342_6aza 1 . 16 . 4080 . 1 1 10 CYS HB2 H 13.951 6.900 -3.869 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30342_6aza 1 . 16 . 4081 . 1 1 10 CYS HB3 H 12.194 6.817 -3.947 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30342_6aza 1 . 16 . 4082 . 1 1 10 CYS N N 14.314 8.259 -6.146 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30342_6aza 1 . 16 . 4083 . 1 1 10 CYS O O 13.835 10.037 -4.114 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30342_6aza 1 . 16 . 4084 . 1 1 10 CYS SG S 13.218 5.329 -5.502 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30342_6aza 1 . 16 . 4085 . 1 1 11 ARG C C 10.029 10.488 -2.476 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . c30342_6aza 1 . 16 . 4086 . 1 1 11 ARG CA C 11.291 10.764 -3.287 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . c30342_6aza 1 . 16 . 4087 . 1 1 11 ARG CB C 11.102 12.025 -4.132 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . c30342_6aza 1 . 16 . 4088 . 1 1 11 ARG CD C 12.093 14.217 -4.861 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . c30342_6aza 1 . 16 . 4089 . 1 1 11 ARG CG C 12.382 12.818 -4.337 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . c30342_6aza 1 . 16 . 4090 . 1 1 11 ARG CZ C 13.913 15.587 -3.936 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . c30342_6aza 1 . 16 . 4091 . 1 1 11 ARG H H 10.900 9.050 -4.466 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . c30342_6aza 1 . 16 . 4092 . 1 1 11 ARG HA H 12.115 10.918 -2.605 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . c30342_6aza 1 . 16 . 4093 . 1 1 11 ARG HB2 H 10.722 11.740 -5.103 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . c30342_6aza 1 . 16 . 4094 . 1 1 11 ARG HB3 H 10.381 12.665 -3.646 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . c30342_6aza 1 . 16 . 4095 . 1 1 11 ARG HD2 H 11.636 14.134 -5.836 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . c30342_6aza 1 . 16 . 4096 . 1 1 11 ARG HD3 H 11.410 14.707 -4.183 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . c30342_6aza 1 . 16 . 4097 . 1 1 11 ARG HE H 13.687 15.145 -5.869 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . c30342_6aza 1 . 16 . 4098 . 1 1 11 ARG HG2 H 12.900 12.900 -3.392 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . c30342_6aza 1 . 16 . 4099 . 1 1 11 ARG HG3 H 13.006 12.300 -5.048 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . c30342_6aza 1 . 16 . 4100 . 1 1 11 ARG HH11 H 12.592 14.896 -2.573 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . c30342_6aza 1 . 16 . 4101 . 1 1 11 ARG HH12 H 13.881 15.863 -1.934 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . c30342_6aza 1 . 16 . 4102 . 1 1 11 ARG HH21 H 15.388 16.419 -5.039 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . c30342_6aza 1 . 16 . 4103 . 1 1 11 ARG HH22 H 15.470 16.729 -3.338 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . c30342_6aza 1 . 16 . 4104 . 1 1 11 ARG N N 11.621 9.628 -4.139 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . c30342_6aza 1 . 16 . 4105 . 1 1 11 ARG NE N 13.307 15.022 -4.974 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . c30342_6aza 1 . 16 . 4106 . 1 1 11 ARG NH1 N 13.421 15.436 -2.714 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . c30342_6aza 1 . 16 . 4107 . 1 1 11 ARG NH2 N 15.014 16.304 -4.120 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . c30342_6aza 1 . 16 . 4108 . 1 1 11 ARG O O 9.228 9.613 -2.808 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . c30342_6aza 1 . 16 . 4109 . 1 1 12 PRO C C 7.389 11.572 -1.175 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . c30342_6aza 1 . 16 . 4110 . 1 1 12 PRO CA C 8.681 11.106 -0.509 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . c30342_6aza 1 . 16 . 4111 . 1 1 12 PRO CB C 9.023 12.005 0.682 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . c30342_6aza 1 . 16 . 4112 . 1 1 12 PRO CD C 10.757 12.313 -0.934 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . c30342_6aza 1 . 16 . 4113 . 1 1 12 PRO CG C 9.967 13.018 0.133 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . c30342_6aza 1 . 16 . 4114 . 1 1 12 PRO HA H 8.562 10.087 -0.171 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . c30342_6aza 1 . 16 . 4115 . 1 1 12 PRO HB2 H 8.121 12.467 1.058 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . c30342_6aza 1 . 16 . 4116 . 1 1 12 PRO HB3 H 9.483 11.417 1.460 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . c30342_6aza 1 . 16 . 4117 . 1 1 12 PRO HD2 H 10.992 12.990 -1.740 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . c30342_6aza 1 . 16 . 4118 . 1 1 12 PRO HD3 H 11.661 11.891 -0.518 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . c30342_6aza 1 . 16 . 4119 . 1 1 12 PRO HG2 H 9.414 13.843 -0.293 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . c30342_6aza 1 . 16 . 4120 . 1 1 12 PRO HG3 H 10.623 13.369 0.916 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . c30342_6aza 1 . 16 . 4121 . 1 1 12 PRO N N 9.843 11.250 -1.389 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . c30342_6aza 1 . 16 . 4122 . 1 1 12 PRO O O 7.381 12.552 -1.920 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . c30342_6aza 1 . 16 . 4123 . 1 1 13 LYS C C 4.327 12.312 -0.664 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c30342_6aza 1 . 16 . 4124 . 1 1 13 LYS CA C 5.001 11.206 -1.469 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c30342_6aza 1 . 16 . 4125 . 1 1 13 LYS CB C 4.099 9.971 -1.513 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c30342_6aza 1 . 16 . 4126 . 1 1 13 LYS CD C 3.368 9.345 -3.833 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c30342_6aza 1 . 16 . 4127 . 1 1 13 LYS CE C 3.991 10.201 -4.927 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c30342_6aza 1 . 16 . 4128 . 1 1 13 LYS CG C 4.354 9.072 -2.711 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c30342_6aza 1 . 16 . 4129 . 1 1 13 LYS H H 6.369 10.093 -0.298 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c30342_6aza 1 . 16 . 4130 . 1 1 13 LYS HA H 5.163 11.558 -2.477 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c30342_6aza 1 . 16 . 4131 . 1 1 13 LYS HB2 H 4.258 9.391 -0.615 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c30342_6aza 1 . 16 . 4132 . 1 1 13 LYS HB3 H 3.068 10.292 -1.544 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c30342_6aza 1 . 16 . 4133 . 1 1 13 LYS HD2 H 3.053 8.406 -4.263 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c30342_6aza 1 . 16 . 4134 . 1 1 13 LYS HD3 H 2.510 9.864 -3.428 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c30342_6aza 1 . 16 . 4135 . 1 1 13 LYS HE2 H 4.879 10.669 -4.537 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c30342_6aza 1 . 16 . 4136 . 1 1 13 LYS HE3 H 4.254 9.561 -5.757 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c30342_6aza 1 . 16 . 4137 . 1 1 13 LYS HG2 H 5.355 9.249 -3.075 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c30342_6aza 1 . 16 . 4138 . 1 1 13 LYS HG3 H 4.260 8.040 -2.403 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c30342_6aza 1 . 16 . 4139 . 1 1 13 LYS HZ1 H 3.424 12.196 -5.157 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 16 . 4140 . 1 1 13 LYS HZ2 H 2.123 11.134 -4.963 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 16 . 4141 . 1 1 13 LYS HZ3 H 2.949 11.198 -6.438 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 16 . 4142 . 1 1 13 LYS N N 6.300 10.864 -0.899 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c30342_6aza 1 . 16 . 4143 . 1 1 13 LYS NZ N 3.056 11.256 -5.405 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c30342_6aza 1 . 16 . 4144 . 1 1 13 LYS O O 4.629 12.531 0.509 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c30342_6aza 1 . 16 . 4145 . 1 1 14 PRO C C 1.682 13.619 0.397 . . . 1.0 . . . . . . . . . . . . A . 14 PRO C . . . . . . . . . c30342_6aza 1 . 16 . 4146 . 1 1 14 PRO CA C 2.653 14.120 -0.667 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CA . . . . . . . . . c30342_6aza 1 . 16 . 4147 . 1 1 14 PRO CB C 1.888 14.758 -1.829 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CB . . . . . . . . . c30342_6aza 1 . 16 . 4148 . 1 1 14 PRO CD C 2.978 12.819 -2.704 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CD . . . . . . . . . c30342_6aza 1 . 16 . 4149 . 1 1 14 PRO CG C 1.742 13.666 -2.832 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CG . . . . . . . . . c30342_6aza 1 . 16 . 4150 . 1 1 14 PRO HA H 3.320 14.846 -0.232 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HA . . . . . . . . . c30342_6aza 1 . 16 . 4151 . 1 1 14 PRO HB2 H 0.925 15.107 -1.482 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB2 . . . . . . . . . c30342_6aza 1 . 16 . 4152 . 1 1 14 PRO HB3 H 2.456 15.586 -2.226 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB3 . . . . . . . . . c30342_6aza 1 . 16 . 4153 . 1 1 14 PRO HD2 H 2.744 11.780 -2.888 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD2 . . . . . . . . . c30342_6aza 1 . 16 . 4154 . 1 1 14 PRO HD3 H 3.743 13.162 -3.385 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD3 . . . . . . . . . c30342_6aza 1 . 16 . 4155 . 1 1 14 PRO HG2 H 0.863 13.081 -2.614 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG2 . . . . . . . . . c30342_6aza 1 . 16 . 4156 . 1 1 14 PRO HG3 H 1.678 14.086 -3.826 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG3 . . . . . . . . . c30342_6aza 1 . 16 . 4157 . 1 1 14 PRO N N 3.390 13.026 -1.305 . . . 1.0 . . . . . . . . . . . . A . 14 PRO N . . . . . . . . . c30342_6aza 1 . 16 . 4158 . 1 1 14 PRO O O 1.538 14.232 1.456 . . . 1.0 . . . . . . . . . . . . A . 14 PRO O . . . . . . . . . c30342_6aza 1 . 16 . 4159 . 1 1 15 ASN C C 0.640 10.676 1.711 . . . 1.0 . . . . . . . . . . . . A . 15 ASN C . . . . . . . . . c30342_6aza 1 . 16 . 4160 . 1 1 15 ASN CA C 0.062 11.922 1.045 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CA . . . . . . . . . c30342_6aza 1 . 16 . 4161 . 1 1 15 ASN CB C -1.239 11.570 0.322 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CB . . . . . . . . . c30342_6aza 1 . 16 . 4162 . 1 1 15 ASN CG C -2.360 11.225 1.283 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CG . . . . . . . . . c30342_6aza 1 . 16 . 4163 . 1 1 15 ASN H H 1.177 12.062 -0.748 . . . 1.0 . . . . . . . . . . . . A . 15 ASN H . . . . . . . . . c30342_6aza 1 . 16 . 4164 . 1 1 15 ASN HA H -0.147 12.658 1.807 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HA . . . . . . . . . c30342_6aza 1 . 16 . 4165 . 1 1 15 ASN HB2 H -1.551 12.415 -0.276 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB2 . . . . . . . . . c30342_6aza 1 . 16 . 4166 . 1 1 15 ASN HB3 H -1.068 10.722 -0.322 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB3 . . . . . . . . . c30342_6aza 1 . 16 . 4167 . 1 1 15 ASN HD21 H -2.771 9.576 0.250 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD21 . . . . . . . . . c30342_6aza 1 . 16 . 4168 . 1 1 15 ASN HD22 H -3.761 9.860 1.636 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD22 . . . . . . . . . c30342_6aza 1 . 16 . 4169 . 1 1 15 ASN N N 1.019 12.504 0.111 . . . 1.0 . . . . . . . . . . . . A . 15 ASN N . . . . . . . . . c30342_6aza 1 . 16 . 4170 . 1 1 15 ASN ND2 N -3.032 10.108 1.032 . . . 1.0 . . . . . . . . . . . . A . 15 ASN ND2 . . . . . . . . . c30342_6aza 1 . 16 . 4171 . 1 1 15 ASN O O 0.281 10.339 2.840 . . . 1.0 . . . . . . . . . . . . A . 15 ASN O . . . . . . . . . c30342_6aza 1 . 16 . 4172 . 1 1 15 ASN OD1 O -2.619 11.954 2.241 . . . 1.0 . . . . . . . . . . . . A . 15 ASN OD1 . . . . . . . . . c30342_6aza 1 . 16 . 4173 . 1 1 16 CYS C C 3.559 9.091 2.068 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c30342_6aza 1 . 16 . 4174 . 1 1 16 CYS CA C 2.166 8.789 1.527 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c30342_6aza 1 . 16 . 4175 . 1 1 16 CYS CB C 2.251 7.722 0.433 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c30342_6aza 1 . 16 . 4176 . 1 1 16 CYS H H 1.784 10.317 0.111 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c30342_6aza 1 . 16 . 4177 . 1 1 16 CYS HA H 1.553 8.417 2.333 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c30342_6aza 1 . 16 . 4178 . 1 1 16 CYS HB2 H 2.441 8.203 -0.514 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c30342_6aza 1 . 16 . 4179 . 1 1 16 CYS HB3 H 3.067 7.051 0.660 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c30342_6aza 1 . 16 . 4180 . 1 1 16 CYS N N 1.537 9.997 1.006 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c30342_6aza 1 . 16 . 4181 . 1 1 16 CYS O O 4.553 8.531 1.605 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c30342_6aza 1 . 16 . 4182 . 1 1 16 CYS SG S 0.742 6.721 0.252 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c30342_6aza 1 . 16 . 4183 . 1 1 17 GLY C C 4.745 11.173 4.902 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c30342_6aza 1 . 16 . 4184 . 1 1 17 GLY CA C 4.902 10.345 3.642 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c30342_6aza 1 . 16 . 4185 . 1 1 17 GLY H H 2.800 10.399 3.381 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c30342_6aza 1 . 16 . 4186 . 1 1 17 GLY HA2 H 5.444 9.443 3.882 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c30342_6aza 1 . 16 . 4187 . 1 1 17 GLY HA3 H 5.470 10.914 2.920 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c30342_6aza 1 . 16 . 4188 . 1 1 17 GLY N N 3.626 9.984 3.053 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c30342_6aza 1 . 16 . 4189 . 1 1 17 GLY O O 3.771 11.018 5.638 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c30342_6aza 1 . 16 . 4190 . 1 1 18 NH2 HN1 H 6.458 12.136 4.526 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . c30342_6aza 1 . 16 . 4191 . 1 1 18 NH2 HN2 H 5.682 12.643 5.960 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . c30342_6aza 1 . 16 . 4192 . 1 1 18 NH2 N N 5.706 12.057 5.151 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . c30342_6aza 1 . 17 . 4193 . 1 1 1 ARG C C 2.558 2.873 0.051 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30342_6aza 1 . 17 . 4194 . 1 1 1 ARG CA C 2.772 1.854 1.167 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30342_6aza 1 . 17 . 4195 . 1 1 1 ARG CB C 2.605 0.437 0.618 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30342_6aza 1 . 17 . 4196 . 1 1 1 ARG CD C 2.948 -2.020 1.019 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30342_6aza 1 . 17 . 4197 . 1 1 1 ARG CG C 3.389 -0.612 1.389 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30342_6aza 1 . 17 . 4198 . 1 1 1 ARG CZ C 2.621 -4.166 2.172 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30342_6aza 1 . 17 . 4199 . 1 1 1 ARG H1 H 0.949 2.441 2.069 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30342_6aza 1 . 17 . 4200 . 1 1 1 ARG HA H 3.774 1.965 1.553 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30342_6aza 1 . 17 . 4201 . 1 1 1 ARG HB2 H 1.558 0.171 0.652 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30342_6aza 1 . 17 . 4202 . 1 1 1 ARG HB3 H 2.938 0.422 -0.410 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30342_6aza 1 . 17 . 4203 . 1 1 1 ARG HD2 H 1.891 -2.008 0.802 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30342_6aza 1 . 17 . 4204 . 1 1 1 ARG HD3 H 3.492 -2.334 0.140 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30342_6aza 1 . 17 . 4205 . 1 1 1 ARG HE H 3.829 -2.709 2.799 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30342_6aza 1 . 17 . 4206 . 1 1 1 ARG HG2 H 4.438 -0.504 1.162 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30342_6aza 1 . 17 . 4207 . 1 1 1 ARG HG3 H 3.230 -0.460 2.446 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30342_6aza 1 . 17 . 4208 . 1 1 1 ARG HH11 H 1.553 -3.943 0.473 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30342_6aza 1 . 17 . 4209 . 1 1 1 ARG HH12 H 1.331 -5.452 1.294 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30342_6aza 1 . 17 . 4210 . 1 1 1 ARG HH21 H 3.547 -4.691 3.890 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30342_6aza 1 . 17 . 4211 . 1 1 1 ARG HH22 H 2.466 -5.876 3.240 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30342_6aza 1 . 17 . 4212 . 1 1 1 ARG N N 1.840 2.084 2.266 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30342_6aza 1 . 17 . 4213 . 1 1 1 ARG NE N 3.199 -2.973 2.097 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30342_6aza 1 . 17 . 4214 . 1 1 1 ARG NH1 N 1.764 -4.552 1.237 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30342_6aza 1 . 17 . 4215 . 1 1 1 ARG NH2 N 2.901 -4.978 3.184 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30342_6aza 1 . 17 . 4216 . 1 1 1 ARG O O 1.434 3.091 -0.399 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30342_6aza 1 . 17 . 4217 . 1 1 2 CYS C C 3.731 3.837 -2.822 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c30342_6aza 1 . 17 . 4218 . 1 1 2 CYS CA C 3.580 4.491 -1.452 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c30342_6aza 1 . 17 . 4219 . 1 1 2 CYS CB C 4.670 5.549 -1.257 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c30342_6aza 1 . 17 . 4220 . 1 1 2 CYS H H 4.516 3.278 0.007 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c30342_6aza 1 . 17 . 4221 . 1 1 2 CYS HA H 2.613 4.968 -1.399 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c30342_6aza 1 . 17 . 4222 . 1 1 2 CYS HB2 H 5.637 5.086 -1.388 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c30342_6aza 1 . 17 . 4223 . 1 1 2 CYS HB3 H 4.543 6.324 -1.999 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c30342_6aza 1 . 17 . 4224 . 1 1 2 CYS N N 3.646 3.495 -0.391 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c30342_6aza 1 . 17 . 4225 . 1 1 2 CYS O O 3.849 2.616 -2.931 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c30342_6aza 1 . 17 . 4226 . 1 1 2 CYS SG S 4.652 6.340 0.383 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c30342_6aza 1 . 17 . 4227 . 1 1 3 LYS C C 5.328 3.908 -5.574 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . c30342_6aza 1 . 17 . 4228 . 1 1 3 LYS CA C 3.863 4.160 -5.233 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . c30342_6aza 1 . 17 . 4229 . 1 1 3 LYS CB C 3.262 5.159 -6.224 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . c30342_6aza 1 . 17 . 4230 . 1 1 3 LYS CD C 1.223 5.660 -7.603 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . c30342_6aza 1 . 17 . 4231 . 1 1 3 LYS CE C 1.044 7.170 -7.554 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . c30342_6aza 1 . 17 . 4232 . 1 1 3 LYS CG C 1.745 5.118 -6.283 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . c30342_6aza 1 . 17 . 4233 . 1 1 3 LYS H H 3.628 5.621 -3.718 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . c30342_6aza 1 . 17 . 4234 . 1 1 3 LYS HA H 3.323 3.227 -5.301 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . c30342_6aza 1 . 17 . 4235 . 1 1 3 LYS HB2 H 3.563 6.156 -5.940 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . c30342_6aza 1 . 17 . 4236 . 1 1 3 LYS HB3 H 3.645 4.943 -7.210 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . c30342_6aza 1 . 17 . 4237 . 1 1 3 LYS HD2 H 1.927 5.417 -8.385 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . c30342_6aza 1 . 17 . 4238 . 1 1 3 LYS HD3 H 0.268 5.199 -7.820 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . c30342_6aza 1 . 17 . 4239 . 1 1 3 LYS HE2 H 0.207 7.399 -6.912 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . c30342_6aza 1 . 17 . 4240 . 1 1 3 LYS HE3 H 1.941 7.612 -7.149 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . c30342_6aza 1 . 17 . 4241 . 1 1 3 LYS HG2 H 1.416 4.095 -6.171 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . c30342_6aza 1 . 17 . 4242 . 1 1 3 LYS HG3 H 1.347 5.717 -5.476 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . c30342_6aza 1 . 17 . 4243 . 1 1 3 LYS HZ1 H 1.609 7.578 -9.523 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 17 . 4244 . 1 1 3 LYS HZ2 H 0.623 8.765 -8.834 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 17 . 4245 . 1 1 3 LYS HZ3 H -0.048 7.295 -9.331 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 17 . 4246 . 1 1 3 LYS N N 3.726 4.657 -3.868 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . c30342_6aza 1 . 17 . 4247 . 1 1 3 LYS NZ N 0.789 7.742 -8.905 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . c30342_6aza 1 . 17 . 4248 . 1 1 3 LYS O O 6.230 4.374 -4.875 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . c30342_6aza 1 . 17 . 4249 . 1 1 4 THR C C 7.652 4.110 -7.544 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30342_6aza 1 . 17 . 4250 . 1 1 4 THR CA C 6.916 2.855 -7.089 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30342_6aza 1 . 17 . 4251 . 1 1 4 THR CB C 6.914 1.830 -8.237 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30342_6aza 1 . 17 . 4252 . 1 1 4 THR CG2 C 6.029 2.300 -9.382 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30342_6aza 1 . 17 . 4253 . 1 1 4 THR H H 4.802 2.826 -7.169 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30342_6aza 1 . 17 . 4254 . 1 1 4 THR HA H 7.443 2.424 -6.250 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30342_6aza 1 . 17 . 4255 . 1 1 4 THR HB H 6.526 0.892 -7.865 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30342_6aza 1 . 17 . 4256 . 1 1 4 THR HG1 H 8.450 2.275 -9.392 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30342_6aza 1 . 17 . 4257 . 1 1 4 THR HG21 H 5.575 3.244 -9.120 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30342_6aza 1 . 17 . 4258 . 1 1 4 THR HG22 H 5.257 1.568 -9.565 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30342_6aza 1 . 17 . 4259 . 1 1 4 THR HG23 H 6.626 2.423 -10.273 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30342_6aza 1 . 17 . 4260 . 1 1 4 THR N N 5.561 3.169 -6.655 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30342_6aza 1 . 17 . 4261 . 1 1 4 THR O O 7.031 5.099 -7.933 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30342_6aza 1 . 17 . 4262 . 1 1 4 THR OG1 O 8.249 1.625 -8.714 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30342_6aza 1 . 17 . 4263 . 1 1 5 CYS C C 10.768 4.797 -9.010 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30342_6aza 1 . 17 . 4264 . 1 1 5 CYS CA C 9.800 5.198 -7.899 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30342_6aza 1 . 17 . 4265 . 1 1 5 CYS CB C 10.579 5.746 -6.703 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30342_6aza 1 . 17 . 4266 . 1 1 5 CYS H H 9.417 3.247 -7.173 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30342_6aza 1 . 17 . 4267 . 1 1 5 CYS HA H 9.142 5.968 -8.274 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30342_6aza 1 . 17 . 4268 . 1 1 5 CYS HB2 H 11.249 6.522 -7.044 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30342_6aza 1 . 17 . 4269 . 1 1 5 CYS HB3 H 9.883 6.167 -5.992 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30342_6aza 1 . 17 . 4270 . 1 1 5 CYS N N 8.978 4.065 -7.493 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30342_6aza 1 . 17 . 4271 . 1 1 5 CYS O O 10.910 3.616 -9.327 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30342_6aza 1 . 17 . 4272 . 1 1 5 CYS SG S 11.577 4.498 -5.830 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30342_6aza 1 . 17 . 4273 . 1 1 6 SER C C 13.638 4.859 -10.142 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . c30342_6aza 1 . 17 . 4274 . 1 1 6 SER CA C 12.381 5.542 -10.674 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . c30342_6aza 1 . 17 . 4275 . 1 1 6 SER CB C 12.753 6.854 -11.366 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . c30342_6aza 1 . 17 . 4276 . 1 1 6 SER H H 11.271 6.710 -9.301 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . c30342_6aza 1 . 17 . 4277 . 1 1 6 SER HA H 11.907 4.888 -11.391 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . c30342_6aza 1 . 17 . 4278 . 1 1 6 SER HB2 H 13.408 7.423 -10.724 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . c30342_6aza 1 . 17 . 4279 . 1 1 6 SER HB3 H 13.259 6.636 -12.295 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . c30342_6aza 1 . 17 . 4280 . 1 1 6 SER HG H 11.015 7.135 -12.224 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . c30342_6aza 1 . 17 . 4281 . 1 1 6 SER N N 11.430 5.789 -9.597 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . c30342_6aza 1 . 17 . 4282 . 1 1 6 SER O O 13.950 4.948 -8.954 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . c30342_6aza 1 . 17 . 4283 . 1 1 6 SER OG O 11.600 7.629 -11.644 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . c30342_6aza 1 . 17 . 4284 . 1 1 7 LYS C C 16.660 4.472 -10.230 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30342_6aza 1 . 17 . 4285 . 1 1 7 LYS CA C 15.579 3.482 -10.653 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30342_6aza 1 . 17 . 4286 . 1 1 7 LYS CB C 16.083 2.628 -11.818 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30342_6aza 1 . 17 . 4287 . 1 1 7 LYS CD C 16.108 2.553 -14.328 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30342_6aza 1 . 17 . 4288 . 1 1 7 LYS CE C 14.636 2.454 -14.700 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30342_6aza 1 . 17 . 4289 . 1 1 7 LYS CG C 16.314 3.416 -13.096 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30342_6aza 1 . 17 . 4290 . 1 1 7 LYS H H 14.054 4.146 -11.962 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30342_6aza 1 . 17 . 4291 . 1 1 7 LYS HA H 15.351 2.838 -9.818 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30342_6aza 1 . 17 . 4292 . 1 1 7 LYS HB2 H 17.017 2.165 -11.532 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30342_6aza 1 . 17 . 4293 . 1 1 7 LYS HB3 H 15.357 1.856 -12.023 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30342_6aza 1 . 17 . 4294 . 1 1 7 LYS HD2 H 16.648 2.987 -15.157 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30342_6aza 1 . 17 . 4295 . 1 1 7 LYS HD3 H 16.488 1.561 -14.131 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30342_6aza 1 . 17 . 4296 . 1 1 7 LYS HE2 H 14.059 2.304 -13.800 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30342_6aza 1 . 17 . 4297 . 1 1 7 LYS HE3 H 14.335 3.378 -15.170 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30342_6aza 1 . 17 . 4298 . 1 1 7 LYS HG2 H 15.619 4.243 -13.128 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30342_6aza 1 . 17 . 4299 . 1 1 7 LYS HG3 H 17.327 3.794 -13.097 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30342_6aza 1 . 17 . 4300 . 1 1 7 LYS HZ1 H 13.573 1.556 -16.258 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 17 . 4301 . 1 1 7 LYS HZ2 H 14.147 0.463 -15.102 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 17 . 4302 . 1 1 7 LYS HZ3 H 15.215 1.147 -16.223 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 17 . 4303 . 1 1 7 LYS N N 14.355 4.180 -11.030 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30342_6aza 1 . 17 . 4304 . 1 1 7 LYS NZ N 14.375 1.326 -15.636 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30342_6aza 1 . 17 . 4305 . 1 1 7 LYS O O 17.114 5.290 -11.028 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30342_6aza 1 . 17 . 4306 . 1 1 8 GLY C C 17.515 6.516 -7.798 . . . 1.0 . . . . . . . . . . . . A . 8 GLY C . . . . . . . . . c30342_6aza 1 . 17 . 4307 . 1 1 8 GLY CA C 18.096 5.283 -8.460 . . . 1.0 . . . . . . . . . . . . A . 8 GLY CA . . . . . . . . . c30342_6aza 1 . 17 . 4308 . 1 1 8 GLY H H 16.672 3.717 -8.375 . . . 1.0 . . . . . . . . . . . . A . 8 GLY H . . . . . . . . . c30342_6aza 1 . 17 . 4309 . 1 1 8 GLY HA2 H 18.698 4.750 -7.741 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA2 . . . . . . . . . c30342_6aza 1 . 17 . 4310 . 1 1 8 GLY HA3 H 18.725 5.591 -9.281 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA3 . . . . . . . . . c30342_6aza 1 . 17 . 4311 . 1 1 8 GLY N N 17.070 4.389 -8.967 . . . 1.0 . . . . . . . . . . . . A . 8 GLY N . . . . . . . . . c30342_6aza 1 . 17 . 4312 . 1 1 8 GLY O O 18.137 7.107 -6.915 . . . 1.0 . . . . . . . . . . . . A . 8 GLY O . . . . . . . . . c30342_6aza 1 . 17 . 4313 . 1 1 9 ARG C C 14.381 7.686 -6.932 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c30342_6aza 1 . 17 . 4314 . 1 1 9 ARG CA C 15.655 8.082 -7.672 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c30342_6aza 1 . 17 . 4315 . 1 1 9 ARG CB C 15.325 9.079 -8.782 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c30342_6aza 1 . 17 . 4316 . 1 1 9 ARG CD C 16.276 10.480 -10.639 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c30342_6aza 1 . 17 . 4317 . 1 1 9 ARG CG C 16.530 9.866 -9.271 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c30342_6aza 1 . 17 . 4318 . 1 1 9 ARG CZ C 17.588 11.454 -12.478 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c30342_6aza 1 . 17 . 4319 . 1 1 9 ARG H H 15.873 6.396 -8.933 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c30342_6aza 1 . 17 . 4320 . 1 1 9 ARG HA H 16.334 8.546 -6.971 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c30342_6aza 1 . 17 . 4321 . 1 1 9 ARG HB2 H 14.908 8.542 -9.621 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c30342_6aza 1 . 17 . 4322 . 1 1 9 ARG HB3 H 14.592 9.780 -8.412 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c30342_6aza 1 . 17 . 4323 . 1 1 9 ARG HD2 H 15.662 9.803 -11.214 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c30342_6aza 1 . 17 . 4324 . 1 1 9 ARG HD3 H 15.754 11.417 -10.508 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c30342_6aza 1 . 17 . 4325 . 1 1 9 ARG HE H 18.340 10.331 -11.010 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c30342_6aza 1 . 17 . 4326 . 1 1 9 ARG HG2 H 16.743 10.658 -8.568 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c30342_6aza 1 . 17 . 4327 . 1 1 9 ARG HG3 H 17.379 9.203 -9.336 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c30342_6aza 1 . 17 . 4328 . 1 1 9 ARG HH11 H 15.611 11.869 -12.529 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c30342_6aza 1 . 17 . 4329 . 1 1 9 ARG HH12 H 16.546 12.550 -13.820 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c30342_6aza 1 . 17 . 4330 . 1 1 9 ARG HH21 H 19.583 11.221 -12.705 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c30342_6aza 1 . 17 . 4331 . 1 1 9 ARG HH22 H 18.805 12.180 -13.919 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c30342_6aza 1 . 17 . 4332 . 1 1 9 ARG N N 16.319 6.908 -8.227 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c30342_6aza 1 . 17 . 4333 . 1 1 9 ARG NE N 17.518 10.728 -11.367 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c30342_6aza 1 . 17 . 4334 . 1 1 9 ARG NH1 N 16.491 12.003 -12.984 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c30342_6aza 1 . 17 . 4335 . 1 1 9 ARG NH2 N 18.754 11.633 -13.083 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c30342_6aza 1 . 17 . 4336 . 1 1 9 ARG O O 13.433 7.178 -7.533 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c30342_6aza 1 . 17 . 4337 . 1 1 10 CYS C C 12.986 8.645 -3.723 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30342_6aza 1 . 17 . 4338 . 1 1 10 CYS CA C 13.207 7.591 -4.802 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30342_6aza 1 . 17 . 4339 . 1 1 10 CYS CB C 13.390 6.214 -4.156 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30342_6aza 1 . 17 . 4340 . 1 1 10 CYS H H 15.149 8.329 -5.201 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30342_6aza 1 . 17 . 4341 . 1 1 10 CYS HA H 12.340 7.564 -5.444 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30342_6aza 1 . 17 . 4342 . 1 1 10 CYS HB2 H 14.052 5.623 -4.771 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30342_6aza 1 . 17 . 4343 . 1 1 10 CYS HB3 H 13.832 6.341 -3.179 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30342_6aza 1 . 17 . 4344 . 1 1 10 CYS N N 14.364 7.922 -5.624 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30342_6aza 1 . 17 . 4345 . 1 1 10 CYS O O 13.903 8.986 -2.976 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30342_6aza 1 . 17 . 4346 . 1 1 10 CYS SG S 11.842 5.277 -3.950 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30342_6aza 1 . 17 . 4347 . 1 1 11 ARG C C 10.011 9.960 -2.122 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . c30342_6aza 1 . 17 . 4348 . 1 1 11 ARG CA C 11.421 10.177 -2.659 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . c30342_6aza 1 . 17 . 4349 . 1 1 11 ARG CB C 11.536 11.573 -3.274 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . c30342_6aza 1 . 17 . 4350 . 1 1 11 ARG CD C 13.455 12.394 -1.875 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . c30342_6aza 1 . 17 . 4351 . 1 1 11 ARG CG C 12.954 12.121 -3.284 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . c30342_6aza 1 . 17 . 4352 . 1 1 11 ARG CZ C 15.288 13.668 -0.845 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . c30342_6aza 1 . 17 . 4353 . 1 1 11 ARG H H 11.073 8.848 -4.270 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . c30342_6aza 1 . 17 . 4354 . 1 1 11 ARG HA H 12.123 10.096 -1.842 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . c30342_6aza 1 . 17 . 4355 . 1 1 11 ARG HB2 H 11.180 11.535 -4.294 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . c30342_6aza 1 . 17 . 4356 . 1 1 11 ARG HB3 H 10.914 12.254 -2.711 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . c30342_6aza 1 . 17 . 4357 . 1 1 11 ARG HD2 H 12.767 13.066 -1.386 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . c30342_6aza 1 . 17 . 4358 . 1 1 11 ARG HD3 H 13.493 11.460 -1.335 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . c30342_6aza 1 . 17 . 4359 . 1 1 11 ARG HE H 15.330 12.895 -2.683 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . c30342_6aza 1 . 17 . 4360 . 1 1 11 ARG HG2 H 13.605 11.398 -3.754 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . c30342_6aza 1 . 17 . 4361 . 1 1 11 ARG HG3 H 12.969 13.042 -3.848 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . c30342_6aza 1 . 17 . 4362 . 1 1 11 ARG HH11 H 13.656 13.430 0.321 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . c30342_6aza 1 . 17 . 4363 . 1 1 11 ARG HH12 H 14.957 14.327 1.036 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . c30342_6aza 1 . 17 . 4364 . 1 1 11 ARG HH21 H 17.048 14.073 -1.754 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . c30342_6aza 1 . 17 . 4365 . 1 1 11 ARG HH22 H 16.884 14.692 -0.146 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . c30342_6aza 1 . 17 . 4366 . 1 1 11 ARG N N 11.764 9.161 -3.647 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . c30342_6aza 1 . 17 . 4367 . 1 1 11 ARG NE N 14.786 12.997 -1.875 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . c30342_6aza 1 . 17 . 4368 . 1 1 11 ARG NH1 N 14.575 13.821 0.262 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . c30342_6aza 1 . 17 . 4369 . 1 1 11 ARG NH2 N 16.507 14.187 -0.922 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . c30342_6aza 1 . 17 . 4370 . 1 1 11 ARG O O 9.177 9.300 -2.742 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . c30342_6aza 1 . 17 . 4371 . 1 1 12 PRO C C 7.341 11.191 -1.027 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . c30342_6aza 1 . 17 . 4372 . 1 1 12 PRO CA C 8.426 10.411 -0.290 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . c30342_6aza 1 . 17 . 4373 . 1 1 12 PRO CB C 8.664 11.010 1.100 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . c30342_6aza 1 . 17 . 4374 . 1 1 12 PRO CD C 10.680 11.330 -0.142 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . c30342_6aza 1 . 17 . 4375 . 1 1 12 PRO CG C 9.810 11.943 0.920 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . c30342_6aza 1 . 17 . 4376 . 1 1 12 PRO HA H 8.122 9.380 -0.192 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . c30342_6aza 1 . 17 . 4377 . 1 1 12 PRO HB2 H 7.774 11.532 1.426 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . c30342_6aza 1 . 17 . 4378 . 1 1 12 PRO HB3 H 8.901 10.221 1.799 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . c30342_6aza 1 . 17 . 4379 . 1 1 12 PRO HD2 H 11.137 12.099 -0.746 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . c30342_6aza 1 . 17 . 4380 . 1 1 12 PRO HD3 H 11.435 10.701 0.306 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . c30342_6aza 1 . 17 . 4381 . 1 1 12 PRO HG2 H 9.450 12.909 0.597 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . c30342_6aza 1 . 17 . 4382 . 1 1 12 PRO HG3 H 10.357 12.034 1.846 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . c30342_6aza 1 . 17 . 4383 . 1 1 12 PRO N N 9.735 10.529 -0.937 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . c30342_6aza 1 . 17 . 4384 . 1 1 12 PRO O O 7.589 12.279 -1.546 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . c30342_6aza 1 . 17 . 4385 . 1 1 13 LYS C C 4.357 12.304 -0.831 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c30342_6aza 1 . 17 . 4386 . 1 1 13 LYS CA C 5.015 11.271 -1.740 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c30342_6aza 1 . 17 . 4387 . 1 1 13 LYS CB C 3.985 10.224 -2.169 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c30342_6aza 1 . 17 . 4388 . 1 1 13 LYS CD C 3.719 10.129 -4.665 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c30342_6aza 1 . 17 . 4389 . 1 1 13 LYS CE C 4.691 11.043 -5.393 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c30342_6aza 1 . 17 . 4390 . 1 1 13 LYS CG C 4.361 9.490 -3.445 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c30342_6aza 1 . 17 . 4391 . 1 1 13 LYS H H 6.004 9.759 -0.633 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c30342_6aza 1 . 17 . 4392 . 1 1 13 LYS HA H 5.397 11.771 -2.617 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c30342_6aza 1 . 17 . 4393 . 1 1 13 LYS HB2 H 3.878 9.496 -1.378 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c30342_6aza 1 . 17 . 4394 . 1 1 13 LYS HB3 H 3.035 10.714 -2.327 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c30342_6aza 1 . 17 . 4395 . 1 1 13 LYS HD2 H 3.399 9.350 -5.342 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c30342_6aza 1 . 17 . 4396 . 1 1 13 LYS HD3 H 2.861 10.706 -4.348 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c30342_6aza 1 . 17 . 4397 . 1 1 13 LYS HE2 H 5.394 11.441 -4.677 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c30342_6aza 1 . 17 . 4398 . 1 1 13 LYS HE3 H 5.221 10.465 -6.135 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c30342_6aza 1 . 17 . 4399 . 1 1 13 LYS HG2 H 5.434 9.515 -3.562 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c30342_6aza 1 . 17 . 4400 . 1 1 13 LYS HG3 H 4.027 8.463 -3.370 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c30342_6aza 1 . 17 . 4401 . 1 1 13 LYS HZ1 H 3.952 12.007 -7.092 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 17 . 4402 . 1 1 13 LYS HZ2 H 4.502 13.063 -5.890 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 17 . 4403 . 1 1 13 LYS HZ3 H 3.024 12.262 -5.700 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 17 . 4404 . 1 1 13 LYS N N 6.139 10.628 -1.067 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c30342_6aza 1 . 17 . 4405 . 1 1 13 LYS NZ N 3.992 12.173 -6.066 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c30342_6aza 1 . 17 . 4406 . 1 1 13 LYS O O 4.474 12.254 0.393 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c30342_6aza 1 . 17 . 4407 . 1 1 14 PRO C C 1.755 13.800 0.078 . . . 1.0 . . . . . . . . . . . . A . 14 PRO C . . . . . . . . . c30342_6aza 1 . 17 . 4408 . 1 1 14 PRO CA C 2.953 14.324 -0.707 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CA . . . . . . . . . c30342_6aza 1 . 17 . 4409 . 1 1 14 PRO CB C 2.491 15.279 -1.811 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CB . . . . . . . . . c30342_6aza 1 . 17 . 4410 . 1 1 14 PRO CD C 3.463 13.384 -2.898 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CD . . . . . . . . . c30342_6aza 1 . 17 . 4411 . 1 1 14 PRO CG C 2.388 14.427 -3.029 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CG . . . . . . . . . c30342_6aza 1 . 17 . 4412 . 1 1 14 PRO HA H 3.622 14.844 -0.036 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HA . . . . . . . . . c30342_6aza 1 . 17 . 4413 . 1 1 14 PRO HB2 H 1.537 15.708 -1.544 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB2 . . . . . . . . . c30342_6aza 1 . 17 . 4414 . 1 1 14 PRO HB3 H 3.222 16.065 -1.941 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB3 . . . . . . . . . c30342_6aza 1 . 17 . 4415 . 1 1 14 PRO HD2 H 3.135 12.448 -3.325 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD2 . . . . . . . . . c30342_6aza 1 . 17 . 4416 . 1 1 14 PRO HD3 H 4.374 13.719 -3.373 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD3 . . . . . . . . . c30342_6aza 1 . 17 . 4417 . 1 1 14 PRO HG2 H 1.416 13.960 -3.066 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG2 . . . . . . . . . c30342_6aza 1 . 17 . 4418 . 1 1 14 PRO HG3 H 2.552 15.027 -3.912 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG3 . . . . . . . . . c30342_6aza 1 . 17 . 4419 . 1 1 14 PRO N N 3.646 13.264 -1.443 . . . 1.0 . . . . . . . . . . . . A . 14 PRO N . . . . . . . . . c30342_6aza 1 . 17 . 4420 . 1 1 14 PRO O O 1.439 14.302 1.155 . . . 1.0 . . . . . . . . . . . . A . 14 PRO O . . . . . . . . . c30342_6aza 1 . 17 . 4421 . 1 1 15 ASN C C 0.354 11.177 1.234 . . . 1.0 . . . . . . . . . . . . A . 15 ASN C . . . . . . . . . c30342_6aza 1 . 17 . 4422 . 1 1 15 ASN CA C -0.071 12.194 0.179 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CA . . . . . . . . . c30342_6aza 1 . 17 . 4423 . 1 1 15 ASN CB C -0.974 11.524 -0.859 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CB . . . . . . . . . c30342_6aza 1 . 17 . 4424 . 1 1 15 ASN CG C -1.919 12.505 -1.524 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CG . . . . . . . . . c30342_6aza 1 . 17 . 4425 . 1 1 15 ASN H H 1.393 12.429 -1.332 . . . 1.0 . . . . . . . . . . . . A . 15 ASN H . . . . . . . . . c30342_6aza 1 . 17 . 4426 . 1 1 15 ASN HA H -0.621 12.987 0.662 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HA . . . . . . . . . c30342_6aza 1 . 17 . 4427 . 1 1 15 ASN HB2 H -0.357 11.072 -1.624 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB2 . . . . . . . . . c30342_6aza 1 . 17 . 4428 . 1 1 15 ASN HB3 H -1.561 10.757 -0.376 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB3 . . . . . . . . . c30342_6aza 1 . 17 . 4429 . 1 1 15 ASN HD21 H -3.470 11.331 -1.109 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD21 . . . . . . . . . c30342_6aza 1 . 17 . 4430 . 1 1 15 ASN HD22 H -3.839 12.792 -1.953 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD22 . . . . . . . . . c30342_6aza 1 . 17 . 4431 . 1 1 15 ASN N N 1.092 12.787 -0.471 . . . 1.0 . . . . . . . . . . . . A . 15 ASN N . . . . . . . . . c30342_6aza 1 . 17 . 4432 . 1 1 15 ASN ND2 N -3.205 12.176 -1.529 . . . 1.0 . . . . . . . . . . . . A . 15 ASN ND2 . . . . . . . . . c30342_6aza 1 . 17 . 4433 . 1 1 15 ASN O O -0.354 10.953 2.216 . . . 1.0 . . . . . . . . . . . . A . 15 ASN O . . . . . . . . . c30342_6aza 1 . 17 . 4434 . 1 1 15 ASN OD1 O -1.496 13.546 -2.027 . . . 1.0 . . . . . . . . . . . . A . 15 ASN OD1 . . . . . . . . . c30342_6aza 1 . 17 . 4435 . 1 1 16 CYS C C 2.380 10.212 3.296 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c30342_6aza 1 . 17 . 4436 . 1 1 16 CYS CA C 2.034 9.571 1.955 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c30342_6aza 1 . 17 . 4437 . 1 1 16 CYS CB C 3.273 8.891 1.368 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c30342_6aza 1 . 17 . 4438 . 1 1 16 CYS H H 2.033 10.786 0.221 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c30342_6aza 1 . 17 . 4439 . 1 1 16 CYS HA H 1.267 8.828 2.112 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c30342_6aza 1 . 17 . 4440 . 1 1 16 CYS HB2 H 3.760 9.572 0.687 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c30342_6aza 1 . 17 . 4441 . 1 1 16 CYS HB3 H 3.953 8.643 2.169 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c30342_6aza 1 . 17 . 4442 . 1 1 16 CYS N N 1.514 10.564 1.023 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c30342_6aza 1 . 17 . 4443 . 1 1 16 CYS O O 2.344 11.433 3.441 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c30342_6aza 1 . 17 . 4444 . 1 1 16 CYS SG S 2.914 7.357 0.452 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c30342_6aza 1 . 17 . 4445 . 1 1 17 GLY C C 1.884 9.878 6.543 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c30342_6aza 1 . 17 . 4446 . 1 1 17 GLY CA C 3.064 9.880 5.591 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c30342_6aza 1 . 17 . 4447 . 1 1 17 GLY H H 2.729 8.413 4.103 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c30342_6aza 1 . 17 . 4448 . 1 1 17 GLY HA2 H 3.848 9.263 6.005 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c30342_6aza 1 . 17 . 4449 . 1 1 17 GLY HA3 H 3.431 10.891 5.493 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c30342_6aza 1 . 17 . 4450 . 1 1 17 GLY N N 2.716 9.377 4.274 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c30342_6aza 1 . 17 . 4451 . 1 1 17 GLY O O 1.438 10.934 6.990 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c30342_6aza 1 . 17 . 4452 . 1 1 18 NH2 HN1 H 1.777 7.882 6.464 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . c30342_6aza 1 . 17 . 4453 . 1 1 18 NH2 HN2 H 0.599 8.597 7.473 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . c30342_6aza 1 . 17 . 4454 . 1 1 18 NH2 N N 1.377 8.689 6.852 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . c30342_6aza 1 . 18 . 4455 . 1 1 1 ARG C C 3.000 1.993 -0.314 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30342_6aza 1 . 18 . 4456 . 1 1 1 ARG CA C 3.625 0.996 0.656 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30342_6aza 1 . 18 . 4457 . 1 1 1 ARG CB C 3.303 -0.432 0.214 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30342_6aza 1 . 18 . 4458 . 1 1 1 ARG CD C 4.261 -2.730 -0.127 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30342_6aza 1 . 18 . 4459 . 1 1 1 ARG CG C 4.299 -1.465 0.715 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30342_6aza 1 . 18 . 4460 . 1 1 1 ARG CZ C 4.789 -5.117 0.139 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30342_6aza 1 . 18 . 4461 . 1 1 1 ARG H1 H 2.585 0.548 2.443 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30342_6aza 1 . 18 . 4462 . 1 1 1 ARG HA H 4.696 1.132 0.653 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30342_6aza 1 . 18 . 4463 . 1 1 1 ARG HB2 H 2.324 -0.699 0.583 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30342_6aza 1 . 18 . 4464 . 1 1 1 ARG HB3 H 3.294 -0.467 -0.866 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30342_6aza 1 . 18 . 4465 . 1 1 1 ARG HD2 H 3.231 -2.977 -0.335 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30342_6aza 1 . 18 . 4466 . 1 1 1 ARG HD3 H 4.781 -2.546 -1.055 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30342_6aza 1 . 18 . 4467 . 1 1 1 ARG HE H 5.416 -3.668 1.358 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30342_6aza 1 . 18 . 4468 . 1 1 1 ARG HG2 H 5.293 -1.045 0.669 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30342_6aza 1 . 18 . 4469 . 1 1 1 ARG HG3 H 4.059 -1.715 1.739 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30342_6aza 1 . 18 . 4470 . 1 1 1 ARG HH11 H 3.632 -4.675 -1.456 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30342_6aza 1 . 18 . 4471 . 1 1 1 ARG HH12 H 4.011 -6.353 -1.258 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30342_6aza 1 . 18 . 4472 . 1 1 1 ARG HH21 H 5.924 -5.876 1.630 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30342_6aza 1 . 18 . 4473 . 1 1 1 ARG HH22 H 5.315 -7.035 0.499 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30342_6aza 1 . 18 . 4474 . 1 1 1 ARG N N 3.149 1.225 2.015 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30342_6aza 1 . 18 . 4475 . 1 1 1 ARG NE N 4.891 -3.859 0.553 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30342_6aza 1 . 18 . 4476 . 1 1 1 ARG NH1 N 4.087 -5.405 -0.947 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30342_6aza 1 . 18 . 4477 . 1 1 1 ARG NH2 N 5.393 -6.089 0.811 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30342_6aza 1 . 18 . 4478 . 1 1 1 ARG O O 1.803 1.936 -0.596 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30342_6aza 1 . 18 . 4479 . 1 1 2 CYS C C 3.763 3.577 -3.186 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c30342_6aza 1 . 18 . 4480 . 1 1 2 CYS CA C 3.347 3.922 -1.758 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c30342_6aza 1 . 18 . 4481 . 1 1 2 CYS CB C 3.895 5.298 -1.374 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c30342_6aza 1 . 18 . 4482 . 1 1 2 CYS H H 4.763 2.906 -0.558 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c30342_6aza 1 . 18 . 4483 . 1 1 2 CYS HA H 2.269 3.946 -1.707 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c30342_6aza 1 . 18 . 4484 . 1 1 2 CYS HB2 H 4.949 5.336 -1.607 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c30342_6aza 1 . 18 . 4485 . 1 1 2 CYS HB3 H 3.377 6.056 -1.945 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c30342_6aza 1 . 18 . 4486 . 1 1 2 CYS N N 3.818 2.911 -0.821 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c30342_6aza 1 . 18 . 4487 . 1 1 2 CYS O O 4.272 2.487 -3.450 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c30342_6aza 1 . 18 . 4488 . 1 1 2 CYS SG S 3.704 5.708 0.390 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c30342_6aza 1 . 18 . 4489 . 1 1 3 LYS C C 5.399 4.102 -5.661 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . c30342_6aza 1 . 18 . 4490 . 1 1 3 LYS CA C 3.896 4.312 -5.503 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . c30342_6aza 1 . 18 . 4491 . 1 1 3 LYS CB C 3.445 5.509 -6.341 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . c30342_6aza 1 . 18 . 4492 . 1 1 3 LYS CD C 2.041 4.406 -8.107 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . c30342_6aza 1 . 18 . 4493 . 1 1 3 LYS CE C 0.858 5.321 -8.382 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . c30342_6aza 1 . 18 . 4494 . 1 1 3 LYS CG C 3.304 5.198 -7.821 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . c30342_6aza 1 . 18 . 4495 . 1 1 3 LYS H H 3.134 5.362 -3.831 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . c30342_6aza 1 . 18 . 4496 . 1 1 3 LYS HA H 3.383 3.427 -5.849 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . c30342_6aza 1 . 18 . 4497 . 1 1 3 LYS HB2 H 2.488 5.852 -5.975 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . c30342_6aza 1 . 18 . 4498 . 1 1 3 LYS HB3 H 4.169 6.304 -6.229 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . c30342_6aza 1 . 18 . 4499 . 1 1 3 LYS HD2 H 2.205 3.780 -8.972 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . c30342_6aza 1 . 18 . 4500 . 1 1 3 LYS HD3 H 1.814 3.785 -7.251 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . c30342_6aza 1 . 18 . 4501 . 1 1 3 LYS HE2 H -0.055 4.770 -8.211 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . c30342_6aza 1 . 18 . 4502 . 1 1 3 LYS HE3 H 0.905 6.160 -7.702 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . c30342_6aza 1 . 18 . 4503 . 1 1 3 LYS HG2 H 3.268 6.125 -8.375 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . c30342_6aza 1 . 18 . 4504 . 1 1 3 LYS HG3 H 4.160 4.620 -8.141 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . c30342_6aza 1 . 18 . 4505 . 1 1 3 LYS HZ1 H 0.083 5.401 -10.320 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 18 . 4506 . 1 1 3 LYS HZ2 H 1.762 5.589 -10.245 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 18 . 4507 . 1 1 3 LYS HZ3 H 0.747 6.863 -9.787 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 18 . 4508 . 1 1 3 LYS N N 3.543 4.513 -4.103 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . c30342_6aza 1 . 18 . 4509 . 1 1 3 LYS NZ N 0.863 5.830 -9.781 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . c30342_6aza 1 . 18 . 4510 . 1 1 3 LYS O O 6.189 4.546 -4.828 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . c30342_6aza 1 . 18 . 4511 . 1 1 4 THR C C 7.876 4.372 -7.625 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30342_6aza 1 . 18 . 4512 . 1 1 4 THR CA C 7.195 3.159 -7.004 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30342_6aza 1 . 18 . 4513 . 1 1 4 THR CB C 7.369 1.950 -7.944 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30342_6aza 1 . 18 . 4514 . 1 1 4 THR CG2 C 7.196 0.644 -7.184 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30342_6aza 1 . 18 . 4515 . 1 1 4 THR H H 5.110 3.098 -7.365 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30342_6aza 1 . 18 . 4516 . 1 1 4 THR HA H 7.676 2.929 -6.064 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30342_6aza 1 . 18 . 4517 . 1 1 4 THR HB H 8.366 1.978 -8.361 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30342_6aza 1 . 18 . 4518 . 1 1 4 THR HG1 H 6.537 2.836 -9.498 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30342_6aza 1 . 18 . 4519 . 1 1 4 THR HG21 H 6.374 0.738 -6.489 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30342_6aza 1 . 18 . 4520 . 1 1 4 THR HG22 H 8.103 0.420 -6.641 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30342_6aza 1 . 18 . 4521 . 1 1 4 THR HG23 H 6.986 -0.153 -7.881 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30342_6aza 1 . 18 . 4522 . 1 1 4 THR N N 5.787 3.425 -6.737 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30342_6aza 1 . 18 . 4523 . 1 1 4 THR O O 7.222 5.226 -8.226 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30342_6aza 1 . 18 . 4524 . 1 1 4 THR OG1 O 6.415 2.017 -9.010 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30342_6aza 1 . 18 . 4525 . 1 1 5 CYS C C 10.974 5.060 -9.056 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30342_6aza 1 . 18 . 4526 . 1 1 5 CYS CA C 9.967 5.556 -8.022 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30342_6aza 1 . 18 . 4527 . 1 1 5 CYS CB C 10.694 6.298 -6.900 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30342_6aza 1 . 18 . 4528 . 1 1 5 CYS H H 9.661 3.735 -6.986 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30342_6aza 1 . 18 . 4529 . 1 1 5 CYS HA H 9.279 6.233 -8.503 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30342_6aza 1 . 18 . 4530 . 1 1 5 CYS HB2 H 11.537 5.704 -6.572 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30342_6aza 1 . 18 . 4531 . 1 1 5 CYS HB3 H 11.054 7.244 -7.279 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30342_6aza 1 . 18 . 4532 . 1 1 5 CYS N N 9.194 4.445 -7.476 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30342_6aza 1 . 18 . 4533 . 1 1 5 CYS O O 11.121 3.858 -9.269 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30342_6aza 1 . 18 . 4534 . 1 1 5 CYS SG S 9.658 6.641 -5.441 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30342_6aza 1 . 18 . 4535 . 1 1 6 SER C C 13.655 4.639 -10.173 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . c30342_6aza 1 . 18 . 4536 . 1 1 6 SER CA C 12.657 5.659 -10.709 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . c30342_6aza 1 . 18 . 4537 . 1 1 6 SER CB C 13.395 6.917 -11.173 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . c30342_6aza 1 . 18 . 4538 . 1 1 6 SER H H 11.504 6.941 -9.480 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . c30342_6aza 1 . 18 . 4539 . 1 1 6 SER HA H 12.136 5.227 -11.551 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . c30342_6aza 1 . 18 . 4540 . 1 1 6 SER HB2 H 12.682 7.625 -11.566 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . c30342_6aza 1 . 18 . 4541 . 1 1 6 SER HB3 H 13.914 7.356 -10.333 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . c30342_6aza 1 . 18 . 4542 . 1 1 6 SER HG H 14.705 7.425 -12.537 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . c30342_6aza 1 . 18 . 4543 . 1 1 6 SER N N 11.666 5.998 -9.695 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . c30342_6aza 1 . 18 . 4544 . 1 1 6 SER O O 13.675 4.339 -8.979 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . c30342_6aza 1 . 18 . 4545 . 1 1 6 SER OG O 14.338 6.611 -12.184 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . c30342_6aza 1 . 18 . 4546 . 1 1 7 LYS C C 16.641 3.777 -9.933 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30342_6aza 1 . 18 . 4547 . 1 1 7 LYS CA C 15.488 3.120 -10.684 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30342_6aza 1 . 18 . 4548 . 1 1 7 LYS CB C 16.020 2.398 -11.925 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30342_6aza 1 . 18 . 4549 . 1 1 7 LYS CD C 18.047 1.070 -11.261 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30342_6aza 1 . 18 . 4550 . 1 1 7 LYS CE C 18.719 -0.283 -11.438 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30342_6aza 1 . 18 . 4551 . 1 1 7 LYS CG C 16.575 1.014 -11.631 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30342_6aza 1 . 18 . 4552 . 1 1 7 LYS H H 14.421 4.385 -12.002 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30342_6aza 1 . 18 . 4553 . 1 1 7 LYS HA H 15.015 2.399 -10.035 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30342_6aza 1 . 18 . 4554 . 1 1 7 LYS HB2 H 15.218 2.297 -12.640 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30342_6aza 1 . 18 . 4555 . 1 1 7 LYS HB3 H 16.808 2.994 -12.363 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30342_6aza 1 . 18 . 4556 . 1 1 7 LYS HD2 H 18.542 1.792 -11.895 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30342_6aza 1 . 18 . 4557 . 1 1 7 LYS HD3 H 18.137 1.375 -10.227 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30342_6aza 1 . 18 . 4558 . 1 1 7 LYS HE2 H 19.719 -0.228 -11.039 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30342_6aza 1 . 18 . 4559 . 1 1 7 LYS HE3 H 18.153 -1.025 -10.894 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30342_6aza 1 . 18 . 4560 . 1 1 7 LYS HG2 H 16.023 0.582 -10.810 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30342_6aza 1 . 18 . 4561 . 1 1 7 LYS HG3 H 16.457 0.396 -12.512 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30342_6aza 1 . 18 . 4562 . 1 1 7 LYS HZ1 H 18.248 -1.555 -13.026 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 18 . 4563 . 1 1 7 LYS HZ2 H 19.779 -0.849 -13.146 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 18 . 4564 . 1 1 7 LYS HZ3 H 18.396 0.069 -13.472 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 18 . 4565 . 1 1 7 LYS N N 14.485 4.106 -11.065 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30342_6aza 1 . 18 . 4566 . 1 1 7 LYS NZ N 18.791 -0.682 -12.872 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30342_6aza 1 . 18 . 4567 . 1 1 7 LYS O O 17.625 4.202 -10.534 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30342_6aza 1 . 18 . 4568 . 1 1 8 GLY C C 17.141 5.814 -7.247 . . . 1.0 . . . . . . . . . . . . A . 8 GLY C . . . . . . . . . c30342_6aza 1 . 18 . 4569 . 1 1 8 GLY CA C 17.550 4.464 -7.799 . . . 1.0 . . . . . . . . . . . . A . 8 GLY CA . . . . . . . . . c30342_6aza 1 . 18 . 4570 . 1 1 8 GLY H H 15.704 3.501 -8.185 . . . 1.0 . . . . . . . . . . . . A . 8 GLY H . . . . . . . . . c30342_6aza 1 . 18 . 4571 . 1 1 8 GLY HA2 H 17.779 3.803 -6.976 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA2 . . . . . . . . . c30342_6aza 1 . 18 . 4572 . 1 1 8 GLY HA3 H 18.436 4.590 -8.404 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA3 . . . . . . . . . c30342_6aza 1 . 18 . 4573 . 1 1 8 GLY N N 16.512 3.857 -8.611 . . . 1.0 . . . . . . . . . . . . A . 8 GLY N . . . . . . . . . c30342_6aza 1 . 18 . 4574 . 1 1 8 GLY O O 17.626 6.237 -6.198 . . . 1.0 . . . . . . . . . . . . A . 8 GLY O . . . . . . . . . c30342_6aza 1 . 18 . 4575 . 1 1 9 ARG C C 14.343 7.723 -6.997 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c30342_6aza 1 . 18 . 4576 . 1 1 9 ARG CA C 15.771 7.805 -7.531 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c30342_6aza 1 . 18 . 4577 . 1 1 9 ARG CB C 15.836 8.796 -8.695 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c30342_6aza 1 . 18 . 4578 . 1 1 9 ARG CD C 17.325 10.025 -10.302 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c30342_6aza 1 . 18 . 4579 . 1 1 9 ARG CG C 17.226 9.361 -8.939 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c30342_6aza 1 . 18 . 4580 . 1 1 9 ARG CZ C 19.109 10.515 -11.922 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c30342_6aza 1 . 18 . 4581 . 1 1 9 ARG H H 15.893 6.105 -8.783 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c30342_6aza 1 . 18 . 4582 . 1 1 9 ARG HA H 16.418 8.153 -6.738 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c30342_6aza 1 . 18 . 4583 . 1 1 9 ARG HB2 H 15.511 8.297 -9.595 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c30342_6aza 1 . 18 . 4584 . 1 1 9 ARG HB3 H 15.168 9.619 -8.489 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c30342_6aza 1 . 18 . 4585 . 1 1 9 ARG HD2 H 16.895 9.366 -11.041 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c30342_6aza 1 . 18 . 4586 . 1 1 9 ARG HD3 H 16.771 10.951 -10.279 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c30342_6aza 1 . 18 . 4587 . 1 1 9 ARG HE H 19.372 10.352 -9.952 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c30342_6aza 1 . 18 . 4588 . 1 1 9 ARG HG2 H 17.444 10.095 -8.176 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c30342_6aza 1 . 18 . 4589 . 1 1 9 ARG HG3 H 17.944 8.557 -8.884 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c30342_6aza 1 . 18 . 4590 . 1 1 9 ARG HH11 H 17.273 10.275 -12.727 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c30342_6aza 1 . 18 . 4591 . 1 1 9 ARG HH12 H 18.539 10.620 -13.858 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c30342_6aza 1 . 18 . 4592 . 1 1 9 ARG HH21 H 21.048 10.808 -11.429 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c30342_6aza 1 . 18 . 4593 . 1 1 9 ARG HH22 H 20.687 10.923 -13.119 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c30342_6aza 1 . 18 . 4594 . 1 1 9 ARG N N 16.244 6.494 -7.955 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c30342_6aza 1 . 18 . 4595 . 1 1 9 ARG NE N 18.709 10.311 -10.672 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c30342_6aza 1 . 18 . 4596 . 1 1 9 ARG NH1 N 18.235 10.465 -12.918 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c30342_6aza 1 . 18 . 4597 . 1 1 9 ARG NH2 N 20.386 10.770 -12.177 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c30342_6aza 1 . 18 . 4598 . 1 1 9 ARG O O 13.436 7.266 -7.692 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c30342_6aza 1 . 18 . 4599 . 1 1 10 CYS C C 12.683 9.299 -4.147 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30342_6aza 1 . 18 . 4600 . 1 1 10 CYS CA C 12.837 8.144 -5.132 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30342_6aza 1 . 18 . 4601 . 1 1 10 CYS CB C 12.618 6.812 -4.411 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30342_6aza 1 . 18 . 4602 . 1 1 10 CYS H H 14.916 8.522 -5.255 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30342_6aza 1 . 18 . 4603 . 1 1 10 CYS HA H 12.096 8.248 -5.910 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30342_6aza 1 . 18 . 4604 . 1 1 10 CYS HB2 H 12.865 6.003 -5.084 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30342_6aza 1 . 18 . 4605 . 1 1 10 CYS HB3 H 13.266 6.767 -3.549 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30342_6aza 1 . 18 . 4606 . 1 1 10 CYS N N 14.153 8.168 -5.760 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30342_6aza 1 . 18 . 4607 . 1 1 10 CYS O O 13.661 9.763 -3.561 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30342_6aza 1 . 18 . 4608 . 1 1 10 CYS SG S 10.908 6.551 -3.836 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30342_6aza 1 . 18 . 4609 . 1 1 11 ARG C C 9.875 10.605 -2.284 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . c30342_6aza 1 . 18 . 4610 . 1 1 11 ARG CA C 11.166 10.859 -3.059 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . c30342_6aza 1 . 18 . 4611 . 1 1 11 ARG CB C 11.059 12.174 -3.831 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . c30342_6aza 1 . 18 . 4612 . 1 1 11 ARG CD C 12.332 13.915 -5.124 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . c30342_6aza 1 . 18 . 4613 . 1 1 11 ARG CG C 12.390 12.890 -4.002 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . c30342_6aza 1 . 18 . 4614 . 1 1 11 ARG CZ C 13.860 15.434 -6.306 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . c30342_6aza 1 . 18 . 4615 . 1 1 11 ARG H H 10.709 9.346 -4.468 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . c30342_6aza 1 . 18 . 4616 . 1 1 11 ARG HA H 11.983 10.928 -2.358 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . c30342_6aza 1 . 18 . 4617 . 1 1 11 ARG HB2 H 10.657 11.972 -4.813 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . c30342_6aza 1 . 18 . 4618 . 1 1 11 ARG HB3 H 10.386 12.834 -3.304 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . c30342_6aza 1 . 18 . 4619 . 1 1 11 ARG HD2 H 11.895 13.451 -5.995 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . c30342_6aza 1 . 18 . 4620 . 1 1 11 ARG HD3 H 11.711 14.740 -4.806 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . c30342_6aza 1 . 18 . 4621 . 1 1 11 ARG HE H 14.431 13.986 -5.060 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . c30342_6aza 1 . 18 . 4622 . 1 1 11 ARG HG2 H 12.637 13.396 -3.079 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . c30342_6aza 1 . 18 . 4623 . 1 1 11 ARG HG3 H 13.152 12.160 -4.230 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . c30342_6aza 1 . 18 . 4624 . 1 1 11 ARG HH11 H 11.899 15.743 -6.678 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . c30342_6aza 1 . 18 . 4625 . 1 1 11 ARG HH12 H 12.987 16.807 -7.506 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . c30342_6aza 1 . 18 . 4626 . 1 1 11 ARG HH21 H 15.875 15.382 -6.142 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . c30342_6aza 1 . 18 . 4627 . 1 1 11 ARG HH22 H 15.249 16.600 -7.200 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . c30342_6aza 1 . 18 . 4628 . 1 1 11 ARG N N 11.448 9.758 -3.971 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . c30342_6aza 1 . 18 . 4629 . 1 1 11 ARG NE N 13.657 14.423 -5.470 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . c30342_6aza 1 . 18 . 4630 . 1 1 11 ARG NH1 N 12.831 16.045 -6.877 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . c30342_6aza 1 . 18 . 4631 . 1 1 11 ARG NH2 N 15.096 15.839 -6.571 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . c30342_6aza 1 . 18 . 4632 . 1 1 11 ARG O O 9.034 9.797 -2.679 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . c30342_6aza 1 . 18 . 4633 . 1 1 12 PRO C C 7.277 11.755 -0.957 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . c30342_6aza 1 . 18 . 4634 . 1 1 12 PRO CA C 8.528 11.181 -0.303 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . c30342_6aza 1 . 18 . 4635 . 1 1 12 PRO CB C 8.899 11.989 0.944 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . c30342_6aza 1 . 18 . 4636 . 1 1 12 PRO CD C 10.674 12.294 -0.626 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . c30342_6aza 1 . 18 . 4637 . 1 1 12 PRO CG C 9.905 12.979 0.469 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . c30342_6aza 1 . 18 . 4638 . 1 1 12 PRO HA H 8.349 10.153 -0.027 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . c30342_6aza 1 . 18 . 4639 . 1 1 12 PRO HB2 H 8.015 12.478 1.334 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . c30342_6aza 1 . 18 . 4640 . 1 1 12 PRO HB3 H 9.313 11.333 1.693 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . c30342_6aza 1 . 18 . 4641 . 1 1 12 PRO HD2 H 10.960 13.004 -1.389 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . c30342_6aza 1 . 18 . 4642 . 1 1 12 PRO HD3 H 11.546 11.800 -0.223 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . c30342_6aza 1 . 18 . 4643 . 1 1 12 PRO HG2 H 9.405 13.857 0.085 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . c30342_6aza 1 . 18 . 4644 . 1 1 12 PRO HG3 H 10.565 13.247 1.279 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . c30342_6aza 1 . 18 . 4645 . 1 1 12 PRO N N 9.713 11.313 -1.156 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . c30342_6aza 1 . 18 . 4646 . 1 1 12 PRO O O 7.335 12.776 -1.645 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . c30342_6aza 1 . 18 . 4647 . 1 1 13 LYS C C 4.249 12.632 -0.446 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c30342_6aza 1 . 18 . 4648 . 1 1 13 LYS CA C 4.877 11.540 -1.307 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c30342_6aza 1 . 18 . 4649 . 1 1 13 LYS CB C 3.911 10.359 -1.438 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c30342_6aza 1 . 18 . 4650 . 1 1 13 LYS CD C 3.709 10.200 -3.936 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c30342_6aza 1 . 18 . 4651 . 1 1 13 LYS CE C 3.941 9.332 -5.163 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c30342_6aza 1 . 18 . 4652 . 1 1 13 LYS CG C 4.162 9.501 -2.666 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c30342_6aza 1 . 18 . 4653 . 1 1 13 LYS H H 6.162 10.288 -0.182 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c30342_6aza 1 . 18 . 4654 . 1 1 13 LYS HA H 5.076 11.942 -2.289 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c30342_6aza 1 . 18 . 4655 . 1 1 13 LYS HB2 H 4.004 9.735 -0.562 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c30342_6aza 1 . 18 . 4656 . 1 1 13 LYS HB3 H 2.901 10.741 -1.491 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c30342_6aza 1 . 18 . 4657 . 1 1 13 LYS HD2 H 2.654 10.420 -3.859 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c30342_6aza 1 . 18 . 4658 . 1 1 13 LYS HD3 H 4.263 11.122 -4.049 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c30342_6aza 1 . 18 . 4659 . 1 1 13 LYS HE2 H 3.676 8.313 -4.923 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c30342_6aza 1 . 18 . 4660 . 1 1 13 LYS HE3 H 3.311 9.689 -5.966 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c30342_6aza 1 . 18 . 4661 . 1 1 13 LYS HG2 H 5.220 9.295 -2.739 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c30342_6aza 1 . 18 . 4662 . 1 1 13 LYS HG3 H 3.619 8.573 -2.562 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c30342_6aza 1 . 18 . 4663 . 1 1 13 LYS HZ1 H 5.426 9.119 -6.617 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 18 . 4664 . 1 1 13 LYS HZ2 H 5.927 8.694 -5.058 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 18 . 4665 . 1 1 13 LYS HZ3 H 5.753 10.324 -5.475 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 18 . 4666 . 1 1 13 LYS N N 6.144 11.095 -0.739 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c30342_6aza 1 . 18 . 4667 . 1 1 13 LYS NZ N 5.361 9.371 -5.609 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c30342_6aza 1 . 18 . 4668 . 1 1 13 LYS O O 4.542 12.764 0.741 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c30342_6aza 1 . 18 . 4669 . 1 1 14 PRO C C 1.659 14.016 0.654 . . . 1.0 . . . . . . . . . . . . A . 14 PRO C . . . . . . . . . c30342_6aza 1 . 18 . 4670 . 1 1 14 PRO CA C 2.674 14.524 -0.365 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CA . . . . . . . . . c30342_6aza 1 . 18 . 4671 . 1 1 14 PRO CB C 1.965 15.271 -1.498 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CB . . . . . . . . . c30342_6aza 1 . 18 . 4672 . 1 1 14 PRO CD C 2.966 13.332 -2.473 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CD . . . . . . . . . c30342_6aza 1 . 18 . 4673 . 1 1 14 PRO CG C 1.779 14.251 -2.567 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CG . . . . . . . . . c30342_6aza 1 . 18 . 4674 . 1 1 14 PRO HA H 3.373 15.187 0.124 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HA . . . . . . . . . c30342_6aza 1 . 18 . 4675 . 1 1 14 PRO HB2 H 1.017 15.651 -1.144 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB2 . . . . . . . . . c30342_6aza 1 . 18 . 4676 . 1 1 14 PRO HB3 H 2.584 16.089 -1.837 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB3 . . . . . . . . . c30342_6aza 1 . 18 . 4677 . 1 1 14 PRO HD2 H 2.680 12.321 -2.722 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD2 . . . . . . . . . c30342_6aza 1 . 18 . 4678 . 1 1 14 PRO HD3 H 3.759 13.671 -3.120 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD3 . . . . . . . . . c30342_6aza 1 . 18 . 4679 . 1 1 14 PRO HG2 H 0.865 13.703 -2.396 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG2 . . . . . . . . . c30342_6aza 1 . 18 . 4680 . 1 1 14 PRO HG3 H 1.755 14.731 -3.533 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG3 . . . . . . . . . c30342_6aza 1 . 18 . 4681 . 1 1 14 PRO N N 3.363 13.432 -1.057 . . . 1.0 . . . . . . . . . . . . A . 14 PRO N . . . . . . . . . c30342_6aza 1 . 18 . 4682 . 1 1 14 PRO O O 1.556 14.547 1.759 . . . 1.0 . . . . . . . . . . . . A . 14 PRO O . . . . . . . . . c30342_6aza 1 . 18 . 4683 . 1 1 15 ASN C C 0.379 11.065 1.715 . . . 1.0 . . . . . . . . . . . . A . 15 ASN C . . . . . . . . . c30342_6aza 1 . 18 . 4684 . 1 1 15 ASN CA C -0.094 12.403 1.156 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CA . . . . . . . . . c30342_6aza 1 . 18 . 4685 . 1 1 15 ASN CB C -1.414 12.218 0.405 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CB . . . . . . . . . c30342_6aza 1 . 18 . 4686 . 1 1 15 ASN CG C -2.537 11.760 1.314 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CG . . . . . . . . . c30342_6aza 1 . 18 . 4687 . 1 1 15 ASN H H 1.042 12.602 -0.618 . . . 1.0 . . . . . . . . . . . . A . 15 ASN H . . . . . . . . . c30342_6aza 1 . 18 . 4688 . 1 1 15 ASN HA H -0.249 13.088 1.976 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HA . . . . . . . . . c30342_6aza 1 . 18 . 4689 . 1 1 15 ASN HB2 H -1.700 13.158 -0.044 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB2 . . . . . . . . . c30342_6aza 1 . 18 . 4690 . 1 1 15 ASN HB3 H -1.279 11.480 -0.371 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB3 . . . . . . . . . c30342_6aza 1 . 18 . 4691 . 1 1 15 ASN HD21 H -3.208 13.625 1.468 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD21 . . . . . . . . . c30342_6aza 1 . 18 . 4692 . 1 1 15 ASN HD22 H -4.100 12.433 2.342 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD22 . . . . . . . . . c30342_6aza 1 . 18 . 4693 . 1 1 15 ASN N N 0.913 12.984 0.274 . . . 1.0 . . . . . . . . . . . . A . 15 ASN N . . . . . . . . . c30342_6aza 1 . 18 . 4694 . 1 1 15 ASN ND2 N -3.365 12.701 1.752 . . . 1.0 . . . . . . . . . . . . A . 15 ASN ND2 . . . . . . . . . c30342_6aza 1 . 18 . 4695 . 1 1 15 ASN O O -0.014 10.664 2.811 . . . 1.0 . . . . . . . . . . . . A . 15 ASN O . . . . . . . . . c30342_6aza 1 . 18 . 4696 . 1 1 15 ASN OD1 O -2.659 10.574 1.620 . . . 1.0 . . . . . . . . . . . . A . 15 ASN OD1 . . . . . . . . . c30342_6aza 1 . 18 . 4697 . 1 1 16 CYS C C 3.166 9.228 1.929 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c30342_6aza 1 . 18 . 4698 . 1 1 16 CYS CA C 1.752 9.085 1.372 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c30342_6aza 1 . 18 . 4699 . 1 1 16 CYS CB C 1.751 8.106 0.196 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c30342_6aza 1 . 18 . 4700 . 1 1 16 CYS H H 1.502 10.750 0.090 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c30342_6aza 1 . 18 . 4701 . 1 1 16 CYS HA H 1.110 8.699 2.150 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c30342_6aza 1 . 18 . 4702 . 1 1 16 CYS HB2 H 0.845 8.243 -0.376 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c30342_6aza 1 . 18 . 4703 . 1 1 16 CYS HB3 H 2.603 8.313 -0.434 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c30342_6aza 1 . 18 . 4704 . 1 1 16 CYS N N 1.225 10.379 0.954 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c30342_6aza 1 . 18 . 4705 . 1 1 16 CYS O O 4.103 8.599 1.439 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c30342_6aza 1 . 18 . 4706 . 1 1 16 CYS SG S 1.835 6.354 0.687 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c30342_6aza 1 . 18 . 4707 . 1 1 17 GLY C C 4.992 9.158 4.522 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c30342_6aza 1 . 18 . 4708 . 1 1 17 GLY CA C 4.612 10.269 3.562 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c30342_6aza 1 . 18 . 4709 . 1 1 17 GLY H H 2.527 10.532 3.306 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c30342_6aza 1 . 18 . 4710 . 1 1 17 GLY HA2 H 5.357 10.325 2.781 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c30342_6aza 1 . 18 . 4711 . 1 1 17 GLY HA3 H 4.598 11.205 4.101 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c30342_6aza 1 . 18 . 4712 . 1 1 17 GLY N N 3.311 10.058 2.956 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c30342_6aza 1 . 18 . 4713 . 1 1 17 GLY O O 4.185 8.747 5.354 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c30342_6aza 1 . 18 . 4714 . 1 1 18 NH2 HN1 H 6.820 9.041 3.721 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . c30342_6aza 1 . 18 . 4715 . 1 1 18 NH2 HN2 H 6.554 7.938 4.997 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . c30342_6aza 1 . 18 . 4716 . 1 1 18 NH2 N N 6.223 8.672 4.404 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . c30342_6aza 1 . 19 . 4717 . 1 1 1 ARG C C 3.986 1.043 -1.659 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30342_6aza 1 . 19 . 4718 . 1 1 1 ARG CA C 4.554 -0.174 -0.935 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30342_6aza 1 . 19 . 4719 . 1 1 1 ARG CB C 5.263 -1.091 -1.935 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30342_6aza 1 . 19 . 4720 . 1 1 1 ARG CD C 7.485 -1.673 -2.954 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30342_6aza 1 . 19 . 4721 . 1 1 1 ARG CG C 6.610 -0.560 -2.400 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30342_6aza 1 . 19 . 4722 . 1 1 1 ARG CZ C 8.896 -2.405 -1.078 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30342_6aza 1 . 19 . 4723 . 1 1 1 ARG H1 H 3.549 -1.881 -0.190 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30342_6aza 1 . 19 . 4724 . 1 1 1 ARG HA H 5.269 0.160 -0.199 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30342_6aza 1 . 19 . 4725 . 1 1 1 ARG HB2 H 5.421 -2.055 -1.473 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30342_6aza 1 . 19 . 4726 . 1 1 1 ARG HB3 H 4.630 -1.215 -2.800 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30342_6aza 1 . 19 . 4727 . 1 1 1 ARG HD2 H 6.933 -2.202 -3.716 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30342_6aza 1 . 19 . 4728 . 1 1 1 ARG HD3 H 8.370 -1.232 -3.391 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30342_6aza 1 . 19 . 4729 . 1 1 1 ARG HE H 7.384 -3.455 -1.844 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30342_6aza 1 . 19 . 4730 . 1 1 1 ARG HG2 H 6.448 0.175 -3.174 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30342_6aza 1 . 19 . 4731 . 1 1 1 ARG HG3 H 7.111 -0.100 -1.562 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30342_6aza 1 . 19 . 4732 . 1 1 1 ARG HH11 H 9.369 -0.595 -1.842 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30342_6aza 1 . 19 . 4733 . 1 1 1 ARG HH12 H 10.355 -1.124 -0.519 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30342_6aza 1 . 19 . 4734 . 1 1 1 ARG HH21 H 8.675 -4.161 -0.102 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30342_6aza 1 . 19 . 4735 . 1 1 1 ARG HH22 H 9.961 -3.153 0.469 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30342_6aza 1 . 19 . 4736 . 1 1 1 ARG N N 3.501 -0.903 -0.239 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30342_6aza 1 . 19 . 4737 . 1 1 1 ARG NE N 7.889 -2.619 -1.917 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30342_6aza 1 . 19 . 4738 . 1 1 1 ARG NH1 N 9.599 -1.283 -1.153 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30342_6aza 1 . 19 . 4739 . 1 1 1 ARG NH2 N 9.203 -3.314 -0.162 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30342_6aza 1 . 19 . 4740 . 1 1 1 ARG O O 4.165 1.200 -2.867 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30342_6aza 1 . 19 . 4741 . 1 1 2 CYS C C 3.760 3.957 -2.180 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c30342_6aza 1 . 19 . 4742 . 1 1 2 CYS CA C 2.704 3.105 -1.483 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c30342_6aza 1 . 19 . 4743 . 1 1 2 CYS CB C 2.013 3.923 -0.389 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c30342_6aza 1 . 19 . 4744 . 1 1 2 CYS H H 3.191 1.722 0.045 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c30342_6aza 1 . 19 . 4745 . 1 1 2 CYS HA H 1.968 2.798 -2.210 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c30342_6aza 1 . 19 . 4746 . 1 1 2 CYS HB2 H 1.391 3.267 0.203 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c30342_6aza 1 . 19 . 4747 . 1 1 2 CYS HB3 H 2.766 4.368 0.245 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c30342_6aza 1 . 19 . 4748 . 1 1 2 CYS N N 3.300 1.902 -0.914 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c30342_6aza 1 . 19 . 4749 . 1 1 2 CYS O O 3.585 4.366 -3.329 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c30342_6aza 1 . 19 . 4750 . 1 1 2 CYS SG S 0.955 5.264 -1.022 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c30342_6aza 1 . 19 . 4751 . 1 1 3 LYS C C 6.639 4.285 -3.172 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . c30342_6aza 1 . 19 . 4752 . 1 1 3 LYS CA C 5.944 5.020 -2.032 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . c30342_6aza 1 . 19 . 4753 . 1 1 3 LYS CB C 6.960 5.362 -0.938 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . c30342_6aza 1 . 19 . 4754 . 1 1 3 LYS CD C 7.373 6.264 1.370 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . c30342_6aza 1 . 19 . 4755 . 1 1 3 LYS CE C 7.735 4.966 2.073 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . c30342_6aza 1 . 19 . 4756 . 1 1 3 LYS CG C 6.343 6.036 0.275 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . c30342_6aza 1 . 19 . 4757 . 1 1 3 LYS H H 4.941 3.864 -0.569 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . c30342_6aza 1 . 19 . 4758 . 1 1 3 LYS HA H 5.520 5.936 -2.414 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . c30342_6aza 1 . 19 . 4759 . 1 1 3 LYS HB2 H 7.440 4.451 -0.613 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . c30342_6aza 1 . 19 . 4760 . 1 1 3 LYS HB3 H 7.707 6.024 -1.351 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . c30342_6aza 1 . 19 . 4761 . 1 1 3 LYS HD2 H 8.266 6.684 0.930 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . c30342_6aza 1 . 19 . 4762 . 1 1 3 LYS HD3 H 6.967 6.956 2.096 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . c30342_6aza 1 . 19 . 4763 . 1 1 3 LYS HE2 H 6.848 4.359 2.161 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . c30342_6aza 1 . 19 . 4764 . 1 1 3 LYS HE3 H 8.471 4.444 1.478 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . c30342_6aza 1 . 19 . 4765 . 1 1 3 LYS HG2 H 5.933 6.990 -0.023 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . c30342_6aza 1 . 19 . 4766 . 1 1 3 LYS HG3 H 5.553 5.408 0.663 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . c30342_6aza 1 . 19 . 4767 . 1 1 3 LYS HZ1 H 8.800 6.118 3.452 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 19 . 4768 . 1 1 3 LYS HZ2 H 8.961 4.450 3.685 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 19 . 4769 . 1 1 3 LYS HZ3 H 7.530 5.233 4.135 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 19 . 4770 . 1 1 3 LYS N N 4.857 4.219 -1.479 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . c30342_6aza 1 . 19 . 4771 . 1 1 3 LYS NZ N 8.295 5.209 3.431 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . c30342_6aza 1 . 19 . 4772 . 1 1 3 LYS O O 7.012 3.119 -3.037 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . c30342_6aza 1 . 19 . 4773 . 1 1 4 THR C C 8.739 5.133 -5.815 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30342_6aza 1 . 19 . 4774 . 1 1 4 THR CA C 7.460 4.384 -5.461 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30342_6aza 1 . 19 . 4775 . 1 1 4 THR CB C 6.525 4.383 -6.686 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30342_6aza 1 . 19 . 4776 . 1 1 4 THR CG2 C 5.271 3.566 -6.408 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30342_6aza 1 . 19 . 4777 . 1 1 4 THR H H 6.491 5.898 -4.343 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30342_6aza 1 . 19 . 4778 . 1 1 4 THR HA H 7.708 3.360 -5.222 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30342_6aza 1 . 19 . 4779 . 1 1 4 THR HB H 7.050 3.938 -7.519 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30342_6aza 1 . 19 . 4780 . 1 1 4 THR HG1 H 6.862 6.126 -7.542 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30342_6aza 1 . 19 . 4781 . 1 1 4 THR HG21 H 4.400 4.134 -6.696 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30342_6aza 1 . 19 . 4782 . 1 1 4 THR HG22 H 5.220 3.334 -5.354 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30342_6aza 1 . 19 . 4783 . 1 1 4 THR HG23 H 5.306 2.649 -6.978 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30342_6aza 1 . 19 . 4784 . 1 1 4 THR N N 6.811 4.972 -4.297 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30342_6aza 1 . 19 . 4785 . 1 1 4 THR O O 8.879 6.320 -5.516 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30342_6aza 1 . 19 . 4786 . 1 1 4 THR OG1 O 6.160 5.725 -7.025 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30342_6aza 1 . 19 . 4787 . 1 1 5 CYS C C 10.945 5.370 -8.336 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30342_6aza 1 . 19 . 4788 . 1 1 5 CYS CA C 10.942 5.034 -6.847 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30342_6aza 1 . 19 . 4789 . 1 1 5 CYS CB C 12.099 4.087 -6.524 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30342_6aza 1 . 19 . 4790 . 1 1 5 CYS H H 9.503 3.491 -6.663 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30342_6aza 1 . 19 . 4791 . 1 1 5 CYS HA H 11.067 5.947 -6.285 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30342_6aza 1 . 19 . 4792 . 1 1 5 CYS HB2 H 12.071 3.252 -7.208 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30342_6aza 1 . 19 . 4793 . 1 1 5 CYS HB3 H 13.031 4.617 -6.647 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30342_6aza 1 . 19 . 4794 . 1 1 5 CYS N N 9.672 4.434 -6.452 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30342_6aza 1 . 19 . 4795 . 1 1 5 CYS O O 10.592 4.537 -9.172 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30342_6aza 1 . 19 . 4796 . 1 1 5 CYS SG S 12.060 3.416 -4.831 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30342_6aza 1 . 19 . 4797 . 1 1 6 SER C C 12.832 7.122 -10.544 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . c30342_6aza 1 . 19 . 4798 . 1 1 6 SER CA C 11.392 7.043 -10.047 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . c30342_6aza 1 . 19 . 4799 . 1 1 6 SER CB C 10.716 8.409 -10.187 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . c30342_6aza 1 . 19 . 4800 . 1 1 6 SER H H 11.613 7.214 -7.948 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . c30342_6aza 1 . 19 . 4801 . 1 1 6 SER HA H 10.855 6.322 -10.646 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . c30342_6aza 1 . 19 . 4802 . 1 1 6 SER HB2 H 11.138 9.091 -9.466 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . c30342_6aza 1 . 19 . 4803 . 1 1 6 SER HB3 H 10.884 8.789 -11.184 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . c30342_6aza 1 . 19 . 4804 . 1 1 6 SER HG H 9.111 8.659 -9.093 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . c30342_6aza 1 . 19 . 4805 . 1 1 6 SER N N 11.344 6.595 -8.659 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . c30342_6aza 1 . 19 . 4806 . 1 1 6 SER O O 13.695 7.713 -9.894 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . c30342_6aza 1 . 19 . 4807 . 1 1 6 SER OG O 9.320 8.312 -9.963 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . c30342_6aza 1 . 19 . 4808 . 1 1 7 LYS C C 15.456 6.026 -11.289 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30342_6aza 1 . 19 . 4809 . 1 1 7 LYS CA C 14.419 6.523 -12.290 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30342_6aza 1 . 19 . 4810 . 1 1 7 LYS CB C 14.786 7.930 -12.767 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30342_6aza 1 . 19 . 4811 . 1 1 7 LYS CD C 15.797 9.127 -14.730 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30342_6aza 1 . 19 . 4812 . 1 1 7 LYS CE C 17.001 9.225 -15.653 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30342_6aza 1 . 19 . 4813 . 1 1 7 LYS CG C 15.923 7.953 -13.775 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30342_6aza 1 . 19 . 4814 . 1 1 7 LYS H H 12.354 6.066 -12.174 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30342_6aza 1 . 19 . 4815 . 1 1 7 LYS HA H 14.407 5.856 -13.138 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30342_6aza 1 . 19 . 4816 . 1 1 7 LYS HB2 H 13.919 8.380 -13.224 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30342_6aza 1 . 19 . 4817 . 1 1 7 LYS HB3 H 15.080 8.521 -11.911 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30342_6aza 1 . 19 . 4818 . 1 1 7 LYS HD2 H 14.908 8.999 -15.329 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30342_6aza 1 . 19 . 4819 . 1 1 7 LYS HD3 H 15.719 10.040 -14.156 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30342_6aza 1 . 19 . 4820 . 1 1 7 LYS HE2 H 17.796 9.740 -15.135 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30342_6aza 1 . 19 . 4821 . 1 1 7 LYS HE3 H 17.324 8.227 -15.910 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30342_6aza 1 . 19 . 4822 . 1 1 7 LYS HG2 H 16.860 8.032 -13.245 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30342_6aza 1 . 19 . 4823 . 1 1 7 LYS HG3 H 15.905 7.035 -14.344 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30342_6aza 1 . 19 . 4824 . 1 1 7 LYS HZ1 H 17.433 9.820 -17.610 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 19 . 4825 . 1 1 7 LYS HZ2 H 16.602 10.985 -16.707 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 19 . 4826 . 1 1 7 LYS HZ3 H 15.780 9.630 -17.300 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 19 . 4827 . 1 1 7 LYS N N 13.084 6.521 -11.703 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30342_6aza 1 . 19 . 4828 . 1 1 7 LYS NZ N 16.681 9.966 -16.905 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30342_6aza 1 . 19 . 4829 . 1 1 7 LYS O O 16.604 6.466 -11.300 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30342_6aza 1 . 19 . 4830 . 1 1 8 GLY C C 15.890 5.325 -8.114 . . . 1.0 . . . . . . . . . . . . A . 8 GLY C . . . . . . . . . c30342_6aza 1 . 19 . 4831 . 1 1 8 GLY CA C 15.948 4.565 -9.425 . . . 1.0 . . . . . . . . . . . . A . 8 GLY CA . . . . . . . . . c30342_6aza 1 . 19 . 4832 . 1 1 8 GLY H H 14.115 4.793 -10.459 . . . 1.0 . . . . . . . . . . . . A . 8 GLY H . . . . . . . . . c30342_6aza 1 . 19 . 4833 . 1 1 8 GLY HA2 H 15.690 3.533 -9.244 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA2 . . . . . . . . . c30342_6aza 1 . 19 . 4834 . 1 1 8 GLY HA3 H 16.957 4.611 -9.811 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA3 . . . . . . . . . c30342_6aza 1 . 19 . 4835 . 1 1 8 GLY N N 15.042 5.106 -10.421 . . . 1.0 . . . . . . . . . . . . A . 8 GLY N . . . . . . . . . c30342_6aza 1 . 19 . 4836 . 1 1 8 GLY O O 16.168 4.766 -7.053 . . . 1.0 . . . . . . . . . . . . A . 8 GLY O . . . . . . . . . c30342_6aza 1 . 19 . 4837 . 1 1 9 ARG C C 14.264 7.014 -6.123 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c30342_6aza 1 . 19 . 4838 . 1 1 9 ARG CA C 15.439 7.439 -6.999 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c30342_6aza 1 . 19 . 4839 . 1 1 9 ARG CB C 15.288 8.909 -7.395 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c30342_6aza 1 . 19 . 4840 . 1 1 9 ARG CD C 16.296 10.799 -8.710 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c30342_6aza 1 . 19 . 4841 . 1 1 9 ARG CG C 16.573 9.538 -7.907 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c30342_6aza 1 . 19 . 4842 . 1 1 9 ARG CZ C 18.500 11.843 -9.025 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c30342_6aza 1 . 19 . 4843 . 1 1 9 ARG H H 15.321 6.990 -9.064 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c30342_6aza 1 . 19 . 4844 . 1 1 9 ARG HA H 16.353 7.319 -6.437 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c30342_6aza 1 . 19 . 4845 . 1 1 9 ARG HB2 H 14.541 8.986 -8.171 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c30342_6aza 1 . 19 . 4846 . 1 1 9 ARG HB3 H 14.958 9.470 -6.532 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c30342_6aza 1 . 19 . 4847 . 1 1 9 ARG HD2 H 15.456 10.616 -9.364 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c30342_6aza 1 . 19 . 4848 . 1 1 9 ARG HD3 H 16.052 11.597 -8.026 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c30342_6aza 1 . 19 . 4849 . 1 1 9 ARG HE H 17.432 10.975 -10.469 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c30342_6aza 1 . 19 . 4850 . 1 1 9 ARG HG2 H 17.201 9.790 -7.064 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c30342_6aza 1 . 19 . 4851 . 1 1 9 ARG HG3 H 17.084 8.825 -8.537 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c30342_6aza 1 . 19 . 4852 . 1 1 9 ARG HH11 H 17.788 11.910 -7.135 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c30342_6aza 1 . 19 . 4853 . 1 1 9 ARG HH12 H 19.341 12.643 -7.371 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c30342_6aza 1 . 19 . 4854 . 1 1 9 ARG HH21 H 19.475 11.936 -10.793 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c30342_6aza 1 . 19 . 4855 . 1 1 9 ARG HH22 H 20.299 12.658 -9.452 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c30342_6aza 1 . 19 . 4856 . 1 1 9 ARG N N 15.529 6.601 -8.189 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c30342_6aza 1 . 19 . 4857 . 1 1 9 ARG NE N 17.446 11.198 -9.517 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c30342_6aza 1 . 19 . 4858 . 1 1 9 ARG NH1 N 18.547 12.159 -7.739 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c30342_6aza 1 . 19 . 4859 . 1 1 9 ARG NH2 N 19.507 12.173 -9.822 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c30342_6aza 1 . 19 . 4860 . 1 1 9 ARG O O 13.130 6.915 -6.592 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c30342_6aza 1 . 19 . 4861 . 1 1 10 CYS C C 13.218 7.455 -2.898 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30342_6aza 1 . 19 . 4862 . 1 1 10 CYS CA C 13.512 6.347 -3.905 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30342_6aza 1 . 19 . 4863 . 1 1 10 CYS CB C 13.944 5.076 -3.172 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30342_6aza 1 . 19 . 4864 . 1 1 10 CYS H H 15.468 6.859 -4.533 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30342_6aza 1 . 19 . 4865 . 1 1 10 CYS HA H 12.613 6.141 -4.467 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30342_6aza 1 . 19 . 4866 . 1 1 10 CYS HB2 H 14.930 5.226 -2.760 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30342_6aza 1 . 19 . 4867 . 1 1 10 CYS HB3 H 13.250 4.880 -2.369 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30342_6aza 1 . 19 . 4868 . 1 1 10 CYS N N 14.544 6.763 -4.847 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30342_6aza 1 . 19 . 4869 . 1 1 10 CYS O O 14.076 7.821 -2.094 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30342_6aza 1 . 19 . 4870 . 1 1 10 CYS SG S 14.005 3.594 -4.228 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30342_6aza 1 . 19 . 4871 . 1 1 11 ARG C C 10.090 8.997 -1.778 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . c30342_6aza 1 . 19 . 4872 . 1 1 11 ARG CA C 11.592 9.049 -2.038 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . c30342_6aza 1 . 19 . 4873 . 1 1 11 ARG CB C 11.973 10.414 -2.616 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . c30342_6aza 1 . 19 . 4874 . 1 1 11 ARG CD C 13.613 12.319 -2.620 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . c30342_6aza 1 . 19 . 4875 . 1 1 11 ARG CG C 13.374 10.866 -2.238 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . c30342_6aza 1 . 19 . 4876 . 1 1 11 ARG CZ C 13.393 13.771 -4.591 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . c30342_6aza 1 . 19 . 4877 . 1 1 11 ARG H H 11.360 7.650 -3.609 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . c30342_6aza 1 . 19 . 4878 . 1 1 11 ARG HA H 12.113 8.906 -1.104 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . c30342_6aza 1 . 19 . 4879 . 1 1 11 ARG HB2 H 11.915 10.365 -3.693 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . c30342_6aza 1 . 19 . 4880 . 1 1 11 ARG HB3 H 11.271 11.151 -2.257 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . c30342_6aza 1 . 19 . 4881 . 1 1 11 ARG HD2 H 12.993 12.947 -1.999 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . c30342_6aza 1 . 19 . 4882 . 1 1 11 ARG HD3 H 14.652 12.555 -2.446 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . c30342_6aza 1 . 19 . 4883 . 1 1 11 ARG HE H 12.994 11.817 -4.565 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . c30342_6aza 1 . 19 . 4884 . 1 1 11 ARG HG2 H 13.500 10.762 -1.170 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . c30342_6aza 1 . 19 . 4885 . 1 1 11 ARG HG3 H 14.094 10.244 -2.750 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . c30342_6aza 1 . 19 . 4886 . 1 1 11 ARG HH11 H 14.031 14.702 -2.916 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . c30342_6aza 1 . 19 . 4887 . 1 1 11 ARG HH12 H 13.871 15.714 -4.312 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . c30342_6aza 1 . 19 . 4888 . 1 1 11 ARG HH21 H 12.780 13.139 -6.411 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . c30342_6aza 1 . 19 . 4889 . 1 1 11 ARG HH22 H 13.158 14.826 -6.300 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . c30342_6aza 1 . 19 . 4890 . 1 1 11 ARG N N 12.000 7.983 -2.947 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . c30342_6aza 1 . 19 . 4891 . 1 1 11 ARG NE N 13.296 12.574 -4.022 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . c30342_6aza 1 . 19 . 4892 . 1 1 11 ARG NH1 N 13.797 14.815 -3.881 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . c30342_6aza 1 . 19 . 4893 . 1 1 11 ARG NH2 N 13.086 13.925 -5.872 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . c30342_6aza 1 . 19 . 4894 . 1 1 11 ARG O O 9.324 8.399 -2.533 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . c30342_6aza 1 . 19 . 4895 . 1 1 12 PRO C C 7.408 10.532 -1.242 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . c30342_6aza 1 . 19 . 4896 . 1 1 12 PRO CA C 8.244 9.678 -0.295 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . c30342_6aza 1 . 19 . 4897 . 1 1 12 PRO CB C 8.276 10.304 1.101 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . c30342_6aza 1 . 19 . 4898 . 1 1 12 PRO CD C 10.514 10.371 0.266 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . c30342_6aza 1 . 19 . 4899 . 1 1 12 PRO CG C 9.527 11.110 1.126 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . c30342_6aza 1 . 19 . 4900 . 1 1 12 PRO HA H 7.819 8.686 -0.237 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . c30342_6aza 1 . 19 . 4901 . 1 1 12 PRO HB2 H 7.402 10.926 1.240 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . c30342_6aza 1 . 19 . 4902 . 1 1 12 PRO HB3 H 8.292 9.525 1.850 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . c30342_6aza 1 . 19 . 4903 . 1 1 12 PRO HD2 H 11.157 11.066 -0.255 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . c30342_6aza 1 . 19 . 4904 . 1 1 12 PRO HD3 H 11.100 9.688 0.864 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . c30342_6aza 1 . 19 . 4905 . 1 1 12 PRO HG2 H 9.340 12.094 0.722 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . c30342_6aza 1 . 19 . 4906 . 1 1 12 PRO HG3 H 9.896 11.184 2.140 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . c30342_6aza 1 . 19 . 4907 . 1 1 12 PRO N N 9.657 9.636 -0.681 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . c30342_6aza 1 . 19 . 4908 . 1 1 12 PRO O O 7.865 11.567 -1.729 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . c30342_6aza 1 . 19 . 4909 . 1 1 13 LYS C C 4.649 12.004 -1.674 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c30342_6aza 1 . 19 . 4910 . 1 1 13 LYS CA C 5.281 10.816 -2.392 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c30342_6aza 1 . 19 . 4911 . 1 1 13 LYS CB C 4.187 9.882 -2.914 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c30342_6aza 1 . 19 . 4912 . 1 1 13 LYS CD C 3.876 7.968 -4.511 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c30342_6aza 1 . 19 . 4913 . 1 1 13 LYS CE C 3.693 7.641 -5.985 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c30342_6aza 1 . 19 . 4914 . 1 1 13 LYS CG C 4.453 9.358 -4.316 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c30342_6aza 1 . 19 . 4915 . 1 1 13 LYS H H 5.875 9.259 -1.086 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c30342_6aza 1 . 19 . 4916 . 1 1 13 LYS HA H 5.860 11.180 -3.226 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c30342_6aza 1 . 19 . 4917 . 1 1 13 LYS HB2 H 4.103 9.037 -2.248 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c30342_6aza 1 . 19 . 4918 . 1 1 13 LYS HB3 H 3.249 10.416 -2.924 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c30342_6aza 1 . 19 . 4919 . 1 1 13 LYS HD2 H 4.548 7.244 -4.075 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c30342_6aza 1 . 19 . 4920 . 1 1 13 LYS HD3 H 2.915 7.913 -4.017 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c30342_6aza 1 . 19 . 4921 . 1 1 13 LYS HE2 H 3.352 8.528 -6.497 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c30342_6aza 1 . 19 . 4922 . 1 1 13 LYS HE3 H 4.645 7.334 -6.393 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c30342_6aza 1 . 19 . 4923 . 1 1 13 LYS HG2 H 4.000 10.028 -5.032 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c30342_6aza 1 . 19 . 4924 . 1 1 13 LYS HG3 H 5.521 9.323 -4.480 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c30342_6aza 1 . 19 . 4925 . 1 1 13 LYS HZ1 H 3.063 5.659 -5.799 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 19 . 4926 . 1 1 13 LYS HZ2 H 2.522 6.418 -7.209 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 19 . 4927 . 1 1 13 LYS HZ3 H 1.805 6.786 -5.721 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 19 . 4928 . 1 1 13 LYS N N 6.182 10.091 -1.502 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c30342_6aza 1 . 19 . 4929 . 1 1 13 LYS NZ N 2.702 6.549 -6.193 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c30342_6aza 1 . 19 . 4930 . 1 1 13 LYS O O 4.569 12.048 -0.447 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c30342_6aza 1 . 19 . 4931 . 1 1 14 PRO C C 2.184 13.908 -1.307 . . . 1.0 . . . . . . . . . . . . A . 14 PRO C . . . . . . . . . c30342_6aza 1 . 19 . 4932 . 1 1 14 PRO CA C 3.551 14.197 -1.918 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CA . . . . . . . . . c30342_6aza 1 . 19 . 4933 . 1 1 14 PRO CB C 3.409 15.102 -3.144 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CB . . . . . . . . . c30342_6aza 1 . 19 . 4934 . 1 1 14 PRO CD C 4.249 13.006 -3.928 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CD . . . . . . . . . c30342_6aza 1 . 19 . 4935 . 1 1 14 PRO CG C 3.370 14.166 -4.301 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CG . . . . . . . . . c30342_6aza 1 . 19 . 4936 . 1 1 14 PRO HA H 4.178 14.680 -1.181 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HA . . . . . . . . . c30342_6aza 1 . 19 . 4937 . 1 1 14 PRO HB2 H 2.497 15.677 -3.068 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB2 . . . . . . . . . c30342_6aza 1 . 19 . 4938 . 1 1 14 PRO HB3 H 4.257 15.769 -3.204 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB3 . . . . . . . . . c30342_6aza 1 . 19 . 4939 . 1 1 14 PRO HD2 H 3.858 12.086 -4.339 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD2 . . . . . . . . . c30342_6aza 1 . 19 . 4940 . 1 1 14 PRO HD3 H 5.260 13.173 -4.268 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD3 . . . . . . . . . c30342_6aza 1 . 19 . 4941 . 1 1 14 PRO HG2 H 2.357 13.830 -4.469 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG2 . . . . . . . . . c30342_6aza 1 . 19 . 4942 . 1 1 14 PRO HG3 H 3.753 14.657 -5.184 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG3 . . . . . . . . . c30342_6aza 1 . 19 . 4943 . 1 1 14 PRO N N 4.186 12.991 -2.456 . . . 1.0 . . . . . . . . . . . . A . 14 PRO N . . . . . . . . . c30342_6aza 1 . 19 . 4944 . 1 1 14 PRO O O 1.785 14.540 -0.330 . . . 1.0 . . . . . . . . . . . . A . 14 PRO O . . . . . . . . . c30342_6aza 1 . 19 . 4945 . 1 1 15 ASN C C 0.239 11.425 -0.409 . . . 1.0 . . . . . . . . . . . . A . 15 ASN C . . . . . . . . . c30342_6aza 1 . 19 . 4946 . 1 1 15 ASN CA C 0.147 12.578 -1.403 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CA . . . . . . . . . c30342_6aza 1 . 19 . 4947 . 1 1 15 ASN CB C -0.758 12.188 -2.573 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CB . . . . . . . . . c30342_6aza 1 . 19 . 4948 . 1 1 15 ASN CG C -0.923 13.313 -3.578 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CG . . . . . . . . . c30342_6aza 1 . 19 . 4949 . 1 1 15 ASN H H 1.843 12.482 -2.668 . . . 1.0 . . . . . . . . . . . . A . 15 ASN H . . . . . . . . . c30342_6aza 1 . 19 . 4950 . 1 1 15 ASN HA H -0.275 13.438 -0.905 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HA . . . . . . . . . c30342_6aza 1 . 19 . 4951 . 1 1 15 ASN HB2 H -0.330 11.337 -3.083 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB2 . . . . . . . . . c30342_6aza 1 . 19 . 4952 . 1 1 15 ASN HB3 H -1.734 11.922 -2.194 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB3 . . . . . . . . . c30342_6aza 1 . 19 . 4953 . 1 1 15 ASN HD21 H -0.415 12.094 -5.065 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD21 . . . . . . . . . c30342_6aza 1 . 19 . 4954 . 1 1 15 ASN HD22 H -0.783 13.720 -5.518 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD22 . . . . . . . . . c30342_6aza 1 . 19 . 4955 . 1 1 15 ASN N N 1.472 12.951 -1.890 . . . 1.0 . . . . . . . . . . . . A . 15 ASN N . . . . . . . . . c30342_6aza 1 . 19 . 4956 . 1 1 15 ASN ND2 N -0.683 13.012 -4.848 . . . 1.0 . . . . . . . . . . . . A . 15 ASN ND2 . . . . . . . . . c30342_6aza 1 . 19 . 4957 . 1 1 15 ASN O O -0.601 11.292 0.482 . . . 1.0 . . . . . . . . . . . . A . 15 ASN O . . . . . . . . . c30342_6aza 1 . 19 . 4958 . 1 1 15 ASN OD1 O -1.264 14.439 -3.213 . . . 1.0 . . . . . . . . . . . . A . 15 ASN OD1 . . . . . . . . . c30342_6aza 1 . 19 . 4959 . 1 1 16 CYS C C 2.738 9.620 1.141 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c30342_6aza 1 . 19 . 4960 . 1 1 16 CYS CA C 1.464 9.451 0.315 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c30342_6aza 1 . 19 . 4961 . 1 1 16 CYS CB C 1.539 8.158 -0.498 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c30342_6aza 1 . 19 . 4962 . 1 1 16 CYS H H 1.899 10.752 -1.296 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c30342_6aza 1 . 19 . 4963 . 1 1 16 CYS HA H 0.621 9.397 0.986 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c30342_6aza 1 . 19 . 4964 . 1 1 16 CYS HB2 H 0.902 8.250 -1.366 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c30342_6aza 1 . 19 . 4965 . 1 1 16 CYS HB3 H 2.558 8.004 -0.821 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c30342_6aza 1 . 19 . 4966 . 1 1 16 CYS N N 1.263 10.593 -0.568 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c30342_6aza 1 . 19 . 4967 . 1 1 16 CYS O O 3.564 8.713 1.218 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c30342_6aza 1 . 19 . 4968 . 1 1 16 CYS SG S 1.015 6.672 0.417 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c30342_6aza 1 . 19 . 4969 . 1 1 17 GLY C C 3.759 11.025 4.052 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c30342_6aza 1 . 19 . 4970 . 1 1 17 GLY CA C 4.061 11.057 2.567 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c30342_6aza 1 . 19 . 4971 . 1 1 17 GLY H H 2.195 11.476 1.657 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c30342_6aza 1 . 19 . 4972 . 1 1 17 GLY HA2 H 4.813 10.313 2.347 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c30342_6aza 1 . 19 . 4973 . 1 1 17 GLY HA3 H 4.447 12.032 2.309 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c30342_6aza 1 . 19 . 4974 . 1 1 17 GLY N N 2.886 10.790 1.756 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c30342_6aza 1 . 19 . 4975 . 1 1 17 GLY O O 2.602 10.904 4.453 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c30342_6aza 1 . 19 . 4976 . 1 1 18 NH2 HN1 H 5.699 11.228 4.487 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . c30342_6aza 1 . 19 . 4977 . 1 1 18 NH2 HN2 H 4.690 11.122 5.862 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . c30342_6aza 1 . 19 . 4978 . 1 1 18 NH2 N N 4.802 11.134 4.869 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . c30342_6aza 1 . 20 . 4979 . 1 1 1 ARG C C 1.065 2.053 -0.586 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30342_6aza 1 . 20 . 4980 . 1 1 1 ARG CA C 0.888 0.864 0.355 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30342_6aza 1 . 20 . 4981 . 1 1 1 ARG CB C -0.214 -0.056 -0.174 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30342_6aza 1 . 20 . 4982 . 1 1 1 ARG CD C -0.832 -1.635 1.683 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30342_6aza 1 . 20 . 4983 . 1 1 1 ARG CG C -0.119 -1.481 0.349 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30342_6aza 1 . 20 . 4984 . 1 1 1 ARG CZ C -2.249 -3.602 1.278 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30342_6aza 1 . 20 . 4985 . 1 1 1 ARG H1 H 0.681 0.690 2.454 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30342_6aza 1 . 20 . 4986 . 1 1 1 ARG HA H 1.815 0.313 0.399 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30342_6aza 1 . 20 . 4987 . 1 1 1 ARG HB2 H -1.172 0.346 0.116 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30342_6aza 1 . 20 . 4988 . 1 1 1 ARG HB3 H -0.155 -0.086 -1.251 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30342_6aza 1 . 20 . 4989 . 1 1 1 ARG HD2 H -0.161 -1.328 2.472 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30342_6aza 1 . 20 . 4990 . 1 1 1 ARG HD3 H -1.703 -0.998 1.686 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30342_6aza 1 . 20 . 4991 . 1 1 1 ARG HE H -0.761 -3.522 2.604 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30342_6aza 1 . 20 . 4992 . 1 1 1 ARG HG2 H -0.575 -2.149 -0.368 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30342_6aza 1 . 20 . 4993 . 1 1 1 ARG HG3 H 0.922 -1.740 0.474 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30342_6aza 1 . 20 . 4994 . 1 1 1 ARG HH11 H -2.688 -1.989 0.143 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30342_6aza 1 . 20 . 4995 . 1 1 1 ARG HH12 H -3.680 -3.382 -0.133 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30342_6aza 1 . 20 . 4996 . 1 1 1 ARG HH21 H -2.060 -5.363 2.250 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30342_6aza 1 . 20 . 4997 . 1 1 1 ARG HH22 H -3.322 -5.301 1.066 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30342_6aza 1 . 20 . 4998 . 1 1 1 ARG N N 0.569 1.313 1.706 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30342_6aza 1 . 20 . 4999 . 1 1 1 ARG NE N -1.251 -3.012 1.925 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30342_6aza 1 . 20 . 5000 . 1 1 1 ARG NH1 N -2.929 -2.936 0.354 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30342_6aza 1 . 20 . 5001 . 1 1 1 ARG NH2 N -2.570 -4.859 1.554 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30342_6aza 1 . 20 . 5002 . 1 1 1 ARG O O 0.671 2.001 -1.751 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30342_6aza 1 . 20 . 5003 . 1 1 2 CYS C C 3.385 4.596 -1.021 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c30342_6aza 1 . 20 . 5004 . 1 1 2 CYS CA C 1.892 4.325 -0.863 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c30342_6aza 1 . 20 . 5005 . 1 1 2 CYS CB C 1.212 5.529 -0.209 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c30342_6aza 1 . 20 . 5006 . 1 1 2 CYS H H 1.956 3.105 0.865 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c30342_6aza 1 . 20 . 5007 . 1 1 2 CYS HA H 1.463 4.167 -1.839 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c30342_6aza 1 . 20 . 5008 . 1 1 2 CYS HB2 H 1.510 6.428 -0.729 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c30342_6aza 1 . 20 . 5009 . 1 1 2 CYS HB3 H 0.140 5.414 -0.287 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c30342_6aza 1 . 20 . 5010 . 1 1 2 CYS N N 1.663 3.123 -0.071 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c30342_6aza 1 . 20 . 5011 . 1 1 2 CYS O O 3.899 5.607 -0.544 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c30342_6aza 1 . 20 . 5012 . 1 1 2 CYS SG S 1.620 5.749 1.553 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c30342_6aza 1 . 20 . 5013 . 1 1 3 LYS C C 5.835 3.803 -3.408 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . c30342_6aza 1 . 20 . 5014 . 1 1 3 LYS CA C 5.512 3.822 -1.918 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . c30342_6aza 1 . 20 . 5015 . 1 1 3 LYS CB C 6.271 2.698 -1.207 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . c30342_6aza 1 . 20 . 5016 . 1 1 3 LYS CD C 7.242 2.041 1.014 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . c30342_6aza 1 . 20 . 5017 . 1 1 3 LYS CE C 6.897 1.696 2.455 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . c30342_6aza 1 . 20 . 5018 . 1 1 3 LYS CG C 6.066 2.683 0.297 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . c30342_6aza 1 . 20 . 5019 . 1 1 3 LYS H H 3.612 2.898 -2.051 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . c30342_6aza 1 . 20 . 5020 . 1 1 3 LYS HA H 5.823 4.770 -1.506 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . c30342_6aza 1 . 20 . 5021 . 1 1 3 LYS HB2 H 5.939 1.749 -1.605 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . c30342_6aza 1 . 20 . 5022 . 1 1 3 LYS HB3 H 7.327 2.812 -1.406 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . c30342_6aza 1 . 20 . 5023 . 1 1 3 LYS HD2 H 7.517 1.133 0.495 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . c30342_6aza 1 . 20 . 5024 . 1 1 3 LYS HD3 H 8.077 2.728 1.007 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . c30342_6aza 1 . 20 . 5025 . 1 1 3 LYS HE2 H 5.890 1.308 2.488 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . c30342_6aza 1 . 20 . 5026 . 1 1 3 LYS HE3 H 7.585 0.940 2.805 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . c30342_6aza 1 . 20 . 5027 . 1 1 3 LYS HG2 H 5.958 3.698 0.648 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . c30342_6aza 1 . 20 . 5028 . 1 1 3 LYS HG3 H 5.169 2.124 0.524 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . c30342_6aza 1 . 20 . 5029 . 1 1 3 LYS HZ1 H 6.190 2.892 4.013 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 20 . 5030 . 1 1 3 LYS HZ2 H 6.959 3.757 2.781 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 20 . 5031 . 1 1 3 LYS HZ3 H 7.876 2.862 3.884 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 20 . 5032 . 1 1 3 LYS N N 4.078 3.682 -1.694 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . c30342_6aza 1 . 20 . 5033 . 1 1 3 LYS NZ N 6.987 2.885 3.345 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . c30342_6aza 1 . 20 . 5034 . 1 1 3 LYS O O 5.396 2.915 -4.139 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . c30342_6aza 1 . 20 . 5035 . 1 1 4 THR C C 8.485 5.131 -5.405 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30342_6aza 1 . 20 . 5036 . 1 1 4 THR CA C 6.988 4.888 -5.258 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30342_6aza 1 . 20 . 5037 . 1 1 4 THR CB C 6.223 6.017 -5.971 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30342_6aza 1 . 20 . 5038 . 1 1 4 THR CG2 C 6.631 6.108 -7.434 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30342_6aza 1 . 20 . 5039 . 1 1 4 THR H H 6.926 5.468 -3.224 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30342_6aza 1 . 20 . 5040 . 1 1 4 THR HA H 6.737 3.953 -5.737 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30342_6aza 1 . 20 . 5041 . 1 1 4 THR HB H 6.461 6.954 -5.488 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30342_6aza 1 . 20 . 5042 . 1 1 4 THR HG1 H 4.517 5.291 -6.643 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30342_6aza 1 . 20 . 5043 . 1 1 4 THR HG21 H 7.643 6.480 -7.503 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30342_6aza 1 . 20 . 5044 . 1 1 4 THR HG22 H 5.964 6.780 -7.952 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30342_6aza 1 . 20 . 5045 . 1 1 4 THR HG23 H 6.575 5.128 -7.884 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30342_6aza 1 . 20 . 5046 . 1 1 4 THR N N 6.607 4.791 -3.855 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30342_6aza 1 . 20 . 5047 . 1 1 4 THR O O 9.095 5.822 -4.588 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30342_6aza 1 . 20 . 5048 . 1 1 4 THR OG1 O 4.813 5.790 -5.877 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30342_6aza 1 . 20 . 5049 . 1 1 5 CYS C C 10.750 5.186 -8.136 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30342_6aza 1 . 20 . 5050 . 1 1 5 CYS CA C 10.501 4.716 -6.705 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30342_6aza 1 . 20 . 5051 . 1 1 5 CYS CB C 11.231 3.395 -6.456 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30342_6aza 1 . 20 . 5052 . 1 1 5 CYS H H 8.534 4.020 -7.067 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30342_6aza 1 . 20 . 5053 . 1 1 5 CYS HA H 10.880 5.462 -6.024 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30342_6aza 1 . 20 . 5054 . 1 1 5 CYS HB2 H 10.536 2.578 -6.582 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30342_6aza 1 . 20 . 5055 . 1 1 5 CYS HB3 H 12.031 3.294 -7.174 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30342_6aza 1 . 20 . 5056 . 1 1 5 CYS N N 9.073 4.560 -6.450 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30342_6aza 1 . 20 . 5057 . 1 1 5 CYS O O 10.342 4.531 -9.095 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30342_6aza 1 . 20 . 5058 . 1 1 5 CYS SG S 11.959 3.251 -4.792 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30342_6aza 1 . 20 . 5059 . 1 1 6 SER C C 12.992 6.265 -10.159 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . c30342_6aza 1 . 20 . 5060 . 1 1 6 SER CA C 11.723 6.884 -9.583 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . c30342_6aza 1 . 20 . 5061 . 1 1 6 SER CB C 11.880 8.403 -9.489 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . c30342_6aza 1 . 20 . 5062 . 1 1 6 SER H H 11.720 6.800 -7.467 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . c30342_6aza 1 . 20 . 5063 . 1 1 6 SER HA H 10.896 6.656 -10.239 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . c30342_6aza 1 . 20 . 5064 . 1 1 6 SER HB2 H 11.274 8.776 -8.677 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . c30342_6aza 1 . 20 . 5065 . 1 1 6 SER HB3 H 12.917 8.644 -9.305 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . c30342_6aza 1 . 20 . 5066 . 1 1 6 SER HG H 12.094 9.729 -10.916 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . c30342_6aza 1 . 20 . 5067 . 1 1 6 SER N N 11.423 6.324 -8.271 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . c30342_6aza 1 . 20 . 5068 . 1 1 6 SER O O 13.716 5.545 -9.470 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . c30342_6aza 1 . 20 . 5069 . 1 1 6 SER OG O 11.472 9.033 -10.690 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . c30342_6aza 1 . 20 . 5070 . 1 1 7 LYS C C 15.713 6.619 -11.509 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c30342_6aza 1 . 20 . 5071 . 1 1 7 LYS CA C 14.440 6.023 -12.103 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c30342_6aza 1 . 20 . 5072 . 1 1 7 LYS CB C 14.374 6.321 -13.601 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c30342_6aza 1 . 20 . 5073 . 1 1 7 LYS CD C 13.049 4.322 -14.352 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c30342_6aza 1 . 20 . 5074 . 1 1 7 LYS CE C 11.805 3.845 -15.083 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c30342_6aza 1 . 20 . 5075 . 1 1 7 LYS CG C 13.095 5.839 -14.262 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c30342_6aza 1 . 20 . 5076 . 1 1 7 LYS H H 12.643 7.129 -11.928 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c30342_6aza 1 . 20 . 5077 . 1 1 7 LYS HA H 14.455 4.954 -11.956 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c30342_6aza 1 . 20 . 5078 . 1 1 7 LYS HB2 H 14.452 7.388 -13.749 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c30342_6aza 1 . 20 . 5079 . 1 1 7 LYS HB3 H 15.210 5.839 -14.089 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c30342_6aza 1 . 20 . 5080 . 1 1 7 LYS HD2 H 13.922 3.976 -14.886 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c30342_6aza 1 . 20 . 5081 . 1 1 7 LYS HD3 H 13.050 3.912 -13.353 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c30342_6aza 1 . 20 . 5082 . 1 1 7 LYS HE2 H 11.547 4.569 -15.841 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c30342_6aza 1 . 20 . 5083 . 1 1 7 LYS HE3 H 12.021 2.896 -15.552 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c30342_6aza 1 . 20 . 5084 . 1 1 7 LYS HG2 H 12.250 6.180 -13.681 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c30342_6aza 1 . 20 . 5085 . 1 1 7 LYS HG3 H 13.038 6.253 -15.260 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c30342_6aza 1 . 20 . 5086 . 1 1 7 LYS HZ1 H 9.759 3.669 -14.699 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 20 . 5087 . 1 1 7 LYS HZ2 H 10.619 4.461 -13.478 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 20 . 5088 . 1 1 7 LYS HZ3 H 10.734 2.782 -13.638 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 20 . 5089 . 1 1 7 LYS N N 13.258 6.550 -11.430 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c30342_6aza 1 . 20 . 5090 . 1 1 7 LYS NZ N 10.649 3.677 -14.160 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c30342_6aza 1 . 20 . 5091 . 1 1 7 LYS O O 16.111 7.729 -11.858 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c30342_6aza 1 . 20 . 5092 . 1 1 8 GLY C C 17.334 6.894 -8.596 . . . 1.0 . . . . . . . . . . . . A . 8 GLY C . . . . . . . . . c30342_6aza 1 . 20 . 5093 . 1 1 8 GLY CA C 17.571 6.341 -9.986 . . . 1.0 . . . . . . . . . . . . A . 8 GLY CA . . . . . . . . . c30342_6aza 1 . 20 . 5094 . 1 1 8 GLY H H 15.985 4.993 -10.372 . . . 1.0 . . . . . . . . . . . . A . 8 GLY H . . . . . . . . . c30342_6aza 1 . 20 . 5095 . 1 1 8 GLY HA2 H 18.269 5.521 -9.923 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA2 . . . . . . . . . c30342_6aza 1 . 20 . 5096 . 1 1 8 GLY HA3 H 18.000 7.119 -10.602 . . . 1.0 . . . . . . . . . . . . A . 8 GLY HA3 . . . . . . . . . c30342_6aza 1 . 20 . 5097 . 1 1 8 GLY N N 16.349 5.871 -10.612 . . . 1.0 . . . . . . . . . . . . A . 8 GLY N . . . . . . . . . c30342_6aza 1 . 20 . 5098 . 1 1 8 GLY O O 18.231 6.872 -7.751 . . . 1.0 . . . . . . . . . . . . A . 8 GLY O . . . . . . . . . c30342_6aza 1 . 20 . 5099 . 1 1 9 ARG C C 14.682 7.135 -6.384 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c30342_6aza 1 . 20 . 5100 . 1 1 9 ARG CA C 15.777 7.957 -7.058 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c30342_6aza 1 . 20 . 5101 . 1 1 9 ARG CB C 15.316 9.407 -7.215 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c30342_6aza 1 . 20 . 5102 . 1 1 9 ARG CD C 15.928 11.683 -8.090 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c30342_6aza 1 . 20 . 5103 . 1 1 9 ARG CG C 16.448 10.379 -7.500 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c30342_6aza 1 . 20 . 5104 . 1 1 9 ARG CZ C 15.999 11.219 -10.504 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c30342_6aza 1 . 20 . 5105 . 1 1 9 ARG H H 15.455 7.383 -9.069 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c30342_6aza 1 . 20 . 5106 . 1 1 9 ARG HA H 16.660 7.935 -6.436 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c30342_6aza 1 . 20 . 5107 . 1 1 9 ARG HB2 H 14.609 9.461 -8.032 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c30342_6aza 1 . 20 . 5108 . 1 1 9 ARG HB3 H 14.824 9.717 -6.305 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c30342_6aza 1 . 20 . 5109 . 1 1 9 ARG HD2 H 15.195 12.099 -7.417 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c30342_6aza 1 . 20 . 5110 . 1 1 9 ARG HD3 H 16.755 12.370 -8.193 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c30342_6aza 1 . 20 . 5111 . 1 1 9 ARG HE H 14.335 11.549 -9.455 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c30342_6aza 1 . 20 . 5112 . 1 1 9 ARG HG2 H 16.965 10.596 -6.578 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c30342_6aza 1 . 20 . 5113 . 1 1 9 ARG HG3 H 17.132 9.924 -8.202 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c30342_6aza 1 . 20 . 5114 . 1 1 9 ARG HH11 H 17.801 11.247 -9.590 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c30342_6aza 1 . 20 . 5115 . 1 1 9 ARG HH12 H 17.837 10.922 -11.291 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c30342_6aza 1 . 20 . 5116 . 1 1 9 ARG HH21 H 14.370 11.122 -11.695 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c30342_6aza 1 . 20 . 5117 . 1 1 9 ARG HH22 H 15.886 10.852 -12.488 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c30342_6aza 1 . 20 . 5118 . 1 1 9 ARG N N 16.126 7.393 -8.355 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c30342_6aza 1 . 20 . 5119 . 1 1 9 ARG NE N 15.311 11.483 -9.398 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c30342_6aza 1 . 20 . 5120 . 1 1 9 ARG NH1 N 17.321 11.122 -10.458 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c30342_6aza 1 . 20 . 5121 . 1 1 9 ARG NH2 N 15.367 11.049 -11.657 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c30342_6aza 1 . 20 . 5122 . 1 1 9 ARG O O 13.878 6.485 -7.054 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c30342_6aza 1 . 20 . 5123 . 1 1 10 CYS C C 13.174 7.238 -3.099 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30342_6aza 1 . 20 . 5124 . 1 1 10 CYS CA C 13.664 6.422 -4.291 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30342_6aza 1 . 20 . 5125 . 1 1 10 CYS CB C 14.250 5.093 -3.810 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30342_6aza 1 . 20 . 5126 . 1 1 10 CYS H H 15.325 7.702 -4.577 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30342_6aza 1 . 20 . 5127 . 1 1 10 CYS HA H 12.827 6.222 -4.943 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30342_6aza 1 . 20 . 5128 . 1 1 10 CYS HB2 H 15.323 5.191 -3.727 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30342_6aza 1 . 20 . 5129 . 1 1 10 CYS HB3 H 13.840 4.859 -2.838 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30342_6aza 1 . 20 . 5130 . 1 1 10 CYS N N 14.658 7.165 -5.056 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30342_6aza 1 . 20 . 5131 . 1 1 10 CYS O O 13.913 7.456 -2.138 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30342_6aza 1 . 20 . 5132 . 1 1 10 CYS SG S 13.907 3.686 -4.913 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30342_6aza 1 . 20 . 5133 . 1 1 11 ARG C C 9.819 8.326 -2.075 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . c30342_6aza 1 . 20 . 5134 . 1 1 11 ARG CA C 11.338 8.477 -2.093 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . c30342_6aza 1 . 20 . 5135 . 1 1 11 ARG CB C 11.711 9.951 -2.255 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . c30342_6aza 1 . 20 . 5136 . 1 1 11 ARG CD C 13.168 11.830 -1.438 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . c30342_6aza 1 . 20 . 5137 . 1 1 11 ARG CG C 13.024 10.323 -1.582 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . c30342_6aza 1 . 20 . 5138 . 1 1 11 ARG CZ C 12.864 13.532 0.310 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . c30342_6aza 1 . 20 . 5139 . 1 1 11 ARG H H 11.386 7.479 -3.959 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . c30342_6aza 1 . 20 . 5140 . 1 1 11 ARG HA H 11.734 8.114 -1.158 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . c30342_6aza 1 . 20 . 5141 . 1 1 11 ARG HB2 H 11.797 10.177 -3.307 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . c30342_6aza 1 . 20 . 5142 . 1 1 11 ARG HB3 H 10.928 10.559 -1.826 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . c30342_6aza 1 . 20 . 5143 . 1 1 11 ARG HD2 H 14.215 12.088 -1.506 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . c30342_6aza 1 . 20 . 5144 . 1 1 11 ARG HD3 H 12.627 12.309 -2.240 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . c30342_6aza 1 . 20 . 5145 . 1 1 11 ARG HE H 12.104 11.689 0.370 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . c30342_6aza 1 . 20 . 5146 . 1 1 11 ARG HG2 H 13.054 9.874 -0.601 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . c30342_6aza 1 . 20 . 5147 . 1 1 11 ARG HG3 H 13.841 9.948 -2.178 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . c30342_6aza 1 . 20 . 5148 . 1 1 11 ARG HH11 H 13.976 14.125 -1.269 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . c30342_6aza 1 . 20 . 5149 . 1 1 11 ARG HH12 H 13.754 15.314 -0.030 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . c30342_6aza 1 . 20 . 5150 . 1 1 11 ARG HH21 H 11.805 13.248 2.008 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . c30342_6aza 1 . 20 . 5151 . 1 1 11 ARG HH22 H 12.519 14.815 1.834 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . c30342_6aza 1 . 20 . 5152 . 1 1 11 ARG N N 11.925 7.685 -3.167 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . c30342_6aza 1 . 20 . 5153 . 1 1 11 ARG NE N 12.644 12.311 -0.161 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . c30342_6aza 1 . 20 . 5154 . 1 1 11 ARG NH1 N 13.591 14.394 -0.387 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . c30342_6aza 1 . 20 . 5155 . 1 1 11 ARG NH2 N 12.354 13.895 1.480 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . c30342_6aza 1 . 20 . 5156 . 1 1 11 ARG O O 9.199 7.923 -3.060 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . c30342_6aza 1 . 20 . 5157 . 1 1 12 PRO C C 7.003 9.614 -1.573 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . c30342_6aza 1 . 20 . 5158 . 1 1 12 PRO CA C 7.751 8.567 -0.756 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . c30342_6aza 1 . 20 . 5159 . 1 1 12 PRO CB C 7.558 8.819 0.741 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . c30342_6aza 1 . 20 . 5160 . 1 1 12 PRO CD C 9.880 9.145 0.284 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . c30342_6aza 1 . 20 . 5161 . 1 1 12 PRO CG C 8.746 9.620 1.147 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . c30342_6aza 1 . 20 . 5162 . 1 1 12 PRO HA H 7.383 7.584 -1.008 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . c30342_6aza 1 . 20 . 5163 . 1 1 12 PRO HB2 H 6.638 9.365 0.901 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . c30342_6aza 1 . 20 . 5164 . 1 1 12 PRO HB3 H 7.519 7.876 1.266 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . c30342_6aza 1 . 20 . 5165 . 1 1 12 PRO HD2 H 10.546 9.963 0.052 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . c30342_6aza 1 . 20 . 5166 . 1 1 12 PRO HD3 H 10.418 8.347 0.773 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . c30342_6aza 1 . 20 . 5167 . 1 1 12 PRO HG2 H 8.556 10.669 0.976 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . c30342_6aza 1 . 20 . 5168 . 1 1 12 PRO HG3 H 8.968 9.443 2.190 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . c30342_6aza 1 . 20 . 5169 . 1 1 12 PRO N N 9.204 8.657 -0.930 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . c30342_6aza 1 . 20 . 5170 . 1 1 12 PRO O O 7.449 10.755 -1.697 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . c30342_6aza 1 . 20 . 5171 . 1 1 13 LYS C C 4.647 11.354 -2.133 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c30342_6aza 1 . 20 . 5172 . 1 1 13 LYS CA C 5.052 10.124 -2.938 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c30342_6aza 1 . 20 . 5173 . 1 1 13 LYS CB C 3.803 9.402 -3.448 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c30342_6aza 1 . 20 . 5174 . 1 1 13 LYS CD C 1.607 8.424 -2.720 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c30342_6aza 1 . 20 . 5175 . 1 1 13 LYS CE C 1.430 7.468 -3.890 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c30342_6aza 1 . 20 . 5176 . 1 1 13 LYS CG C 3.073 8.615 -2.374 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c30342_6aza 1 . 20 . 5177 . 1 1 13 LYS H H 5.561 8.296 -1.997 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c30342_6aza 1 . 20 . 5178 . 1 1 13 LYS HA H 5.646 10.439 -3.782 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c30342_6aza 1 . 20 . 5179 . 1 1 13 LYS HB2 H 3.120 10.134 -3.854 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c30342_6aza 1 . 20 . 5180 . 1 1 13 LYS HB3 H 4.093 8.718 -4.233 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c30342_6aza 1 . 20 . 5181 . 1 1 13 LYS HD2 H 1.092 8.022 -1.861 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c30342_6aza 1 . 20 . 5182 . 1 1 13 LYS HD3 H 1.181 9.382 -2.983 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c30342_6aza 1 . 20 . 5183 . 1 1 13 LYS HE2 H 0.435 7.588 -4.290 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c30342_6aza 1 . 20 . 5184 . 1 1 13 LYS HE3 H 2.155 7.712 -4.650 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c30342_6aza 1 . 20 . 5185 . 1 1 13 LYS HG2 H 3.537 7.644 -2.274 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c30342_6aza 1 . 20 . 5186 . 1 1 13 LYS HG3 H 3.146 9.147 -1.437 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c30342_6aza 1 . 20 . 5187 . 1 1 13 LYS HZ1 H 2.528 5.937 -2.987 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c30342_6aza 1 . 20 . 5188 . 1 1 13 LYS HZ2 H 1.612 5.430 -4.315 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c30342_6aza 1 . 20 . 5189 . 1 1 13 LYS HZ3 H 0.852 5.757 -2.839 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c30342_6aza 1 . 20 . 5190 . 1 1 13 LYS N N 5.864 9.220 -2.132 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c30342_6aza 1 . 20 . 5191 . 1 1 13 LYS NZ N 1.618 6.048 -3.479 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c30342_6aza 1 . 20 . 5192 . 1 1 13 LYS O O 4.603 11.333 -0.902 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c30342_6aza 1 . 20 . 5193 . 1 1 14 PRO C C 2.555 13.622 -1.576 . . . 1.0 . . . . . . . . . . . . A . 14 PRO C . . . . . . . . . c30342_6aza 1 . 20 . 5194 . 1 1 14 PRO CA C 3.937 13.712 -2.213 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CA . . . . . . . . . c30342_6aza 1 . 20 . 5195 . 1 1 14 PRO CB C 3.926 14.703 -3.378 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CB . . . . . . . . . c30342_6aza 1 . 20 . 5196 . 1 1 14 PRO CD C 4.378 12.549 -4.310 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CD . . . . . . . . . c30342_6aza 1 . 20 . 5197 . 1 1 14 PRO CG C 3.702 13.863 -4.588 . . . 1.0 . . . . . . . . . . . . A . 14 PRO CG . . . . . . . . . c30342_6aza 1 . 20 . 5198 . 1 1 14 PRO HA H 4.653 14.035 -1.470 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HA . . . . . . . . . c30342_6aza 1 . 20 . 5199 . 1 1 14 PRO HB2 H 3.127 15.418 -3.239 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB2 . . . . . . . . . c30342_6aza 1 . 20 . 5200 . 1 1 14 PRO HB3 H 4.874 15.219 -3.427 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HB3 . . . . . . . . . c30342_6aza 1 . 20 . 5201 . 1 1 14 PRO HD2 H 3.826 11.738 -4.762 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD2 . . . . . . . . . c30342_6aza 1 . 20 . 5202 . 1 1 14 PRO HD3 H 5.396 12.563 -4.671 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HD3 . . . . . . . . . c30342_6aza 1 . 20 . 5203 . 1 1 14 PRO HG2 H 2.644 13.715 -4.741 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG2 . . . . . . . . . c30342_6aza 1 . 20 . 5204 . 1 1 14 PRO HG3 H 4.145 14.336 -5.451 . . . 1.0 . . . . . . . . . . . . A . 14 PRO HG3 . . . . . . . . . c30342_6aza 1 . 20 . 5205 . 1 1 14 PRO N N 4.345 12.453 -2.840 . . . 1.0 . . . . . . . . . . . . A . 14 PRO N . . . . . . . . . c30342_6aza 1 . 20 . 5206 . 1 1 14 PRO O O 2.285 14.262 -0.560 . . . 1.0 . . . . . . . . . . . . A . 14 PRO O . . . . . . . . . c30342_6aza 1 . 20 . 5207 . 1 1 15 ASN C C 0.330 11.859 -0.370 . . . 1.0 . . . . . . . . . . . . A . 15 ASN C . . . . . . . . . c30342_6aza 1 . 20 . 5208 . 1 1 15 ASN CA C 0.325 12.649 -1.675 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CA . . . . . . . . . c30342_6aza 1 . 20 . 5209 . 1 1 15 ASN CB C -0.543 11.937 -2.713 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CB . . . . . . . . . c30342_6aza 1 . 20 . 5210 . 1 1 15 ASN CG C -1.210 12.904 -3.672 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CG . . . . . . . . . c30342_6aza 1 . 20 . 5211 . 1 1 15 ASN H H 1.955 12.339 -2.989 . . . 1.0 . . . . . . . . . . . . A . 15 ASN H . . . . . . . . . c30342_6aza 1 . 20 . 5212 . 1 1 15 ASN HA H -0.086 13.631 -1.485 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HA . . . . . . . . . c30342_6aza 1 . 20 . 5213 . 1 1 15 ASN HB2 H 0.074 11.260 -3.286 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB2 . . . . . . . . . c30342_6aza 1 . 20 . 5214 . 1 1 15 ASN HB3 H -1.312 11.374 -2.207 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB3 . . . . . . . . . c30342_6aza 1 . 20 . 5215 . 1 1 15 ASN HD21 H -2.549 13.393 -2.286 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD21 . . . . . . . . . c30342_6aza 1 . 20 . 5216 . 1 1 15 ASN HD22 H -2.714 14.196 -3.807 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD22 . . . . . . . . . c30342_6aza 1 . 20 . 5217 . 1 1 15 ASN N N 1.681 12.823 -2.181 . . . 1.0 . . . . . . . . . . . . A . 15 ASN N . . . . . . . . . c30342_6aza 1 . 20 . 5218 . 1 1 15 ASN ND2 N -2.263 13.565 -3.208 . . . 1.0 . . . . . . . . . . . . A . 15 ASN ND2 . . . . . . . . . c30342_6aza 1 . 20 . 5219 . 1 1 15 ASN O O -0.551 12.027 0.474 . . . 1.0 . . . . . . . . . . . . A . 15 ASN O . . . . . . . . . c30342_6aza 1 . 20 . 5220 . 1 1 15 ASN OD1 O -0.780 13.056 -4.815 . . . 1.0 . . . . . . . . . . . . A . 15 ASN OD1 . . . . . . . . . c30342_6aza 1 . 20 . 5221 . 1 1 16 CYS C C 2.786 10.426 1.684 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c30342_6aza 1 . 20 . 5222 . 1 1 16 CYS CA C 1.449 10.180 0.991 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c30342_6aza 1 . 20 . 5223 . 1 1 16 CYS CB C 1.309 8.697 0.641 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c30342_6aza 1 . 20 . 5224 . 1 1 16 CYS H H 2.002 10.907 -0.919 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c30342_6aza 1 . 20 . 5225 . 1 1 16 CYS HA H 0.652 10.457 1.664 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c30342_6aza 1 . 20 . 5226 . 1 1 16 CYS HB2 H 0.472 8.570 -0.031 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c30342_6aza 1 . 20 . 5227 . 1 1 16 CYS HB3 H 2.211 8.364 0.148 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c30342_6aza 1 . 20 . 5228 . 1 1 16 CYS N N 1.327 10.997 -0.210 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c30342_6aza 1 . 20 . 5229 . 1 1 16 CYS O O 3.719 9.634 1.556 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c30342_6aza 1 . 20 . 5230 . 1 1 16 CYS SG S 1.031 7.614 2.079 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c30342_6aza 1 . 20 . 5231 . 1 1 17 GLY C C 3.945 11.770 4.628 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c30342_6aza 1 . 20 . 5232 . 1 1 17 GLY CA C 4.096 11.861 3.122 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c30342_6aza 1 . 20 . 5233 . 1 1 17 GLY H H 2.094 12.126 2.484 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c30342_6aza 1 . 20 . 5234 . 1 1 17 GLY HA2 H 4.874 11.183 2.807 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c30342_6aza 1 . 20 . 5235 . 1 1 17 GLY HA3 H 4.385 12.869 2.863 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c30342_6aza 1 . 20 . 5236 . 1 1 17 GLY N N 2.871 11.531 2.419 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c30342_6aza 1 . 20 . 5237 . 1 1 17 GLY O O 4.110 10.698 5.210 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c30342_6aza 1 . 20 . 5238 . 1 1 18 NH2 HN1 H 3.511 13.719 4.741 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . c30342_6aza 1 . 20 . 5239 . 1 1 18 NH2 HN2 H 3.510 12.923 6.251 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . c30342_6aza 1 . 20 . 5240 . 1 1 18 NH2 N N 3.630 12.895 5.259 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . c30342_6aza 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 c30342_6aza _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 6aza.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c30342_6aza 1 1 6aza.mr . . DYANA/DIANA 2 'dihedral angle' 'Not applicable' 'Not applicable' 150 c30342_6aza 1 1 6aza.mr . . DYANA/DIANA 3 distance NOE simple 66 c30342_6aza 1 1 6aza.mr . . DYANA/DIANA 4 distance 'general distance' simple 12 c30342_6aza 1 1 6aza.mr . . DYANA/DIANA 5 'dihedral angle' 'Not applicable' 'Not applicable' 23 c30342_6aza 1 1 6aza.mr . . 'MR format' 6 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c30342_6aza 1 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID c30342_6aza _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c30342_6aza 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 10 10 CYS HB2 H . . . 1 1 11 11 ARG H H . . . . . . . 5.50 . . . . . A . 10 CYS HB2 . . A . 11 ARG H . . . 10 CYSS HB2 . . . . . 11 ARG H . . c30342_6aza 1 2 1 . . 1 1 4 4 THR HB H . . . 1 1 5 5 CYS H H . . . . . . . 5.50 . . . . . A . 4 THR HB . . A . 5 CYS H . . . 4 THR HB . . . . . 5 CYSS H . . c30342_6aza 1 3 1 OR . 1 1 11 11 ARG H H . . . 1 1 11 11 ARG HD2 H . . . . . . . 5.50 . . . . . A . 11 ARG H . . A . 11 ARG HD2 . . . 11 ARG H . . . . . 11 ARG QD . . c30342_6aza 1 3 2 OR . 1 1 11 11 ARG H H . . . 1 1 11 11 ARG HD3 H . . . . . . . 5.50 . . . . . A . 11 ARG H . . A . 11 ARG HD3 . . . 11 ARG H . . . . . 11 ARG QD . . c30342_6aza 1 4 1 . . 1 1 11 11 ARG H H . . . 1 1 10 10 CYS HB3 H . . . . . . . 5.50 . . . . . A . 11 ARG H . . A . 10 CYS HB3 . . . 11 ARG H . . . . . 10 CYSS HB3 . . c30342_6aza 1 5 1 . . 1 1 5 5 CYS H H . . . 1 1 4 4 THR MG H . . . . . . . 5.50 . . . . . A . 5 CYS H . . A . 4 THR MG . . . 5 CYSS H . . . . . 4 THR QG2 . . c30342_6aza 1 6 1 OR . 1 1 11 11 ARG H H . . . 1 1 11 11 ARG HG2 H . . . . . . . 5.50 . . . . . A . 11 ARG H . . A . 11 ARG HG2 . . . 11 ARG H . . . . . 11 ARG QG . . c30342_6aza 1 6 2 OR . 1 1 11 11 ARG H H . . . 1 1 11 11 ARG HG3 H . . . . . . . 5.50 . . . . . A . 11 ARG H . . A . 11 ARG HG3 . . . 11 ARG H . . . . . 11 ARG QG . . c30342_6aza 1 7 1 . . 1 1 5 5 CYS H H . . . 1 1 4 4 THR H H . . . . . . . 5.50 . . . . . A . 5 CYS H . . A . 4 THR H . . . 5 CYSS H . . . . . 4 THR H . . c30342_6aza 1 8 1 . . 1 1 7 7 LYS H H . . . 1 1 8 8 GLY H H . . . . . . . 5.50 . . . . . A . 7 LYS H . . A . 8 GLY H . . . 7 LYS H . . . . . 8 GLY H . . c30342_6aza 1 9 1 . . 1 1 8 8 GLY H H . . . 1 1 9 9 ARG H H . . . . . . . 5.50 . . . . . A . 8 GLY H . . A . 9 ARG H . . . 8 GLY H . . . . . 9 ARG H . . c30342_6aza 1 10 1 . . 1 1 9 9 ARG H H . . . 1 1 6 6 SER H H . . . . . . . 5.50 . . . . . A . 9 ARG H . . A . 6 SER H . . . 9 ARG H . . . . . 6 SER H . . c30342_6aza 1 11 1 . . 1 1 9 9 ARG H H . . . 1 1 10 10 CYS H H . . . . . . . 5.50 . . . . . A . 9 ARG H . . A . 10 CYS H . . . 9 ARG H . . . . . 10 CYSS H . . c30342_6aza 1 12 1 . . 1 1 4 4 THR MG H . . . 1 1 4 4 THR H H . . . . . . . 5.50 . . . . . A . 4 THR MG . . A . 4 THR H . . . 4 THR QG2 . . . . . 4 THR H . . c30342_6aza 1 13 1 . . 1 1 8 8 GLY H H . . . 1 1 7 7 LYS HB3 H . . . . . . . 5.50 . . . . . A . 8 GLY H . . A . 7 LYS HB3 . . . 8 GLY H . . . . . 7 LYS HB3 . . c30342_6aza 1 14 1 . . 1 1 4 4 THR H H . . . 1 1 3 3 LYS HB2 H . . . . . . . 5.50 . . . . . A . 4 THR H . . A . 3 LYS HB2 . . . 4 THR H . . . . . 3 LYS HB2 . . c30342_6aza 1 15 1 . . 1 1 4 4 THR H H . . . 1 1 3 3 LYS HB3 H . . . . . . . 5.50 . . . . . A . 4 THR H . . A . 3 LYS HB3 . . . 4 THR H . . . . . 3 LYS HB3 . . c30342_6aza 1 16 1 . . 1 1 8 8 GLY H H . . . 1 1 7 7 LYS HB2 H . . . . . . . 5.50 . . . . . A . 8 GLY H . . A . 7 LYS HB2 . . . 8 GLY H . . . . . 7 LYS HB2 . . c30342_6aza 1 17 1 . . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HG3 H . . . . . . . 5.50 . . . . . A . 3 LYS H . . A . 3 LYS HG3 . . . 3 LYS H . . . . . 3 LYS HG3 . . c30342_6aza 1 18 1 . . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HG2 H . . . . . . . 5.50 . . . . . A . 3 LYS H . . A . 3 LYS HG2 . . . 3 LYS H . . . . . 3 LYS HG2 . . c30342_6aza 1 19 1 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HE2 H . . . . . . . 5.50 . . . . . A . 3 LYS H . . A . 3 LYS HE2 . . . 3 LYS H . . . . . 3 LYS QE . . c30342_6aza 1 19 2 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HE3 H . . . . . . . 5.50 . . . . . A . 3 LYS H . . A . 3 LYS HE3 . . . 3 LYS H . . . . . 3 LYS QE . . c30342_6aza 1 20 1 . . 1 1 15 15 ASN H H . . . 1 1 14 14 PRO HD3 H . . . . . . . 5.50 . . . . . A . 15 ASN H . . A . 14 PRO HD3 . . . 15 ASN H . . . . . 14 PRO HD3 . . c30342_6aza 1 21 1 OR . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HD2 H . . . . . . . 5.50 . . . . . A . 13 LYS H . . A . 13 LYS HD2 . . . 13 LYS H . . . . . 13 LYS QD . . c30342_6aza 1 21 2 OR . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HD3 H . . . . . . . 5.50 . . . . . A . 13 LYS H . . A . 13 LYS HD3 . . . 13 LYS H . . . . . 13 LYS QD . . c30342_6aza 1 22 1 OR . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HE2 H . . . . . . . 5.50 . . . . . A . 13 LYS H . . A . 13 LYS HE2 . . . 13 LYS H . . . . . 13 LYS QE . . c30342_6aza 1 22 2 OR . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HE3 H . . . . . . . 5.50 . . . . . A . 13 LYS H . . A . 13 LYS HE3 . . . 13 LYS H . . . . . 13 LYS QE . . c30342_6aza 1 23 1 . . 1 1 15 15 ASN H H . . . 1 1 14 14 PRO HD2 H . . . . . . . 5.50 . . . . . A . 15 ASN H . . A . 14 PRO HD2 . . . 15 ASN H . . . . . 14 PRO HD2 . . c30342_6aza 1 24 1 . . 1 1 17 17 GLY H H . . . 1 1 16 16 CYS HB2 H . . . . . . . 5.50 . . . . . A . 17 GLY H . . A . 16 CYS HB2 . . . 17 GLY H . . . . . 16 CYSS HB2 . . c30342_6aza 1 25 1 . . 1 1 17 17 GLY H H . . . 1 1 16 16 CYS HB3 H . . . . . . . 5.50 . . . . . A . 17 GLY H . . A . 16 CYS HB3 . . . 17 GLY H . . . . . 16 CYSS HB3 . . c30342_6aza 1 26 1 OR . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HG2 H . . . . . . . 5.50 . . . . . A . 13 LYS H . . A . 13 LYS HG2 . . . 13 LYS H . . . . . 13 LYS QG . . c30342_6aza 1 26 2 OR . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HG3 H . . . . . . . 5.50 . . . . . A . 13 LYS H . . A . 13 LYS HG3 . . . 13 LYS H . . . . . 13 LYS QG . . c30342_6aza 1 27 1 OR . 1 1 15 15 ASN H H . . . 1 1 13 13 LYS HG2 H . . . . . . . 5.50 . . . . . A . 15 ASN H . . A . 13 LYS HG2 . . . 15 ASN H . . . . . 13 LYS QG . . c30342_6aza 1 27 2 OR . 1 1 15 15 ASN H H . . . 1 1 13 13 LYS HG3 H . . . . . . . 5.50 . . . . . A . 15 ASN H . . A . 13 LYS HG3 . . . 15 ASN H . . . . . 13 LYS QG . . c30342_6aza 1 28 1 . . 1 1 13 13 LYS H H . . . 1 1 12 12 PRO HG3 H . . . . . . . 5.50 . . . . . A . 13 LYS H . . A . 12 PRO HG3 . . . 13 LYS H . . . . . 12 PRO HG3 . . c30342_6aza 1 29 1 . . 1 1 13 13 LYS H H . . . 1 1 12 12 PRO HG2 H . . . . . . . 5.50 . . . . . A . 13 LYS H . . A . 12 PRO HG2 . . . 13 LYS H . . . . . 12 PRO HG2 . . c30342_6aza 1 30 1 . . 1 1 9 9 ARG H H . . . 1 1 9 9 ARG HG2 H . . . . . . . 5.50 . . . . . A . 9 ARG H . . A . 9 ARG HG2 . . . 9 ARG H . . . . . 9 ARG HG2 . . c30342_6aza 1 31 1 . . 1 1 9 9 ARG H H . . . 1 1 9 9 ARG HG3 H . . . . . . . 5.50 . . . . . A . 9 ARG H . . A . 9 ARG HG3 . . . 9 ARG H . . . . . 9 ARG HG3 . . c30342_6aza 1 32 1 . . 1 1 13 13 LYS H H . . . 1 1 14 14 PRO HD2 H . . . . . . . 5.50 . . . . . A . 13 LYS H . . A . 14 PRO HD2 . . . 13 LYS H . . . . . 14 PRO HD2 . . c30342_6aza 1 33 1 . . 1 1 13 13 LYS H H . . . 1 1 14 14 PRO HD3 H . . . . . . . 5.50 . . . . . A . 13 LYS H . . A . 14 PRO HD3 . . . 13 LYS H . . . . . 14 PRO HD3 . . c30342_6aza 1 34 1 . . 1 1 9 9 ARG H H . . . 1 1 7 7 LYS HA H . . . . . . . 5.50 . . . . . A . 9 ARG H . . A . 7 LYS HA . . . 9 ARG H . . . . . 7 LYS HA . . c30342_6aza 1 35 1 . . 1 1 6 6 SER H H . . . 1 1 5 5 CYS HB3 H . . . . . . . 5.50 . . . . . A . 6 SER H . . A . 5 CYS HB3 . . . 6 SER H . . . . . 5 CYSS HB3 . . c30342_6aza 1 36 1 . . 1 1 6 6 SER H H . . . 1 1 5 5 CYS HB2 H . . . . . . . 5.50 . . . . . A . 6 SER H . . A . 5 CYS HB2 . . . 6 SER H . . . . . 5 CYSS HB2 . . c30342_6aza 1 37 1 OR . 1 1 11 11 ARG HG3 H . . . 1 1 12 12 PRO HD3 H . . . . . . . 5.50 . . . . . A . 11 ARG HG3 . . A . 12 PRO HD3 . . . 11 ARG QG . . . . . 12 PRO HD3 . . c30342_6aza 1 37 2 OR . 1 1 11 11 ARG HG2 H . . . 1 1 12 12 PRO HD3 H . . . . . . . 5.50 . . . . . A . 11 ARG HG2 . . A . 12 PRO HD3 . . . 11 ARG QG . . . . . 12 PRO HD3 . . c30342_6aza 1 38 1 OR . 1 1 14 14 PRO HD2 H . . . 1 1 13 13 LYS HD2 H . . . . . . . 5.50 . . . . . A . 14 PRO HD2 . . A . 13 LYS HD2 . . . 14 PRO HD2 . . . . . 13 LYS QD . . c30342_6aza 1 38 2 OR . 1 1 13 13 LYS HD3 H . . . 1 1 14 14 PRO HD2 H . . . . . . . 5.50 . . . . . A . 13 LYS HD3 . . A . 14 PRO HD2 . . . 13 LYS QD . . . . . 14 PRO HD2 . . c30342_6aza 1 39 1 OR . 1 1 11 11 ARG HG3 H . . . 1 1 12 12 PRO HD2 H . . . . . . . 5.50 . . . . . A . 11 ARG HG3 . . A . 12 PRO HD2 . . . 11 ARG QG . . . . . 12 PRO HD2 . . c30342_6aza 1 39 2 OR . 1 1 12 12 PRO HD2 H . . . 1 1 11 11 ARG HG2 H . . . . . . . 5.50 . . . . . A . 12 PRO HD2 . . A . 11 ARG HG2 . . . 12 PRO HD2 . . . . . 11 ARG QG . . c30342_6aza 1 40 1 OR . 1 1 13 13 LYS HD3 H . . . 1 1 14 14 PRO HD3 H . . . . . . . 5.50 . . . . . A . 13 LYS HD3 . . A . 14 PRO HD3 . . . 13 LYS QD . . . . . 14 PRO HD3 . . c30342_6aza 1 40 2 OR . 1 1 13 13 LYS HD2 H . . . 1 1 14 14 PRO HD3 H . . . . . . . 5.50 . . . . . A . 13 LYS HD2 . . A . 14 PRO HD3 . . . 13 LYS QD . . . . . 14 PRO HD3 . . c30342_6aza 1 41 1 . . 1 1 5 5 CYS HB2 H . . . 1 1 10 10 CYS HA H . . . . . . . 5.50 . . . . . A . 5 CYS HB2 . . A . 10 CYS HA . . . 5 CYSS HB2 . . . . . 10 CYSS HA . . c30342_6aza 1 42 1 . . 1 1 5 5 CYS HB3 H . . . 1 1 10 10 CYS HA H . . . . . . . 5.50 . . . . . A . 5 CYS HB3 . . A . 10 CYS HA . . . 5 CYSS HB3 . . . . . 10 CYSS HA . . c30342_6aza 1 43 1 OR . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS HD2 H . . . . . . . 5.50 . . . . . A . 7 LYS HA . . A . 7 LYS HD2 . . . 7 LYS HA . . . . . 7 LYS QD . . c30342_6aza 1 43 2 OR . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS HD3 H . . . . . . . 5.50 . . . . . A . 7 LYS HA . . A . 7 LYS HD3 . . . 7 LYS HA . . . . . 7 LYS QD . . c30342_6aza 1 44 1 . . 1 1 12 12 PRO HG3 H . . . 1 1 11 11 ARG HA H . . . . . . . 5.50 . . . . . A . 12 PRO HG3 . . A . 11 ARG HA . . . 12 PRO HG3 . . . . . 11 ARG HA . . c30342_6aza 1 45 1 . . 1 1 12 12 PRO HG2 H . . . 1 1 11 11 ARG HA H . . . . . . . 5.50 . . . . . A . 12 PRO HG2 . . A . 11 ARG HA . . . 12 PRO HG2 . . . . . 11 ARG HA . . c30342_6aza 1 46 1 OR . 1 1 13 13 LYS HG3 H . . . 1 1 14 14 PRO HD2 H . . . . . . . 5.50 . . . . . A . 13 LYS HG3 . . A . 14 PRO HD2 . . . 13 LYS QG . . . . . 14 PRO HD2 . . c30342_6aza 1 46 2 OR . 1 1 14 14 PRO HD2 H . . . 1 1 13 13 LYS HG2 H . . . . . . . 5.50 . . . . . A . 14 PRO HD2 . . A . 13 LYS HG2 . . . 14 PRO HD2 . . . . . 13 LYS QG . . c30342_6aza 1 47 1 OR . 1 1 13 13 LYS HG3 H . . . 1 1 14 14 PRO HD3 H . . . . . . . 5.50 . . . . . A . 13 LYS HG3 . . A . 14 PRO HD3 . . . 13 LYS QG . . . . . 14 PRO HD3 . . c30342_6aza 1 47 2 OR . 1 1 13 13 LYS HG2 H . . . 1 1 14 14 PRO HD3 H . . . . . . . 5.50 . . . . . A . 13 LYS HG2 . . A . 14 PRO HD3 . . . 13 LYS QG . . . . . 14 PRO HD3 . . c30342_6aza 1 48 1 . . 1 1 9 9 ARG HA H . . . 1 1 9 9 ARG HG2 H . . . . . . . 2.70 . . . . . A . 9 ARG HA . . A . 9 ARG HG2 . . . 9 ARG HA . . . . . 9 ARG HG2 . . c30342_6aza 1 49 1 . . 1 1 9 9 ARG HA H . . . 1 1 9 9 ARG HG3 H . . . . . . . 2.70 . . . . . A . 9 ARG HA . . A . 9 ARG HG3 . . . 9 ARG HA . . . . . 9 ARG HG3 . . c30342_6aza 1 50 1 OR . 1 1 1 1 ARG HB2 H . . . 1 1 1 1 ARG HD2 H . . . . . . . 2.40 . . . . . A . 1 ARG HB2 . . A . 1 ARG HD2 . . . 1 ARG QB . . . . . 1 ARG QD . . c30342_6aza 1 50 2 OR . 1 1 1 1 ARG HB3 H . . . 1 1 1 1 ARG HD2 H . . . . . . . 2.40 . . . . . A . 1 ARG HB3 . . A . 1 ARG HD2 . . . 1 ARG QB . . . . . 1 ARG QD . . c30342_6aza 1 50 3 OR . 1 1 1 1 ARG HD3 H . . . 1 1 1 1 ARG HB2 H . . . . . . . 2.40 . . . . . A . 1 ARG HD3 . . A . 1 ARG HB2 . . . 1 ARG QD . . . . . 1 ARG QB . . c30342_6aza 1 50 4 OR . 1 1 1 1 ARG HB3 H . . . 1 1 1 1 ARG HD3 H . . . . . . . 2.40 . . . . . A . 1 ARG HB3 . . A . 1 ARG HD3 . . . 1 ARG QB . . . . . 1 ARG QD . . c30342_6aza 1 51 1 OR . 1 1 1 1 ARG HD3 H . . . 1 1 1 1 ARG HG2 H . . . . . . . 2.62 . . . . . A . 1 ARG HD3 . . A . 1 ARG HG2 . . . 1 ARG QD . . . . . 1 ARG QG . . c30342_6aza 1 51 2 OR . 1 1 1 1 ARG HD2 H . . . 1 1 1 1 ARG HG2 H . . . . . . . 2.62 . . . . . A . 1 ARG HD2 . . A . 1 ARG HG2 . . . 1 ARG QD . . . . . 1 ARG QG . . c30342_6aza 1 51 3 OR . 1 1 1 1 ARG HG3 H . . . 1 1 1 1 ARG HD2 H . . . . . . . 2.62 . . . . . A . 1 ARG HG3 . . A . 1 ARG HD2 . . . 1 ARG QG . . . . . 1 ARG QD . . c30342_6aza 1 51 4 OR . 1 1 1 1 ARG HD3 H . . . 1 1 1 1 ARG HG3 H . . . . . . . 2.62 . . . . . A . 1 ARG HD3 . . A . 1 ARG HG3 . . . 1 ARG QD . . . . . 1 ARG QG . . c30342_6aza 1 52 1 OR . 1 1 11 11 ARG HD3 H . . . 1 1 11 11 ARG HG2 H . . . . . . . 2.87 . . . . . A . 11 ARG HD3 . . A . 11 ARG HG2 . . . 11 ARG QD . . . . . 11 ARG QG . . c30342_6aza 1 52 2 OR . 1 1 11 11 ARG HD2 H . . . 1 1 11 11 ARG HG2 H . . . . . . . 2.87 . . . . . A . 11 ARG HD2 . . A . 11 ARG HG2 . . . 11 ARG QD . . . . . 11 ARG QG . . c30342_6aza 1 52 3 OR . 1 1 11 11 ARG HG3 H . . . 1 1 11 11 ARG HD2 H . . . . . . . 2.87 . . . . . A . 11 ARG HG3 . . A . 11 ARG HD2 . . . 11 ARG QG . . . . . 11 ARG QD . . c30342_6aza 1 52 4 OR . 1 1 11 11 ARG HD3 H . . . 1 1 11 11 ARG HG3 H . . . . . . . 2.87 . . . . . A . 11 ARG HD3 . . A . 11 ARG HG3 . . . 11 ARG QD . . . . . 11 ARG QG . . c30342_6aza 1 53 1 OR . 1 1 4 4 THR H H . . . 1 1 3 3 LYS HG3 H . . . . . . . 5.34 . . . . . A . 4 THR H . . A . 3 LYS HG3 . . . 4 THR H . . . . . 3 LYS QG . . c30342_6aza 1 53 2 OR . 1 1 4 4 THR H H . . . 1 1 3 3 LYS HG2 H . . . . . . . 5.34 . . . . . A . 4 THR H . . A . 3 LYS HG2 . . . 4 THR H . . . . . 3 LYS QG . . c30342_6aza 1 54 1 OR . 1 1 6 6 SER H H . . . 1 1 9 9 ARG HB2 H . . . . . . . 5.34 . . . . . A . 6 SER H . . A . 9 ARG HB2 . . . 6 SER H . . . . . 9 ARG QB . . c30342_6aza 1 54 2 OR . 1 1 6 6 SER H H . . . 1 1 9 9 ARG HB3 H . . . . . . . 5.34 . . . . . A . 6 SER H . . A . 9 ARG HB3 . . . 6 SER H . . . . . 9 ARG QB . . c30342_6aza 1 55 1 OR . 1 1 7 7 LYS HB3 H . . . 1 1 8 8 GLY HA2 H . . . . . . . 5.18 . . . . . A . 7 LYS HB3 . . A . 8 GLY HA2 . . . 7 LYS QB . . . . . 8 GLY QA . . c30342_6aza 1 55 2 OR . 1 1 7 7 LYS HB2 H . . . 1 1 8 8 GLY HA2 H . . . . . . . 5.18 . . . . . A . 7 LYS HB2 . . A . 8 GLY HA2 . . . 7 LYS QB . . . . . 8 GLY QA . . c30342_6aza 1 55 3 OR . 1 1 8 8 GLY HA3 H . . . 1 1 7 7 LYS HB3 H . . . . . . . 5.18 . . . . . A . 8 GLY HA3 . . A . 7 LYS HB3 . . . 8 GLY QA . . . . . 7 LYS QB . . c30342_6aza 1 55 4 OR . 1 1 7 7 LYS HB2 H . . . 1 1 8 8 GLY HA3 H . . . . . . . 5.18 . . . . . A . 7 LYS HB2 . . A . 8 GLY HA3 . . . 7 LYS QB . . . . . 8 GLY QA . . c30342_6aza 1 56 1 OR . 1 1 8 8 GLY H H . . . 1 1 7 7 LYS HG2 H . . . . . . . 5.34 . . . . . A . 8 GLY H . . A . 7 LYS HG2 . . . 8 GLY H . . . . . 7 LYS QG . . c30342_6aza 1 56 2 OR . 1 1 8 8 GLY H H . . . 1 1 7 7 LYS HG3 H . . . . . . . 5.34 . . . . . A . 8 GLY H . . A . 7 LYS HG3 . . . 8 GLY H . . . . . 7 LYS QG . . c30342_6aza 1 57 1 OR . 1 1 9 9 ARG HA H . . . 1 1 9 9 ARG HB2 H . . . . . . . 2.52 . . . . . A . 9 ARG HA . . A . 9 ARG HB2 . . . 9 ARG HA . . . . . 9 ARG QB . . c30342_6aza 1 57 2 OR . 1 1 9 9 ARG HA H . . . 1 1 9 9 ARG HB3 H . . . . . . . 2.52 . . . . . A . 9 ARG HA . . A . 9 ARG HB3 . . . 9 ARG HA . . . . . 9 ARG QB . . c30342_6aza 1 58 1 OR . 1 1 9 9 ARG HB3 H . . . 1 1 9 9 ARG HD2 H . . . . . . . 2.39 . . . . . A . 9 ARG HB3 . . A . 9 ARG HD2 . . . 9 ARG QB . . . . . 9 ARG QD . . c30342_6aza 1 58 2 OR . 1 1 9 9 ARG HB2 H . . . 1 1 9 9 ARG HD2 H . . . . . . . 2.39 . . . . . A . 9 ARG HB2 . . A . 9 ARG HD2 . . . 9 ARG QB . . . . . 9 ARG QD . . c30342_6aza 1 58 3 OR . 1 1 9 9 ARG HD3 H . . . 1 1 9 9 ARG HB2 H . . . . . . . 2.39 . . . . . A . 9 ARG HD3 . . A . 9 ARG HB2 . . . 9 ARG QD . . . . . 9 ARG QB . . c30342_6aza 1 58 4 OR . 1 1 9 9 ARG HB3 H . . . 1 1 9 9 ARG HD3 H . . . . . . . 2.39 . . . . . A . 9 ARG HB3 . . A . 9 ARG HD3 . . . 9 ARG QB . . . . . 9 ARG QD . . c30342_6aza 1 59 1 OR . 1 1 9 9 ARG HD2 H . . . 1 1 9 9 ARG HG3 H . . . . . . . 2.31 . . . . . A . 9 ARG HD2 . . A . 9 ARG HG3 . . . 9 ARG QD . . . . . 9 ARG QG . . c30342_6aza 1 59 2 OR . 1 1 9 9 ARG HD3 H . . . 1 1 9 9 ARG HG3 H . . . . . . . 2.31 . . . . . A . 9 ARG HD3 . . A . 9 ARG HG3 . . . 9 ARG QD . . . . . 9 ARG QG . . c30342_6aza 1 59 3 OR . 1 1 9 9 ARG HG2 H . . . 1 1 9 9 ARG HD2 H . . . . . . . 2.31 . . . . . A . 9 ARG HG2 . . A . 9 ARG HD2 . . . 9 ARG QG . . . . . 9 ARG QD . . c30342_6aza 1 59 4 OR . 1 1 9 9 ARG HD3 H . . . 1 1 9 9 ARG HG2 H . . . . . . . 2.31 . . . . . A . 9 ARG HD3 . . A . 9 ARG HG2 . . . 9 ARG QD . . . . . 9 ARG QG . . c30342_6aza 1 60 1 OR . 1 1 11 11 ARG HB3 H . . . 1 1 11 11 ARG HD2 H . . . . . . . 2.39 . . . . . A . 11 ARG HB3 . . A . 11 ARG HD2 . . . 11 ARG QB . . . . . 11 ARG QD . . c30342_6aza 1 60 2 OR . 1 1 11 11 ARG HB2 H . . . 1 1 11 11 ARG HD2 H . . . . . . . 2.39 . . . . . A . 11 ARG HB2 . . A . 11 ARG HD2 . . . 11 ARG QB . . . . . 11 ARG QD . . c30342_6aza 1 60 3 OR . 1 1 11 11 ARG HD3 H . . . 1 1 11 11 ARG HB2 H . . . . . . . 2.39 . . . . . A . 11 ARG HD3 . . A . 11 ARG HB2 . . . 11 ARG QD . . . . . 11 ARG QB . . c30342_6aza 1 60 4 OR . 1 1 11 11 ARG HD3 H . . . 1 1 11 11 ARG HB3 H . . . . . . . 2.39 . . . . . A . 11 ARG HD3 . . A . 11 ARG HB3 . . . 11 ARG QD . . . . . 11 ARG QB . . c30342_6aza 1 61 1 OR . 1 1 11 11 ARG HB2 H . . . 1 1 12 12 PRO HD3 H . . . . . . . 4.53 . . . . . A . 11 ARG HB2 . . A . 12 PRO HD3 . . . 11 ARG QB . . . . . 12 PRO QD . . c30342_6aza 1 61 2 OR . 1 1 11 11 ARG HB3 H . . . 1 1 12 12 PRO HD3 H . . . . . . . 4.53 . . . . . A . 11 ARG HB3 . . A . 12 PRO HD3 . . . 11 ARG QB . . . . . 12 PRO QD . . c30342_6aza 1 61 3 OR . 1 1 12 12 PRO HD2 H . . . 1 1 11 11 ARG HB2 H . . . . . . . 4.53 . . . . . A . 12 PRO HD2 . . A . 11 ARG HB2 . . . 12 PRO QD . . . . . 11 ARG QB . . c30342_6aza 1 61 4 OR . 1 1 11 11 ARG HB3 H . . . 1 1 12 12 PRO HD2 H . . . . . . . 4.53 . . . . . A . 11 ARG HB3 . . A . 12 PRO HD2 . . . 11 ARG QB . . . . . 12 PRO QD . . c30342_6aza 1 62 1 OR . 1 1 13 13 LYS H H . . . 1 1 12 12 PRO HD3 H . . . . . . . 4.96 . . . . . A . 13 LYS H . . A . 12 PRO HD3 . . . 13 LYS H . . . . . 12 PRO QD . . c30342_6aza 1 62 2 OR . 1 1 13 13 LYS H H . . . 1 1 12 12 PRO HD2 H . . . . . . . 4.96 . . . . . A . 13 LYS H . . A . 12 PRO HD2 . . . 13 LYS H . . . . . 12 PRO QD . . c30342_6aza 1 63 1 OR . 1 1 13 13 LYS H H . . . 1 1 16 16 CYS HB3 H . . . . . . . 5.34 . . . . . A . 13 LYS H . . A . 16 CYS HB3 . . . 13 LYS H . . . . . 16 CYSS QB . . c30342_6aza 1 63 2 OR . 1 1 13 13 LYS H H . . . 1 1 16 16 CYS HB2 H . . . . . . . 5.34 . . . . . A . 13 LYS H . . A . 16 CYS HB2 . . . 13 LYS H . . . . . 16 CYSS QB . . c30342_6aza 1 64 1 OR . 1 1 13 13 LYS HB2 H . . . 1 1 14 14 PRO HD3 H . . . . . . . 4.76 . . . . . A . 13 LYS HB2 . . A . 14 PRO HD3 . . . 13 LYS QB . . . . . 14 PRO QD . . c30342_6aza 1 64 2 OR . 1 1 13 13 LYS HB3 H . . . 1 1 14 14 PRO HD3 H . . . . . . . 4.76 . . . . . A . 13 LYS HB3 . . A . 14 PRO HD3 . . . 13 LYS QB . . . . . 14 PRO QD . . c30342_6aza 1 64 3 OR . 1 1 14 14 PRO HD2 H . . . 1 1 13 13 LYS HB2 H . . . . . . . 4.76 . . . . . A . 14 PRO HD2 . . A . 13 LYS HB2 . . . 14 PRO QD . . . . . 13 LYS QB . . c30342_6aza 1 64 4 OR . 1 1 13 13 LYS HB3 H . . . 1 1 14 14 PRO HD2 H . . . . . . . 4.76 . . . . . A . 13 LYS HB3 . . A . 14 PRO HD2 . . . 13 LYS QB . . . . . 14 PRO QD . . c30342_6aza 1 65 1 OR . 1 1 15 15 ASN H H . . . 1 1 13 13 LYS HB2 H . . . . . . . 5.34 . . . . . A . 15 ASN H . . A . 13 LYS HB2 . . . 15 ASN H . . . . . 13 LYS QB . . c30342_6aza 1 65 2 OR . 1 1 15 15 ASN H H . . . 1 1 13 13 LYS HB3 H . . . . . . . 5.34 . . . . . A . 15 ASN H . . A . 13 LYS HB3 . . . 15 ASN H . . . . . 13 LYS QB . . c30342_6aza 1 66 1 OR . 1 1 15 15 ASN H H . . . 1 1 14 14 PRO HG2 H . . . . . . . 5.03 . . . . . A . 15 ASN H . . A . 14 PRO HG2 . . . 15 ASN H . . . . . 14 PRO QG . . c30342_6aza 1 66 2 OR . 1 1 15 15 ASN H H . . . 1 1 14 14 PRO HG3 H . . . . . . . 5.03 . . . . . A . 15 ASN H . . A . 14 PRO HG3 . . . 15 ASN H . . . . . 14 PRO QG . . c30342_6aza 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 'Restraints file 2: ate-final.upl' 1 1 1 34 c30342_6aza 1 2 'peak 8 #SUP 0.80 #QF 0.80' 2 49 2 74 c30342_6aza 1 3 'peak 18 #SUP 0.96 #QF 0.96' 3 49 3 75 c30342_6aza 1 4 'peak 19 #SUP 0.75 #QF 0.75' 4 49 4 75 c30342_6aza 1 5 'peak 22 #SUP 0.91 #QF 0.91' 5 49 5 75 c30342_6aza 1 6 'peak 23 #SUP 0.89 #QF 0.89' 6 49 6 75 c30342_6aza 1 7 'peak 26 #SUP 0.94 #QF 0.94' 7 49 7 75 c30342_6aza 1 8 'peak 43 #SUP 0.78 #QF 0.78' 8 49 8 75 c30342_6aza 1 9 'peak 44 #SUP 0.93 #QF 0.93' 9 49 9 75 c30342_6aza 1 10 'peak 45 #SUP 0.96 #QF 0.96' 10 49 10 75 c30342_6aza 1 11 'peak 46 #SUP 0.97 #QF 0.55' 11 49 11 75 c30342_6aza 1 12 'peak 46 #SUP 0.97 #QF 0.55' 12 49 12 75 c30342_6aza 1 13 'peak 58 #SUP 1.00' 13 49 13 66 c30342_6aza 1 14 'peak 59 #SUP 0.94 #QF 0.94' 14 49 14 75 c30342_6aza 1 15 'peak 60 #SUP 0.96 #QF 0.85' 15 49 15 75 c30342_6aza 1 16 'peak 60 #SUP 0.96 #QF 0.85' 16 49 16 75 c30342_6aza 1 17 'peak 62 #SUP 0.97 #QF 0.97' 17 49 17 75 c30342_6aza 1 18 'peak 63 #SUP 0.99 #QF 0.99' 18 49 18 75 c30342_6aza 1 19 'peak 70 #SUP 0.95 #QF 0.95' 19 49 19 75 c30342_6aza 1 20 'peak 75 #SUP 0.79 #QF 0.79' 20 49 20 75 c30342_6aza 1 21 'peak 77 #SUP 0.97 #QF 0.97' 21 49 21 75 c30342_6aza 1 22 'peak 83 #SUP 0.73 #QF 0.73' 22 49 22 75 c30342_6aza 1 23 'peak 86 #SUP 0.82 #QF 0.75' 23 49 23 75 c30342_6aza 1 24 'peak 106 #SUP 0.99 #QF 0.99' 24 49 24 76 c30342_6aza 1 25 'peak 107 #SUP 1.00' 25 49 25 67 c30342_6aza 1 26 'peak 108 #SUP 0.95 #QF 0.95' 26 49 26 76 c30342_6aza 1 27 'peak 134 #SUP 1.00' 27 49 27 67 c30342_6aza 1 28 'peak 135 #SUP 0.98 #QF 0.98' 28 49 28 76 c30342_6aza 1 29 'peak 140 #SUP 0.79 #QF 0.79' 29 49 29 76 c30342_6aza 1 30 'peak 141 #SUP 0.88 #QF 0.88' 30 49 30 76 c30342_6aza 1 31 'peak 145 #SUP 0.83 #QF 0.83' 31 49 31 76 c30342_6aza 1 32 'peak 146 #SUP 0.98 #QF 0.98' 32 49 32 76 c30342_6aza 1 33 'peak 149 #SUP 0.98 #QF 0.73' 33 49 33 76 c30342_6aza 1 34 'peak 150 #SUP 1.00' 34 49 34 67 c30342_6aza 1 35 'peak 156 #SUP 0.89 #QF 0.67' 35 49 35 76 c30342_6aza 1 36 'peak 163 #SUP 0.78 #QF 0.35' 36 49 36 76 c30342_6aza 1 37 'peak 165 #SUP 0.75 #QF 0.51' 37 49 37 76 c30342_6aza 1 38 'peak 195 #SUP 0.94 #QF 0.89' 38 49 38 76 c30342_6aza 1 39 'peak 195 #SUP 0.94 #QF 0.89' 39 49 39 76 c30342_6aza 1 40 'peak 198 #SUP 0.87 #QF 0.87' 40 49 40 76 c30342_6aza 1 41 'peak 207 #SUP 0.61 #QF 0.21' 41 49 41 76 c30342_6aza 1 42 'peak 218 #SUP 0.93 #QF 0.90' 42 49 42 76 c30342_6aza 1 43 'peak 219 #SUP 0.75 #QF 0.28' 43 49 43 76 c30342_6aza 1 44 'peak 232 #SUP 0.81 #QF 0.81' 44 49 44 76 c30342_6aza 1 45 'peak 241 #SUP 0.83 #QF 0.83' 45 49 45 76 c30342_6aza 1 46 'peak 242 #SUP 0.91 #QF 0.91' 46 49 46 76 c30342_6aza 1 47 'peak 252 #SUP 1.00' 47 49 47 67 c30342_6aza 1 48 'peak 253 #SUP 0.99 #QF 0.25' 48 49 48 76 c30342_6aza 1 49 'peak 268 #SUP 0.86 #QF 0.86' 49 49 49 76 c30342_6aza 1 50 'peak 269 #SUP 0.90 #QF 0.90' 50 49 50 76 c30342_6aza 1 51 'peak 273 #SUP 1.00' 51 49 51 67 c30342_6aza 1 52 'peak 276 #SUP 1.00 #QF 0.66' 52 49 52 76 c30342_6aza 1 53 'peak 276 #SUP 1.00 #QF 0.66' 53 49 53 76 c30342_6aza 1 54 'peak 57' 54 49 54 56 c30342_6aza 1 55 'peak 61' 55 49 55 56 c30342_6aza 1 56 'peak 206' 56 49 56 57 c30342_6aza 1 57 'peak 57' 57 49 57 56 c30342_6aza 1 58 'peak 267' 58 49 58 57 c30342_6aza 1 59 'peak 277' 59 49 59 57 c30342_6aza 1 60 'peak 271' 60 49 60 57 c30342_6aza 1 61 'peak 275' 61 49 61 57 c30342_6aza 1 62 'peak 199' 62 49 62 57 c30342_6aza 1 63 'peak 149' 63 49 63 57 c30342_6aza 1 64 'peak 86' 64 49 64 56 c30342_6aza 1 65 'peak 208' 65 49 65 57 c30342_6aza 1 66 'peak 137' 66 49 66 57 c30342_6aza 1 67 'peak 67' 67 49 67 56 c30342_6aza 1 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID c30342_6aza _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type 'general distance' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 4 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c30342_6aza 2 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 5 5 CYS SG S . . . 1 1 10 10 CYS SG S . . . . . . . 2.1 . . . . . A . 5 CYS SG . . A . 10 CYS SG . . . 5 CYSS SG . . . . . 10 CYSS SG . . c30342_6aza 2 2 1 . . 1 1 5 5 CYS SG S . . . 1 1 10 10 CYS CB C . . . . . . . 3.1 . . . . . A . 5 CYS SG . . A . 10 CYS CB . . . 5 CYSS SG . . . . . 10 CYSS CB . . c30342_6aza 2 3 1 . . 1 1 10 10 CYS SG S . . . 1 1 5 5 CYS CB C . . . . . . . 3.1 . . . . . A . 10 CYS SG . . A . 5 CYS CB . . . 10 CYSS SG . . . . . 5 CYSS CB . . c30342_6aza 2 4 1 . . 1 1 16 16 CYS SG S . . . 1 1 2 2 CYS SG S . . . . . . . 2.1 . . . . . A . 16 CYS SG . . A . 2 CYS SG . . . 16 CYSS SG . . . . . 2 CYSS SG . . c30342_6aza 2 5 1 . . 1 1 16 16 CYS SG S . . . 1 1 2 2 CYS CB C . . . . . . . 3.1 . . . . . A . 16 CYS SG . . A . 2 CYS CB . . . 16 CYSS SG . . . . . 2 CYSS CB . . c30342_6aza 2 6 1 . . 1 1 2 2 CYS SG S . . . 1 1 16 16 CYS CB C . . . . . . . 3.1 . . . . . A . 2 CYS SG . . A . 16 CYS CB . . . 2 CYSS SG . . . . . 16 CYSS CB . . c30342_6aza 2 7 1 . . 1 1 5 5 CYS SG S . . . 1 1 10 10 CYS SG S . . . . . . . 2.0 . . . . . A . 5 CYS SG . . A . 10 CYS SG . . . 5 CYSS SG . . . . . 10 CYSS SG . . c30342_6aza 2 8 1 . . 1 1 5 5 CYS SG S . . . 1 1 10 10 CYS CB C . . . . . . . 3.0 . . . . . A . 5 CYS SG . . A . 10 CYS CB . . . 5 CYSS SG . . . . . 10 CYSS CB . . c30342_6aza 2 9 1 . . 1 1 10 10 CYS SG S . . . 1 1 5 5 CYS CB C . . . . . . . 3.0 . . . . . A . 10 CYS SG . . A . 5 CYS CB . . . 10 CYSS SG . . . . . 5 CYSS CB . . c30342_6aza 2 10 1 . . 1 1 16 16 CYS SG S . . . 1 1 2 2 CYS SG S . . . . . . . 2.0 . . . . . A . 16 CYS SG . . A . 2 CYS SG . . . 16 CYSS SG . . . . . 2 CYSS SG . . c30342_6aza 2 11 1 . . 1 1 16 16 CYS SG S . . . 1 1 2 2 CYS CB C . . . . . . . 3.0 . . . . . A . 16 CYS SG . . A . 2 CYS CB . . . 16 CYSS SG . . . . . 2 CYSS CB . . c30342_6aza 2 12 1 . . 1 1 2 2 CYS SG S . . . 1 1 16 16 CYS CB C . . . . . . . 3.0 . . . . . A . 2 CYS SG . . A . 16 CYS CB . . . 2 CYSS SG . . . . . 16 CYSS CB . . c30342_6aza 2 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 'Restraints file 3: ate-ssbond.upl' 1 1 1 35 c30342_6aza 2 2 'Restraints file 4: ate-ssbond.lol' 8 1 8 35 c30342_6aza 2 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 c30342_6aza _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 . . . . c30342_6aza 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 PSI . 1 1 1 1 ARG N N . . 1 1 1 1 ARG CA C . . 1 1 1 1 ARG C C . . 1 1 2 2 CYS N N . -75.0 185.0 . . . A . 1 ARG N . . A . 1 ARG CA . . A . 1 ARG C . . A . 2 CYS N . . . 1 ARG . . . . . . 1 ARG . . . . . . 1 ARG . . . . . . 1 ARG . . . c30342_6aza 1 2 PSI . 1 1 1 1 ARG N N . . 1 1 1 1 ARG CA C . . 1 1 1 1 ARG C C . . 1 1 2 2 CYS N N . 25.0 55.0 . . . A . 1 ARG N . . A . 1 ARG CA . . A . 1 ARG C . . A . 2 CYS N . . . 1 ARG . . . . . . 1 ARG . . . . . . 1 ARG . . . . . . 1 ARG . . . c30342_6aza 1 3 PSI . 1 1 1 1 ARG N N . . 1 1 1 1 ARG CA C . . 1 1 1 1 ARG C C . . 1 1 2 2 CYS N N . 105.0 185.0 . . . A . 1 ARG N . . A . 1 ARG CA . . A . 1 ARG C . . A . 2 CYS N . . . 1 ARG . . . . . . 1 ARG . . . . . . 1 ARG . . . . . . 1 ARG . . . c30342_6aza 1 4 PHI . 1 1 1 1 ARG C C . . 1 1 2 2 CYS N N . . 1 1 2 2 CYS CA C . . 1 1 2 2 CYS C C . -175.0 75.0 . . . A . 1 ARG C . . A . 2 CYS N . . A . 2 CYS CA . . A . 2 CYS C . . . 2 CYSS . . . . . . 2 CYSS . . . . . . 2 CYSS . . . . . . 2 CYSS . . . c30342_6aza 1 5 PHI . 1 1 1 1 ARG C C . . 1 1 2 2 CYS N N . . 1 1 2 2 CYS CA C . . 1 1 2 2 CYS C C . -255.0 -25.0 . . . A . 1 ARG C . . A . 2 CYS N . . A . 2 CYS CA . . A . 2 CYS C . . . 2 CYSS . . . . . . 2 CYSS . . . . . . 2 CYSS . . . . . . 2 CYSS . . . c30342_6aza 1 6 PHI . 1 1 1 1 ARG C C . . 1 1 2 2 CYS N N . . 1 1 2 2 CYS CA C . . 1 1 2 2 CYS C C . -135.0 75.0 . . . A . 1 ARG C . . A . 2 CYS N . . A . 2 CYS CA . . A . 2 CYS C . . . 2 CYSS . . . . . . 2 CYSS . . . . . . 2 CYSS . . . . . . 2 CYSS . . . c30342_6aza 1 7 PSI . 1 1 2 2 CYS N N . . 1 1 2 2 CYS CA C . . 1 1 2 2 CYS C C . . 1 1 3 3 LYS N N . -75.0 185.0 . . . A . 2 CYS N . . A . 2 CYS CA . . A . 2 CYS C . . A . 3 LYS N . . . 2 CYSS . . . . . . 2 CYSS . . . . . . 2 CYSS . . . . . . 2 CYSS . . . c30342_6aza 1 8 PSI . 1 1 2 2 CYS N N . . 1 1 2 2 CYS CA C . . 1 1 2 2 CYS C C . . 1 1 3 3 LYS N N . 25.0 55.0 . . . A . 2 CYS N . . A . 2 CYS CA . . A . 2 CYS C . . A . 3 LYS N . . . 2 CYSS . . . . . . 2 CYSS . . . . . . 2 CYSS . . . . . . 2 CYSS . . . c30342_6aza 1 9 PSI . 1 1 2 2 CYS N N . . 1 1 2 2 CYS CA C . . 1 1 2 2 CYS C C . . 1 1 3 3 LYS N N . 105.0 185.0 . . . A . 2 CYS N . . A . 2 CYS CA . . A . 2 CYS C . . A . 3 LYS N . . . 2 CYSS . . . . . . 2 CYSS . . . . . . 2 CYSS . . . . . . 2 CYSS . . . c30342_6aza 1 10 PHI . 1 1 2 2 CYS C C . . 1 1 3 3 LYS N N . . 1 1 3 3 LYS CA C . . 1 1 3 3 LYS C C . -175.0 75.0 . . . A . 2 CYS C . . A . 3 LYS N . . A . 3 LYS CA . . A . 3 LYS C . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . c30342_6aza 1 11 PHI . 1 1 2 2 CYS C C . . 1 1 3 3 LYS N N . . 1 1 3 3 LYS CA C . . 1 1 3 3 LYS C C . -255.0 -25.0 . . . A . 2 CYS C . . A . 3 LYS N . . A . 3 LYS CA . . A . 3 LYS C . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . c30342_6aza 1 12 PHI . 1 1 2 2 CYS C C . . 1 1 3 3 LYS N N . . 1 1 3 3 LYS CA C . . 1 1 3 3 LYS C C . -135.0 75.0 . . . A . 2 CYS C . . A . 3 LYS N . . A . 3 LYS CA . . A . 3 LYS C . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . c30342_6aza 1 13 PSI . 1 1 3 3 LYS N N . . 1 1 3 3 LYS CA C . . 1 1 3 3 LYS C C . . 1 1 4 4 THR N N . -75.0 185.0 . . . A . 3 LYS N . . A . 3 LYS CA . . A . 3 LYS C . . A . 4 THR N . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . c30342_6aza 1 14 PSI . 1 1 3 3 LYS N N . . 1 1 3 3 LYS CA C . . 1 1 3 3 LYS C C . . 1 1 4 4 THR N N . 25.0 55.0 . . . A . 3 LYS N . . A . 3 LYS CA . . A . 3 LYS C . . A . 4 THR N . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . c30342_6aza 1 15 PSI . 1 1 3 3 LYS N N . . 1 1 3 3 LYS CA C . . 1 1 3 3 LYS C C . . 1 1 4 4 THR N N . 105.0 185.0 . . . A . 3 LYS N . . A . 3 LYS CA . . A . 3 LYS C . . A . 4 THR N . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . c30342_6aza 1 16 PHI . 1 1 3 3 LYS C C . . 1 1 4 4 THR N N . . 1 1 4 4 THR CA C . . 1 1 4 4 THR C C . -175.0 75.0 . . . A . 3 LYS C . . A . 4 THR N . . A . 4 THR CA . . A . 4 THR C . . . 4 THR . . . . . . 4 THR . . . . . . 4 THR . . . . . . 4 THR . . . c30342_6aza 1 17 PHI . 1 1 3 3 LYS C C . . 1 1 4 4 THR N N . . 1 1 4 4 THR CA C . . 1 1 4 4 THR C C . -255.0 -25.0 . . . A . 3 LYS C . . A . 4 THR N . . A . 4 THR CA . . A . 4 THR C . . . 4 THR . . . . . . 4 THR . . . . . . 4 THR . . . . . . 4 THR . . . c30342_6aza 1 18 PHI . 1 1 3 3 LYS C C . . 1 1 4 4 THR N N . . 1 1 4 4 THR CA C . . 1 1 4 4 THR C C . -135.0 75.0 . . . A . 3 LYS C . . A . 4 THR N . . A . 4 THR CA . . A . 4 THR C . . . 4 THR . . . . . . 4 THR . . . . . . 4 THR . . . . . . 4 THR . . . c30342_6aza 1 19 PSI . 1 1 4 4 THR N N . . 1 1 4 4 THR CA C . . 1 1 4 4 THR C C . . 1 1 5 5 CYS N N . -75.0 185.0 . . . A . 4 THR N . . A . 4 THR CA . . A . 4 THR C . . A . 5 CYS N . . . 4 THR . . . . . . 4 THR . . . . . . 4 THR . . . . . . 4 THR . . . c30342_6aza 1 20 PSI . 1 1 4 4 THR N N . . 1 1 4 4 THR CA C . . 1 1 4 4 THR C C . . 1 1 5 5 CYS N N . 25.0 55.0 . . . A . 4 THR N . . A . 4 THR CA . . A . 4 THR C . . A . 5 CYS N . . . 4 THR . . . . . . 4 THR . . . . . . 4 THR . . . . . . 4 THR . . . c30342_6aza 1 21 PSI . 1 1 4 4 THR N N . . 1 1 4 4 THR CA C . . 1 1 4 4 THR C C . . 1 1 5 5 CYS N N . 105.0 185.0 . . . A . 4 THR N . . A . 4 THR CA . . A . 4 THR C . . A . 5 CYS N . . . 4 THR . . . . . . 4 THR . . . . . . 4 THR . . . . . . 4 THR . . . c30342_6aza 1 22 PHI . 1 1 4 4 THR C C . . 1 1 5 5 CYS N N . . 1 1 5 5 CYS CA C . . 1 1 5 5 CYS C C . -175.0 75.0 . . . A . 4 THR C . . A . 5 CYS N . . A . 5 CYS CA . . A . 5 CYS C . . . 5 CYSS . . . . . . 5 CYSS . . . . . . 5 CYSS . . . . . . 5 CYSS . . . c30342_6aza 1 23 PHI . 1 1 4 4 THR C C . . 1 1 5 5 CYS N N . . 1 1 5 5 CYS CA C . . 1 1 5 5 CYS C C . -255.0 -25.0 . . . A . 4 THR C . . A . 5 CYS N . . A . 5 CYS CA . . A . 5 CYS C . . . 5 CYSS . . . . . . 5 CYSS . . . . . . 5 CYSS . . . . . . 5 CYSS . . . c30342_6aza 1 24 PHI . 1 1 4 4 THR C C . . 1 1 5 5 CYS N N . . 1 1 5 5 CYS CA C . . 1 1 5 5 CYS C C . -135.0 75.0 . . . A . 4 THR C . . A . 5 CYS N . . A . 5 CYS CA . . A . 5 CYS C . . . 5 CYSS . . . . . . 5 CYSS . . . . . . 5 CYSS . . . . . . 5 CYSS . . . c30342_6aza 1 25 PSI . 1 1 5 5 CYS N N . . 1 1 5 5 CYS CA C . . 1 1 5 5 CYS C C . . 1 1 6 6 SER N N . -75.0 185.0 . . . A . 5 CYS N . . A . 5 CYS CA . . A . 5 CYS C . . A . 6 SER N . . . 5 CYSS . . . . . . 5 CYSS . . . . . . 5 CYSS . . . . . . 5 CYSS . . . c30342_6aza 1 26 PSI . 1 1 5 5 CYS N N . . 1 1 5 5 CYS CA C . . 1 1 5 5 CYS C C . . 1 1 6 6 SER N N . 25.0 55.0 . . . A . 5 CYS N . . A . 5 CYS CA . . A . 5 CYS C . . A . 6 SER N . . . 5 CYSS . . . . . . 5 CYSS . . . . . . 5 CYSS . . . . . . 5 CYSS . . . c30342_6aza 1 27 PSI . 1 1 5 5 CYS N N . . 1 1 5 5 CYS CA C . . 1 1 5 5 CYS C C . . 1 1 6 6 SER N N . 105.0 185.0 . . . A . 5 CYS N . . A . 5 CYS CA . . A . 5 CYS C . . A . 6 SER N . . . 5 CYSS . . . . . . 5 CYSS . . . . . . 5 CYSS . . . . . . 5 CYSS . . . c30342_6aza 1 28 PHI . 1 1 5 5 CYS C C . . 1 1 6 6 SER N N . . 1 1 6 6 SER CA C . . 1 1 6 6 SER C C . -175.0 75.0 . . . A . 5 CYS C . . A . 6 SER N . . A . 6 SER CA . . A . 6 SER C . . . 6 SER . . . . . . 6 SER . . . . . . 6 SER . . . . . . 6 SER . . . c30342_6aza 1 29 PHI . 1 1 5 5 CYS C C . . 1 1 6 6 SER N N . . 1 1 6 6 SER CA C . . 1 1 6 6 SER C C . -255.0 -25.0 . . . A . 5 CYS C . . A . 6 SER N . . A . 6 SER CA . . A . 6 SER C . . . 6 SER . . . . . . 6 SER . . . . . . 6 SER . . . . . . 6 SER . . . c30342_6aza 1 30 PHI . 1 1 5 5 CYS C C . . 1 1 6 6 SER N N . . 1 1 6 6 SER CA C . . 1 1 6 6 SER C C . -135.0 75.0 . . . A . 5 CYS C . . A . 6 SER N . . A . 6 SER CA . . A . 6 SER C . . . 6 SER . . . . . . 6 SER . . . . . . 6 SER . . . . . . 6 SER . . . c30342_6aza 1 31 PSI . 1 1 6 6 SER N N . . 1 1 6 6 SER CA C . . 1 1 6 6 SER C C . . 1 1 7 7 LYS N N . -75.0 185.0 . . . A . 6 SER N . . A . 6 SER CA . . A . 6 SER C . . A . 7 LYS N . . . 6 SER . . . . . . 6 SER . . . . . . 6 SER . . . . . . 6 SER . . . c30342_6aza 1 32 PSI . 1 1 6 6 SER N N . . 1 1 6 6 SER CA C . . 1 1 6 6 SER C C . . 1 1 7 7 LYS N N . 25.0 55.0 . . . A . 6 SER N . . A . 6 SER CA . . A . 6 SER C . . A . 7 LYS N . . . 6 SER . . . . . . 6 SER . . . . . . 6 SER . . . . . . 6 SER . . . c30342_6aza 1 33 PSI . 1 1 6 6 SER N N . . 1 1 6 6 SER CA C . . 1 1 6 6 SER C C . . 1 1 7 7 LYS N N . 105.0 185.0 . . . A . 6 SER N . . A . 6 SER CA . . A . 6 SER C . . A . 7 LYS N . . . 6 SER . . . . . . 6 SER . . . . . . 6 SER . . . . . . 6 SER . . . c30342_6aza 1 34 PHI . 1 1 6 6 SER C C . . 1 1 7 7 LYS N N . . 1 1 7 7 LYS CA C . . 1 1 7 7 LYS C C . -175.0 75.0 . . . A . 6 SER C . . A . 7 LYS N . . A . 7 LYS CA . . A . 7 LYS C . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . c30342_6aza 1 35 PHI . 1 1 6 6 SER C C . . 1 1 7 7 LYS N N . . 1 1 7 7 LYS CA C . . 1 1 7 7 LYS C C . -255.0 -25.0 . . . A . 6 SER C . . A . 7 LYS N . . A . 7 LYS CA . . A . 7 LYS C . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . c30342_6aza 1 36 PHI . 1 1 6 6 SER C C . . 1 1 7 7 LYS N N . . 1 1 7 7 LYS CA C . . 1 1 7 7 LYS C C . -135.0 75.0 . . . A . 6 SER C . . A . 7 LYS N . . A . 7 LYS CA . . A . 7 LYS C . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . c30342_6aza 1 37 PSI . 1 1 7 7 LYS N N . . 1 1 7 7 LYS CA C . . 1 1 7 7 LYS C C . . 1 1 8 8 GLY N N . -75.0 185.0 . . . A . 7 LYS N . . A . 7 LYS CA . . A . 7 LYS C . . A . 8 GLY N . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . c30342_6aza 1 38 PSI . 1 1 7 7 LYS N N . . 1 1 7 7 LYS CA C . . 1 1 7 7 LYS C C . . 1 1 8 8 GLY N N . 25.0 55.0 . . . A . 7 LYS N . . A . 7 LYS CA . . A . 7 LYS C . . A . 8 GLY N . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . c30342_6aza 1 39 PSI . 1 1 7 7 LYS N N . . 1 1 7 7 LYS CA C . . 1 1 7 7 LYS C C . . 1 1 8 8 GLY N N . 105.0 185.0 . . . A . 7 LYS N . . A . 7 LYS CA . . A . 7 LYS C . . A . 8 GLY N . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . c30342_6aza 1 40 PHI . 1 1 8 8 GLY C C . . 1 1 9 9 ARG N N . . 1 1 9 9 ARG CA C . . 1 1 9 9 ARG C C . -175.0 75.0 . . . A . 8 GLY C . . A . 9 ARG N . . A . 9 ARG CA . . A . 9 ARG C . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . c30342_6aza 1 41 PHI . 1 1 8 8 GLY C C . . 1 1 9 9 ARG N N . . 1 1 9 9 ARG CA C . . 1 1 9 9 ARG C C . -255.0 -25.0 . . . A . 8 GLY C . . A . 9 ARG N . . A . 9 ARG CA . . A . 9 ARG C . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . c30342_6aza 1 42 PHI . 1 1 8 8 GLY C C . . 1 1 9 9 ARG N N . . 1 1 9 9 ARG CA C . . 1 1 9 9 ARG C C . -135.0 75.0 . . . A . 8 GLY C . . A . 9 ARG N . . A . 9 ARG CA . . A . 9 ARG C . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . c30342_6aza 1 43 PSI . 1 1 9 9 ARG N N . . 1 1 9 9 ARG CA C . . 1 1 9 9 ARG C C . . 1 1 10 10 CYS N N . -75.0 185.0 . . . A . 9 ARG N . . A . 9 ARG CA . . A . 9 ARG C . . A . 10 CYS N . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . c30342_6aza 1 44 PSI . 1 1 9 9 ARG N N . . 1 1 9 9 ARG CA C . . 1 1 9 9 ARG C C . . 1 1 10 10 CYS N N . 25.0 55.0 . . . A . 9 ARG N . . A . 9 ARG CA . . A . 9 ARG C . . A . 10 CYS N . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . c30342_6aza 1 45 PSI . 1 1 9 9 ARG N N . . 1 1 9 9 ARG CA C . . 1 1 9 9 ARG C C . . 1 1 10 10 CYS N N . 105.0 185.0 . . . A . 9 ARG N . . A . 9 ARG CA . . A . 9 ARG C . . A . 10 CYS N . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . c30342_6aza 1 46 PHI . 1 1 9 9 ARG C C . . 1 1 10 10 CYS N N . . 1 1 10 10 CYS CA C . . 1 1 10 10 CYS C C . -175.0 75.0 . . . A . 9 ARG C . . A . 10 CYS N . . A . 10 CYS CA . . A . 10 CYS C . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . c30342_6aza 1 47 PHI . 1 1 9 9 ARG C C . . 1 1 10 10 CYS N N . . 1 1 10 10 CYS CA C . . 1 1 10 10 CYS C C . -255.0 -25.0 . . . A . 9 ARG C . . A . 10 CYS N . . A . 10 CYS CA . . A . 10 CYS C . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . c30342_6aza 1 48 PHI . 1 1 9 9 ARG C C . . 1 1 10 10 CYS N N . . 1 1 10 10 CYS CA C . . 1 1 10 10 CYS C C . -135.0 75.0 . . . A . 9 ARG C . . A . 10 CYS N . . A . 10 CYS CA . . A . 10 CYS C . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . c30342_6aza 1 49 PSI . 1 1 10 10 CYS N N . . 1 1 10 10 CYS CA C . . 1 1 10 10 CYS C C . . 1 1 11 11 ARG N N . -75.0 185.0 . . . A . 10 CYS N . . A . 10 CYS CA . . A . 10 CYS C . . A . 11 ARG N . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . c30342_6aza 1 50 PSI . 1 1 10 10 CYS N N . . 1 1 10 10 CYS CA C . . 1 1 10 10 CYS C C . . 1 1 11 11 ARG N N . 25.0 55.0 . . . A . 10 CYS N . . A . 10 CYS CA . . A . 10 CYS C . . A . 11 ARG N . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . c30342_6aza 1 51 PSI . 1 1 10 10 CYS N N . . 1 1 10 10 CYS CA C . . 1 1 10 10 CYS C C . . 1 1 11 11 ARG N N . 105.0 185.0 . . . A . 10 CYS N . . A . 10 CYS CA . . A . 10 CYS C . . A . 11 ARG N . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . c30342_6aza 1 52 PHI . 1 1 14 14 PRO C C . . 1 1 15 15 ASN N N . . 1 1 15 15 ASN CA C . . 1 1 15 15 ASN C C . -175.0 75.0 . . . A . 14 PRO C . . A . 15 ASN N . . A . 15 ASN CA . . A . 15 ASN C . . . 15 ASN . . . . . . 15 ASN . . . . . . 15 ASN . . . . . . 15 ASN . . . c30342_6aza 1 53 PHI . 1 1 14 14 PRO C C . . 1 1 15 15 ASN N N . . 1 1 15 15 ASN CA C . . 1 1 15 15 ASN C C . -255.0 -25.0 . . . A . 14 PRO C . . A . 15 ASN N . . A . 15 ASN CA . . A . 15 ASN C . . . 15 ASN . . . . . . 15 ASN . . . . . . 15 ASN . . . . . . 15 ASN . . . c30342_6aza 1 54 PHI . 1 1 14 14 PRO C C . . 1 1 15 15 ASN N N . . 1 1 15 15 ASN CA C . . 1 1 15 15 ASN C C . -135.0 75.0 . . . A . 14 PRO C . . A . 15 ASN N . . A . 15 ASN CA . . A . 15 ASN C . . . 15 ASN . . . . . . 15 ASN . . . . . . 15 ASN . . . . . . 15 ASN . . . c30342_6aza 1 55 PSI . 1 1 15 15 ASN N N . . 1 1 15 15 ASN CA C . . 1 1 15 15 ASN C C . . 1 1 16 16 CYS N N . -75.0 185.0 . . . A . 15 ASN N . . A . 15 ASN CA . . A . 15 ASN C . . A . 16 CYS N . . . 15 ASN . . . . . . 15 ASN . . . . . . 15 ASN . . . . . . 15 ASN . . . c30342_6aza 1 56 PSI . 1 1 15 15 ASN N N . . 1 1 15 15 ASN CA C . . 1 1 15 15 ASN C C . . 1 1 16 16 CYS N N . 25.0 55.0 . . . A . 15 ASN N . . A . 15 ASN CA . . A . 15 ASN C . . A . 16 CYS N . . . 15 ASN . . . . . . 15 ASN . . . . . . 15 ASN . . . . . . 15 ASN . . . c30342_6aza 1 57 PSI . 1 1 15 15 ASN N N . . 1 1 15 15 ASN CA C . . 1 1 15 15 ASN C C . . 1 1 16 16 CYS N N . 105.0 185.0 . . . A . 15 ASN N . . A . 15 ASN CA . . A . 15 ASN C . . A . 16 CYS N . . . 15 ASN . . . . . . 15 ASN . . . . . . 15 ASN . . . . . . 15 ASN . . . c30342_6aza 1 58 PHI . 1 1 15 15 ASN C C . . 1 1 16 16 CYS N N . . 1 1 16 16 CYS CA C . . 1 1 16 16 CYS C C . -175.0 75.0 . . . A . 15 ASN C . . A . 16 CYS N . . A . 16 CYS CA . . A . 16 CYS C . . . 16 CYSS . . . . . . 16 CYSS . . . . . . 16 CYSS . . . . . . 16 CYSS . . . c30342_6aza 1 59 PHI . 1 1 15 15 ASN C C . . 1 1 16 16 CYS N N . . 1 1 16 16 CYS CA C . . 1 1 16 16 CYS C C . -255.0 -25.0 . . . A . 15 ASN C . . A . 16 CYS N . . A . 16 CYS CA . . A . 16 CYS C . . . 16 CYSS . . . . . . 16 CYSS . . . . . . 16 CYSS . . . . . . 16 CYSS . . . c30342_6aza 1 60 PHI . 1 1 15 15 ASN C C . . 1 1 16 16 CYS N N . . 1 1 16 16 CYS CA C . . 1 1 16 16 CYS C C . -135.0 75.0 . . . A . 15 ASN C . . A . 16 CYS N . . A . 16 CYS CA . . A . 16 CYS C . . . 16 CYSS . . . . . . 16 CYSS . . . . . . 16 CYSS . . . . . . 16 CYSS . . . c30342_6aza 1 61 PSI . 1 1 16 16 CYS N N . . 1 1 16 16 CYS CA C . . 1 1 16 16 CYS C C . . 1 1 17 17 GLY N N . -75.0 185.0 . . . A . 16 CYS N . . A . 16 CYS CA . . A . 16 CYS C . . A . 17 GLY N . . . 16 CYSS . . . . . . 16 CYSS . . . . . . 16 CYSS . . . . . . 16 CYSS . . . c30342_6aza 1 62 PSI . 1 1 16 16 CYS N N . . 1 1 16 16 CYS CA C . . 1 1 16 16 CYS C C . . 1 1 17 17 GLY N N . 25.0 55.0 . . . A . 16 CYS N . . A . 16 CYS CA . . A . 16 CYS C . . A . 17 GLY N . . . 16 CYSS . . . . . . 16 CYSS . . . . . . 16 CYSS . . . . . . 16 CYSS . . . c30342_6aza 1 63 PSI . 1 1 16 16 CYS N N . . 1 1 16 16 CYS CA C . . 1 1 16 16 CYS C C . . 1 1 17 17 GLY N N . 105.0 185.0 . . . A . 16 CYS N . . A . 16 CYS CA . . A . 16 CYS C . . A . 17 GLY N . . . 16 CYSS . . . . . . 16 CYSS . . . . . . 16 CYSS . . . . . . 16 CYSS . . . c30342_6aza 1 64 CHI1 . 1 1 1 1 ARG N N . . 1 1 1 1 ARG CA C . . 1 1 1 1 ARG CB C . . 1 1 1 1 ARG CG C . -90.0 210.0 . . . A . 1 ARG N . . A . 1 ARG CA . . A . 1 ARG CB . . A . 1 ARG CG . . . 1 ARG . . . . . . 1 ARG . . . . . . 1 ARG . . . . . . 1 ARG . . . c30342_6aza 1 65 CHI1 . 1 1 1 1 ARG N N . . 1 1 1 1 ARG CA C . . 1 1 1 1 ARG CB C . . 1 1 1 1 ARG CG C . -330.0 -30.0 . . . A . 1 ARG N . . A . 1 ARG CA . . A . 1 ARG CB . . A . 1 ARG CG . . . 1 ARG . . . . . . 1 ARG . . . . . . 1 ARG . . . . . . 1 ARG . . . c30342_6aza 1 66 CHI1 . 1 1 1 1 ARG N N . . 1 1 1 1 ARG CA C . . 1 1 1 1 ARG CB C . . 1 1 1 1 ARG CG C . -210.0 90.0 . . . A . 1 ARG N . . A . 1 ARG CA . . A . 1 ARG CB . . A . 1 ARG CG . . . 1 ARG . . . . . . 1 ARG . . . . . . 1 ARG . . . . . . 1 ARG . . . c30342_6aza 1 67 CHI2 . 1 1 1 1 ARG CA C . . 1 1 1 1 ARG CB C . . 1 1 1 1 ARG CG C . . 1 1 1 1 ARG CD C . -90.0 210.0 . . . A . 1 ARG CA . . A . 1 ARG CB . . A . 1 ARG CG . . A . 1 ARG CD . . . 1 ARG . . . . . . 1 ARG . . . . . . 1 ARG . . . . . . 1 ARG . . . c30342_6aza 1 68 CHI2 . 1 1 1 1 ARG CA C . . 1 1 1 1 ARG CB C . . 1 1 1 1 ARG CG C . . 1 1 1 1 ARG CD C . -330.0 -30.0 . . . A . 1 ARG CA . . A . 1 ARG CB . . A . 1 ARG CG . . A . 1 ARG CD . . . 1 ARG . . . . . . 1 ARG . . . . . . 1 ARG . . . . . . 1 ARG . . . c30342_6aza 1 69 CHI2 . 1 1 1 1 ARG CA C . . 1 1 1 1 ARG CB C . . 1 1 1 1 ARG CG C . . 1 1 1 1 ARG CD C . -210.0 90.0 . . . A . 1 ARG CA . . A . 1 ARG CB . . A . 1 ARG CG . . A . 1 ARG CD . . . 1 ARG . . . . . . 1 ARG . . . . . . 1 ARG . . . . . . 1 ARG . . . c30342_6aza 1 70 CHI3 . 1 1 1 1 ARG CB C . . 1 1 1 1 ARG CG C . . 1 1 1 1 ARG CD C . . 1 1 1 1 ARG NE N . -90.0 210.0 . . . A . 1 ARG CB . . A . 1 ARG CG . . A . 1 ARG CD . . A . 1 ARG NE . . . 1 ARG . . . . . . 1 ARG . . . . . . 1 ARG . . . . . . 1 ARG . . . c30342_6aza 1 71 CHI3 . 1 1 1 1 ARG CB C . . 1 1 1 1 ARG CG C . . 1 1 1 1 ARG CD C . . 1 1 1 1 ARG NE N . -330.0 -30.0 . . . A . 1 ARG CB . . A . 1 ARG CG . . A . 1 ARG CD . . A . 1 ARG NE . . . 1 ARG . . . . . . 1 ARG . . . . . . 1 ARG . . . . . . 1 ARG . . . c30342_6aza 1 72 CHI3 . 1 1 1 1 ARG CB C . . 1 1 1 1 ARG CG C . . 1 1 1 1 ARG CD C . . 1 1 1 1 ARG NE N . -210.0 90.0 . . . A . 1 ARG CB . . A . 1 ARG CG . . A . 1 ARG CD . . A . 1 ARG NE . . . 1 ARG . . . . . . 1 ARG . . . . . . 1 ARG . . . . . . 1 ARG . . . c30342_6aza 1 73 CHI1 . 1 1 2 2 CYS N N . . 1 1 2 2 CYS CA C . . 1 1 2 2 CYS CB C . . 1 1 2 2 CYS SG S . -90.0 210.0 . . . A . 2 CYS N . . A . 2 CYS CA . . A . 2 CYS CB . . A . 2 CYS SG . . . 2 CYSS . . . . . . 2 CYSS . . . . . . 2 CYSS . . . . . . 2 CYSS . . . c30342_6aza 1 74 CHI1 . 1 1 2 2 CYS N N . . 1 1 2 2 CYS CA C . . 1 1 2 2 CYS CB C . . 1 1 2 2 CYS SG S . -330.0 -30.0 . . . A . 2 CYS N . . A . 2 CYS CA . . A . 2 CYS CB . . A . 2 CYS SG . . . 2 CYSS . . . . . . 2 CYSS . . . . . . 2 CYSS . . . . . . 2 CYSS . . . c30342_6aza 1 75 CHI1 . 1 1 2 2 CYS N N . . 1 1 2 2 CYS CA C . . 1 1 2 2 CYS CB C . . 1 1 2 2 CYS SG S . -210.0 90.0 . . . A . 2 CYS N . . A . 2 CYS CA . . A . 2 CYS CB . . A . 2 CYS SG . . . 2 CYSS . . . . . . 2 CYSS . . . . . . 2 CYSS . . . . . . 2 CYSS . . . c30342_6aza 1 76 CHI1 . 1 1 3 3 LYS N N . . 1 1 3 3 LYS CA C . . 1 1 3 3 LYS CB C . . 1 1 3 3 LYS CG C . -90.0 210.0 . . . A . 3 LYS N . . A . 3 LYS CA . . A . 3 LYS CB . . A . 3 LYS CG . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . c30342_6aza 1 77 CHI1 . 1 1 3 3 LYS N N . . 1 1 3 3 LYS CA C . . 1 1 3 3 LYS CB C . . 1 1 3 3 LYS CG C . -330.0 -30.0 . . . A . 3 LYS N . . A . 3 LYS CA . . A . 3 LYS CB . . A . 3 LYS CG . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . c30342_6aza 1 78 CHI1 . 1 1 3 3 LYS N N . . 1 1 3 3 LYS CA C . . 1 1 3 3 LYS CB C . . 1 1 3 3 LYS CG C . -210.0 90.0 . . . A . 3 LYS N . . A . 3 LYS CA . . A . 3 LYS CB . . A . 3 LYS CG . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . c30342_6aza 1 79 CHI2 . 1 1 3 3 LYS CA C . . 1 1 3 3 LYS CB C . . 1 1 3 3 LYS CG C . . 1 1 3 3 LYS CD C . -90.0 210.0 . . . A . 3 LYS CA . . A . 3 LYS CB . . A . 3 LYS CG . . A . 3 LYS CD . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . c30342_6aza 1 80 CHI2 . 1 1 3 3 LYS CA C . . 1 1 3 3 LYS CB C . . 1 1 3 3 LYS CG C . . 1 1 3 3 LYS CD C . -330.0 -30.0 . . . A . 3 LYS CA . . A . 3 LYS CB . . A . 3 LYS CG . . A . 3 LYS CD . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . c30342_6aza 1 81 CHI2 . 1 1 3 3 LYS CA C . . 1 1 3 3 LYS CB C . . 1 1 3 3 LYS CG C . . 1 1 3 3 LYS CD C . -210.0 90.0 . . . A . 3 LYS CA . . A . 3 LYS CB . . A . 3 LYS CG . . A . 3 LYS CD . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . c30342_6aza 1 82 CHI3 . 1 1 3 3 LYS CB C . . 1 1 3 3 LYS CG C . . 1 1 3 3 LYS CD C . . 1 1 3 3 LYS CE C . -90.0 210.0 . . . A . 3 LYS CB . . A . 3 LYS CG . . A . 3 LYS CD . . A . 3 LYS CE . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . c30342_6aza 1 83 CHI3 . 1 1 3 3 LYS CB C . . 1 1 3 3 LYS CG C . . 1 1 3 3 LYS CD C . . 1 1 3 3 LYS CE C . -330.0 -30.0 . . . A . 3 LYS CB . . A . 3 LYS CG . . A . 3 LYS CD . . A . 3 LYS CE . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . c30342_6aza 1 84 CHI3 . 1 1 3 3 LYS CB C . . 1 1 3 3 LYS CG C . . 1 1 3 3 LYS CD C . . 1 1 3 3 LYS CE C . -210.0 90.0 . . . A . 3 LYS CB . . A . 3 LYS CG . . A . 3 LYS CD . . A . 3 LYS CE . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . c30342_6aza 1 85 CHI4 . 1 1 3 3 LYS CG C . . 1 1 3 3 LYS CD C . . 1 1 3 3 LYS CE C . . 1 1 3 3 LYS NZ N . -90.0 210.0 . . . A . 3 LYS CG . . A . 3 LYS CD . . A . 3 LYS CE . . A . 3 LYS NZ . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . c30342_6aza 1 86 CHI4 . 1 1 3 3 LYS CG C . . 1 1 3 3 LYS CD C . . 1 1 3 3 LYS CE C . . 1 1 3 3 LYS NZ N . -330.0 -30.0 . . . A . 3 LYS CG . . A . 3 LYS CD . . A . 3 LYS CE . . A . 3 LYS NZ . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . c30342_6aza 1 87 CHI4 . 1 1 3 3 LYS CG C . . 1 1 3 3 LYS CD C . . 1 1 3 3 LYS CE C . . 1 1 3 3 LYS NZ N . -210.0 90.0 . . . A . 3 LYS CG . . A . 3 LYS CD . . A . 3 LYS CE . . A . 3 LYS NZ . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . c30342_6aza 1 88 CHI1 . 1 1 4 4 THR N N . . 1 1 4 4 THR CA C . . 1 1 4 4 THR CB C . . 1 1 4 4 THR OG1 O . -90.0 210.0 . . . A . 4 THR N . . A . 4 THR CA . . A . 4 THR CB . . A . 4 THR OG1 . . . 4 THR . . . . . . 4 THR . . . . . . 4 THR . . . . . . 4 THR . . . c30342_6aza 1 89 CHI1 . 1 1 4 4 THR N N . . 1 1 4 4 THR CA C . . 1 1 4 4 THR CB C . . 1 1 4 4 THR OG1 O . -330.0 -30.0 . . . A . 4 THR N . . A . 4 THR CA . . A . 4 THR CB . . A . 4 THR OG1 . . . 4 THR . . . . . . 4 THR . . . . . . 4 THR . . . . . . 4 THR . . . c30342_6aza 1 90 CHI1 . 1 1 4 4 THR N N . . 1 1 4 4 THR CA C . . 1 1 4 4 THR CB C . . 1 1 4 4 THR OG1 O . -210.0 90.0 . . . A . 4 THR N . . A . 4 THR CA . . A . 4 THR CB . . A . 4 THR OG1 . . . 4 THR . . . . . . 4 THR . . . . . . 4 THR . . . . . . 4 THR . . . c30342_6aza 1 91 CHI1 . 1 1 5 5 CYS N N . . 1 1 5 5 CYS CA C . . 1 1 5 5 CYS CB C . . 1 1 5 5 CYS SG S . -90.0 210.0 . . . A . 5 CYS N . . A . 5 CYS CA . . A . 5 CYS CB . . A . 5 CYS SG . . . 5 CYSS . . . . . . 5 CYSS . . . . . . 5 CYSS . . . . . . 5 CYSS . . . c30342_6aza 1 92 CHI1 . 1 1 5 5 CYS N N . . 1 1 5 5 CYS CA C . . 1 1 5 5 CYS CB C . . 1 1 5 5 CYS SG S . -330.0 -30.0 . . . A . 5 CYS N . . A . 5 CYS CA . . A . 5 CYS CB . . A . 5 CYS SG . . . 5 CYSS . . . . . . 5 CYSS . . . . . . 5 CYSS . . . . . . 5 CYSS . . . c30342_6aza 1 93 CHI1 . 1 1 5 5 CYS N N . . 1 1 5 5 CYS CA C . . 1 1 5 5 CYS CB C . . 1 1 5 5 CYS SG S . -210.0 90.0 . . . A . 5 CYS N . . A . 5 CYS CA . . A . 5 CYS CB . . A . 5 CYS SG . . . 5 CYSS . . . . . . 5 CYSS . . . . . . 5 CYSS . . . . . . 5 CYSS . . . c30342_6aza 1 94 CHI1 . 1 1 6 6 SER N N . . 1 1 6 6 SER CA C . . 1 1 6 6 SER CB C . . 1 1 6 6 SER OG O . -90.0 210.0 . . . A . 6 SER N . . A . 6 SER CA . . A . 6 SER CB . . A . 6 SER OG . . . 6 SER . . . . . . 6 SER . . . . . . 6 SER . . . . . . 6 SER . . . c30342_6aza 1 95 CHI1 . 1 1 6 6 SER N N . . 1 1 6 6 SER CA C . . 1 1 6 6 SER CB C . . 1 1 6 6 SER OG O . -330.0 -30.0 . . . A . 6 SER N . . A . 6 SER CA . . A . 6 SER CB . . A . 6 SER OG . . . 6 SER . . . . . . 6 SER . . . . . . 6 SER . . . . . . 6 SER . . . c30342_6aza 1 96 CHI1 . 1 1 6 6 SER N N . . 1 1 6 6 SER CA C . . 1 1 6 6 SER CB C . . 1 1 6 6 SER OG O . -210.0 90.0 . . . A . 6 SER N . . A . 6 SER CA . . A . 6 SER CB . . A . 6 SER OG . . . 6 SER . . . . . . 6 SER . . . . . . 6 SER . . . . . . 6 SER . . . c30342_6aza 1 97 CHI1 . 1 1 7 7 LYS N N . . 1 1 7 7 LYS CA C . . 1 1 7 7 LYS CB C . . 1 1 7 7 LYS CG C . -90.0 210.0 . . . A . 7 LYS N . . A . 7 LYS CA . . A . 7 LYS CB . . A . 7 LYS CG . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . c30342_6aza 1 98 CHI1 . 1 1 7 7 LYS N N . . 1 1 7 7 LYS CA C . . 1 1 7 7 LYS CB C . . 1 1 7 7 LYS CG C . -330.0 -30.0 . . . A . 7 LYS N . . A . 7 LYS CA . . A . 7 LYS CB . . A . 7 LYS CG . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . c30342_6aza 1 99 CHI1 . 1 1 7 7 LYS N N . . 1 1 7 7 LYS CA C . . 1 1 7 7 LYS CB C . . 1 1 7 7 LYS CG C . -210.0 90.0 . . . A . 7 LYS N . . A . 7 LYS CA . . A . 7 LYS CB . . A . 7 LYS CG . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . c30342_6aza 1 100 CHI2 . 1 1 7 7 LYS CA C . . 1 1 7 7 LYS CB C . . 1 1 7 7 LYS CG C . . 1 1 7 7 LYS CD C . -90.0 210.0 . . . A . 7 LYS CA . . A . 7 LYS CB . . A . 7 LYS CG . . A . 7 LYS CD . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . c30342_6aza 1 101 CHI2 . 1 1 7 7 LYS CA C . . 1 1 7 7 LYS CB C . . 1 1 7 7 LYS CG C . . 1 1 7 7 LYS CD C . -330.0 -30.0 . . . A . 7 LYS CA . . A . 7 LYS CB . . A . 7 LYS CG . . A . 7 LYS CD . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . c30342_6aza 1 102 CHI2 . 1 1 7 7 LYS CA C . . 1 1 7 7 LYS CB C . . 1 1 7 7 LYS CG C . . 1 1 7 7 LYS CD C . -210.0 90.0 . . . A . 7 LYS CA . . A . 7 LYS CB . . A . 7 LYS CG . . A . 7 LYS CD . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . c30342_6aza 1 103 CHI3 . 1 1 7 7 LYS CB C . . 1 1 7 7 LYS CG C . . 1 1 7 7 LYS CD C . . 1 1 7 7 LYS CE C . -90.0 210.0 . . . A . 7 LYS CB . . A . 7 LYS CG . . A . 7 LYS CD . . A . 7 LYS CE . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . c30342_6aza 1 104 CHI3 . 1 1 7 7 LYS CB C . . 1 1 7 7 LYS CG C . . 1 1 7 7 LYS CD C . . 1 1 7 7 LYS CE C . -330.0 -30.0 . . . A . 7 LYS CB . . A . 7 LYS CG . . A . 7 LYS CD . . A . 7 LYS CE . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . c30342_6aza 1 105 CHI3 . 1 1 7 7 LYS CB C . . 1 1 7 7 LYS CG C . . 1 1 7 7 LYS CD C . . 1 1 7 7 LYS CE C . -210.0 90.0 . . . A . 7 LYS CB . . A . 7 LYS CG . . A . 7 LYS CD . . A . 7 LYS CE . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . c30342_6aza 1 106 CHI4 . 1 1 7 7 LYS CG C . . 1 1 7 7 LYS CD C . . 1 1 7 7 LYS CE C . . 1 1 7 7 LYS NZ N . -90.0 210.0 . . . A . 7 LYS CG . . A . 7 LYS CD . . A . 7 LYS CE . . A . 7 LYS NZ . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . c30342_6aza 1 107 CHI4 . 1 1 7 7 LYS CG C . . 1 1 7 7 LYS CD C . . 1 1 7 7 LYS CE C . . 1 1 7 7 LYS NZ N . -330.0 -30.0 . . . A . 7 LYS CG . . A . 7 LYS CD . . A . 7 LYS CE . . A . 7 LYS NZ . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . c30342_6aza 1 108 CHI4 . 1 1 7 7 LYS CG C . . 1 1 7 7 LYS CD C . . 1 1 7 7 LYS CE C . . 1 1 7 7 LYS NZ N . -210.0 90.0 . . . A . 7 LYS CG . . A . 7 LYS CD . . A . 7 LYS CE . . A . 7 LYS NZ . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . . . . 7 LYS . . . c30342_6aza 1 109 CHI1 . 1 1 9 9 ARG N N . . 1 1 9 9 ARG CA C . . 1 1 9 9 ARG CB C . . 1 1 9 9 ARG CG C . -90.0 210.0 . . . A . 9 ARG N . . A . 9 ARG CA . . A . 9 ARG CB . . A . 9 ARG CG . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . c30342_6aza 1 110 CHI1 . 1 1 9 9 ARG N N . . 1 1 9 9 ARG CA C . . 1 1 9 9 ARG CB C . . 1 1 9 9 ARG CG C . -330.0 -30.0 . . . A . 9 ARG N . . A . 9 ARG CA . . A . 9 ARG CB . . A . 9 ARG CG . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . c30342_6aza 1 111 CHI1 . 1 1 9 9 ARG N N . . 1 1 9 9 ARG CA C . . 1 1 9 9 ARG CB C . . 1 1 9 9 ARG CG C . -210.0 90.0 . . . A . 9 ARG N . . A . 9 ARG CA . . A . 9 ARG CB . . A . 9 ARG CG . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . c30342_6aza 1 112 CHI2 . 1 1 9 9 ARG CA C . . 1 1 9 9 ARG CB C . . 1 1 9 9 ARG CG C . . 1 1 9 9 ARG CD C . -90.0 210.0 . . . A . 9 ARG CA . . A . 9 ARG CB . . A . 9 ARG CG . . A . 9 ARG CD . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . c30342_6aza 1 113 CHI2 . 1 1 9 9 ARG CA C . . 1 1 9 9 ARG CB C . . 1 1 9 9 ARG CG C . . 1 1 9 9 ARG CD C . -330.0 -30.0 . . . A . 9 ARG CA . . A . 9 ARG CB . . A . 9 ARG CG . . A . 9 ARG CD . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . c30342_6aza 1 114 CHI2 . 1 1 9 9 ARG CA C . . 1 1 9 9 ARG CB C . . 1 1 9 9 ARG CG C . . 1 1 9 9 ARG CD C . -210.0 90.0 . . . A . 9 ARG CA . . A . 9 ARG CB . . A . 9 ARG CG . . A . 9 ARG CD . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . c30342_6aza 1 115 CHI3 . 1 1 9 9 ARG CB C . . 1 1 9 9 ARG CG C . . 1 1 9 9 ARG CD C . . 1 1 9 9 ARG NE N . -90.0 210.0 . . . A . 9 ARG CB . . A . 9 ARG CG . . A . 9 ARG CD . . A . 9 ARG NE . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . c30342_6aza 1 116 CHI3 . 1 1 9 9 ARG CB C . . 1 1 9 9 ARG CG C . . 1 1 9 9 ARG CD C . . 1 1 9 9 ARG NE N . -330.0 -30.0 . . . A . 9 ARG CB . . A . 9 ARG CG . . A . 9 ARG CD . . A . 9 ARG NE . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . c30342_6aza 1 117 CHI3 . 1 1 9 9 ARG CB C . . 1 1 9 9 ARG CG C . . 1 1 9 9 ARG CD C . . 1 1 9 9 ARG NE N . -210.0 90.0 . . . A . 9 ARG CB . . A . 9 ARG CG . . A . 9 ARG CD . . A . 9 ARG NE . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . c30342_6aza 1 118 CHI1 . 1 1 10 10 CYS N N . . 1 1 10 10 CYS CA C . . 1 1 10 10 CYS CB C . . 1 1 10 10 CYS SG S . -90.0 210.0 . . . A . 10 CYS N . . A . 10 CYS CA . . A . 10 CYS CB . . A . 10 CYS SG . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . c30342_6aza 1 119 CHI1 . 1 1 10 10 CYS N N . . 1 1 10 10 CYS CA C . . 1 1 10 10 CYS CB C . . 1 1 10 10 CYS SG S . -330.0 -30.0 . . . A . 10 CYS N . . A . 10 CYS CA . . A . 10 CYS CB . . A . 10 CYS SG . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . c30342_6aza 1 120 CHI1 . 1 1 10 10 CYS N N . . 1 1 10 10 CYS CA C . . 1 1 10 10 CYS CB C . . 1 1 10 10 CYS SG S . -210.0 90.0 . . . A . 10 CYS N . . A . 10 CYS CA . . A . 10 CYS CB . . A . 10 CYS SG . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . c30342_6aza 1 121 CHI1 . 1 1 11 11 ARG N N . . 1 1 11 11 ARG CA C . . 1 1 11 11 ARG CB C . . 1 1 11 11 ARG CG C . -90.0 210.0 . . . A . 11 ARG N . . A . 11 ARG CA . . A . 11 ARG CB . . A . 11 ARG CG . . . 11 ARG . . . . . . 11 ARG . . . . . . 11 ARG . . . . . . 11 ARG . . . c30342_6aza 1 122 CHI1 . 1 1 11 11 ARG N N . . 1 1 11 11 ARG CA C . . 1 1 11 11 ARG CB C . . 1 1 11 11 ARG CG C . -330.0 -30.0 . . . A . 11 ARG N . . A . 11 ARG CA . . A . 11 ARG CB . . A . 11 ARG CG . . . 11 ARG . . . . . . 11 ARG . . . . . . 11 ARG . . . . . . 11 ARG . . . c30342_6aza 1 123 CHI1 . 1 1 11 11 ARG N N . . 1 1 11 11 ARG CA C . . 1 1 11 11 ARG CB C . . 1 1 11 11 ARG CG C . -210.0 90.0 . . . A . 11 ARG N . . A . 11 ARG CA . . A . 11 ARG CB . . A . 11 ARG CG . . . 11 ARG . . . . . . 11 ARG . . . . . . 11 ARG . . . . . . 11 ARG . . . c30342_6aza 1 124 CHI2 . 1 1 11 11 ARG CA C . . 1 1 11 11 ARG CB C . . 1 1 11 11 ARG CG C . . 1 1 11 11 ARG CD C . -90.0 210.0 . . . A . 11 ARG CA . . A . 11 ARG CB . . A . 11 ARG CG . . A . 11 ARG CD . . . 11 ARG . . . . . . 11 ARG . . . . . . 11 ARG . . . . . . 11 ARG . . . c30342_6aza 1 125 CHI2 . 1 1 11 11 ARG CA C . . 1 1 11 11 ARG CB C . . 1 1 11 11 ARG CG C . . 1 1 11 11 ARG CD C . -330.0 -30.0 . . . A . 11 ARG CA . . A . 11 ARG CB . . A . 11 ARG CG . . A . 11 ARG CD . . . 11 ARG . . . . . . 11 ARG . . . . . . 11 ARG . . . . . . 11 ARG . . . c30342_6aza 1 126 CHI2 . 1 1 11 11 ARG CA C . . 1 1 11 11 ARG CB C . . 1 1 11 11 ARG CG C . . 1 1 11 11 ARG CD C . -210.0 90.0 . . . A . 11 ARG CA . . A . 11 ARG CB . . A . 11 ARG CG . . A . 11 ARG CD . . . 11 ARG . . . . . . 11 ARG . . . . . . 11 ARG . . . . . . 11 ARG . . . c30342_6aza 1 127 CHI3 . 1 1 11 11 ARG CB C . . 1 1 11 11 ARG CG C . . 1 1 11 11 ARG CD C . . 1 1 11 11 ARG NE N . -90.0 210.0 . . . A . 11 ARG CB . . A . 11 ARG CG . . A . 11 ARG CD . . A . 11 ARG NE . . . 11 ARG . . . . . . 11 ARG . . . . . . 11 ARG . . . . . . 11 ARG . . . c30342_6aza 1 128 CHI3 . 1 1 11 11 ARG CB C . . 1 1 11 11 ARG CG C . . 1 1 11 11 ARG CD C . . 1 1 11 11 ARG NE N . -330.0 -30.0 . . . A . 11 ARG CB . . A . 11 ARG CG . . A . 11 ARG CD . . A . 11 ARG NE . . . 11 ARG . . . . . . 11 ARG . . . . . . 11 ARG . . . . . . 11 ARG . . . c30342_6aza 1 129 CHI3 . 1 1 11 11 ARG CB C . . 1 1 11 11 ARG CG C . . 1 1 11 11 ARG CD C . . 1 1 11 11 ARG NE N . -210.0 90.0 . . . A . 11 ARG CB . . A . 11 ARG CG . . A . 11 ARG CD . . A . 11 ARG NE . . . 11 ARG . . . . . . 11 ARG . . . . . . 11 ARG . . . . . . 11 ARG . . . c30342_6aza 1 130 CHI1 . 1 1 13 13 LYS N N . . 1 1 13 13 LYS CA C . . 1 1 13 13 LYS CB C . . 1 1 13 13 LYS CG C . -90.0 210.0 . . . A . 13 LYS N . . A . 13 LYS CA . . A . 13 LYS CB . . A . 13 LYS CG . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . c30342_6aza 1 131 CHI1 . 1 1 13 13 LYS N N . . 1 1 13 13 LYS CA C . . 1 1 13 13 LYS CB C . . 1 1 13 13 LYS CG C . -330.0 -30.0 . . . A . 13 LYS N . . A . 13 LYS CA . . A . 13 LYS CB . . A . 13 LYS CG . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . c30342_6aza 1 132 CHI1 . 1 1 13 13 LYS N N . . 1 1 13 13 LYS CA C . . 1 1 13 13 LYS CB C . . 1 1 13 13 LYS CG C . -210.0 90.0 . . . A . 13 LYS N . . A . 13 LYS CA . . A . 13 LYS CB . . A . 13 LYS CG . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . c30342_6aza 1 133 CHI2 . 1 1 13 13 LYS CA C . . 1 1 13 13 LYS CB C . . 1 1 13 13 LYS CG C . . 1 1 13 13 LYS CD C . -90.0 210.0 . . . A . 13 LYS CA . . A . 13 LYS CB . . A . 13 LYS CG . . A . 13 LYS CD . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . c30342_6aza 1 134 CHI2 . 1 1 13 13 LYS CA C . . 1 1 13 13 LYS CB C . . 1 1 13 13 LYS CG C . . 1 1 13 13 LYS CD C . -330.0 -30.0 . . . A . 13 LYS CA . . A . 13 LYS CB . . A . 13 LYS CG . . A . 13 LYS CD . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . c30342_6aza 1 135 CHI2 . 1 1 13 13 LYS CA C . . 1 1 13 13 LYS CB C . . 1 1 13 13 LYS CG C . . 1 1 13 13 LYS CD C . -210.0 90.0 . . . A . 13 LYS CA . . A . 13 LYS CB . . A . 13 LYS CG . . A . 13 LYS CD . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . c30342_6aza 1 136 CHI3 . 1 1 13 13 LYS CB C . . 1 1 13 13 LYS CG C . . 1 1 13 13 LYS CD C . . 1 1 13 13 LYS CE C . -90.0 210.0 . . . A . 13 LYS CB . . A . 13 LYS CG . . A . 13 LYS CD . . A . 13 LYS CE . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . c30342_6aza 1 137 CHI3 . 1 1 13 13 LYS CB C . . 1 1 13 13 LYS CG C . . 1 1 13 13 LYS CD C . . 1 1 13 13 LYS CE C . -330.0 -30.0 . . . A . 13 LYS CB . . A . 13 LYS CG . . A . 13 LYS CD . . A . 13 LYS CE . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . c30342_6aza 1 138 CHI3 . 1 1 13 13 LYS CB C . . 1 1 13 13 LYS CG C . . 1 1 13 13 LYS CD C . . 1 1 13 13 LYS CE C . -210.0 90.0 . . . A . 13 LYS CB . . A . 13 LYS CG . . A . 13 LYS CD . . A . 13 LYS CE . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . c30342_6aza 1 139 CHI4 . 1 1 13 13 LYS CG C . . 1 1 13 13 LYS CD C . . 1 1 13 13 LYS CE C . . 1 1 13 13 LYS NZ N . -90.0 210.0 . . . A . 13 LYS CG . . A . 13 LYS CD . . A . 13 LYS CE . . A . 13 LYS NZ . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . c30342_6aza 1 140 CHI4 . 1 1 13 13 LYS CG C . . 1 1 13 13 LYS CD C . . 1 1 13 13 LYS CE C . . 1 1 13 13 LYS NZ N . -330.0 -30.0 . . . A . 13 LYS CG . . A . 13 LYS CD . . A . 13 LYS CE . . A . 13 LYS NZ . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . c30342_6aza 1 141 CHI4 . 1 1 13 13 LYS CG C . . 1 1 13 13 LYS CD C . . 1 1 13 13 LYS CE C . . 1 1 13 13 LYS NZ N . -210.0 90.0 . . . A . 13 LYS CG . . A . 13 LYS CD . . A . 13 LYS CE . . A . 13 LYS NZ . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . c30342_6aza 1 142 CHI1 . 1 1 15 15 ASN N N . . 1 1 15 15 ASN CA C . . 1 1 15 15 ASN CB C . . 1 1 15 15 ASN CG C . -90.0 210.0 . . . A . 15 ASN N . . A . 15 ASN CA . . A . 15 ASN CB . . A . 15 ASN CG . . . 15 ASN . . . . . . 15 ASN . . . . . . 15 ASN . . . . . . 15 ASN . . . c30342_6aza 1 143 CHI1 . 1 1 15 15 ASN N N . . 1 1 15 15 ASN CA C . . 1 1 15 15 ASN CB C . . 1 1 15 15 ASN CG C . -330.0 -30.0 . . . A . 15 ASN N . . A . 15 ASN CA . . A . 15 ASN CB . . A . 15 ASN CG . . . 15 ASN . . . . . . 15 ASN . . . . . . 15 ASN . . . . . . 15 ASN . . . c30342_6aza 1 144 CHI1 . 1 1 15 15 ASN N N . . 1 1 15 15 ASN CA C . . 1 1 15 15 ASN CB C . . 1 1 15 15 ASN CG C . -210.0 90.0 . . . A . 15 ASN N . . A . 15 ASN CA . . A . 15 ASN CB . . A . 15 ASN CG . . . 15 ASN . . . . . . 15 ASN . . . . . . 15 ASN . . . . . . 15 ASN . . . c30342_6aza 1 145 CHI1 . 1 1 16 16 CYS N N . . 1 1 16 16 CYS CA C . . 1 1 16 16 CYS CB C . . 1 1 16 16 CYS SG S . -90.0 210.0 . . . A . 16 CYS N . . A . 16 CYS CA . . A . 16 CYS CB . . A . 16 CYS SG . . . 16 CYSS . . . . . . 16 CYSS . . . . . . 16 CYSS . . . . . . 16 CYSS . . . c30342_6aza 1 146 CHI1 . 1 1 16 16 CYS N N . . 1 1 16 16 CYS CA C . . 1 1 16 16 CYS CB C . . 1 1 16 16 CYS SG S . -330.0 -30.0 . . . A . 16 CYS N . . A . 16 CYS CA . . A . 16 CYS CB . . A . 16 CYS SG . . . 16 CYSS . . . . . . 16 CYSS . . . . . . 16 CYSS . . . . . . 16 CYSS . . . c30342_6aza 1 147 CHI1 . 1 1 16 16 CYS N N . . 1 1 16 16 CYS CA C . . 1 1 16 16 CYS CB C . . 1 1 16 16 CYS SG S . -210.0 90.0 . . . A . 16 CYS N . . A . 16 CYS CA . . A . 16 CYS CB . . A . 16 CYS SG . . . 16 CYSS . . . . . . 16 CYSS . . . . . . 16 CYSS . . . . . . 16 CYSS . . . c30342_6aza 1 stop_ loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 type=2 2 43 2 49 c30342_6aza 1 2 type=2 3 43 3 49 c30342_6aza 1 3 'type=2 OR' 4 43 4 52 c30342_6aza 1 4 type=2 5 43 5 49 c30342_6aza 1 5 'type=2 OR' 6 43 6 52 c30342_6aza 1 6 type=2 7 43 7 49 c30342_6aza 1 7 type=2 8 43 8 49 c30342_6aza 1 8 type=2 9 43 9 49 c30342_6aza 1 9 'type=2 OR' 10 43 10 52 c30342_6aza 1 10 type=2 11 43 11 49 c30342_6aza 1 11 'type=2 OR' 12 43 12 52 c30342_6aza 1 12 type=2 13 43 13 49 c30342_6aza 1 13 type=2 14 43 14 49 c30342_6aza 1 14 type=2 15 43 15 49 c30342_6aza 1 15 'type=2 OR' 16 43 16 52 c30342_6aza 1 16 type=2 17 43 17 49 c30342_6aza 1 17 'type=2 OR' 18 43 18 52 c30342_6aza 1 18 type=2 19 43 19 49 c30342_6aza 1 19 type=2 20 43 20 49 c30342_6aza 1 20 type=2 21 43 21 49 c30342_6aza 1 21 'type=2 OR' 22 43 22 52 c30342_6aza 1 22 type=2 23 43 23 49 c30342_6aza 1 23 'type=2 OR' 24 43 24 52 c30342_6aza 1 24 type=2 25 43 25 49 c30342_6aza 1 25 type=2 26 43 26 49 c30342_6aza 1 26 type=2 27 43 27 49 c30342_6aza 1 27 'type=2 OR' 28 43 28 52 c30342_6aza 1 28 type=2 29 43 29 49 c30342_6aza 1 29 'type=2 OR' 30 43 30 52 c30342_6aza 1 30 type=2 31 43 31 49 c30342_6aza 1 31 type=2 32 43 32 49 c30342_6aza 1 32 type=2 33 43 33 49 c30342_6aza 1 33 'type=2 OR' 34 43 34 52 c30342_6aza 1 34 type=2 35 43 35 49 c30342_6aza 1 35 'type=2 OR' 36 43 36 52 c30342_6aza 1 36 type=2 37 43 37 49 c30342_6aza 1 37 type=2 38 43 38 49 c30342_6aza 1 38 type=2 39 43 39 49 c30342_6aza 1 39 'type=2 OR' 40 43 40 52 c30342_6aza 1 40 type=2 41 43 41 49 c30342_6aza 1 41 'type=2 OR' 42 43 42 52 c30342_6aza 1 42 type=2 43 43 43 49 c30342_6aza 1 43 type=2 44 43 44 49 c30342_6aza 1 44 type=2 45 43 45 49 c30342_6aza 1 45 'type=2 OR' 46 43 46 52 c30342_6aza 1 46 type=2 47 43 47 49 c30342_6aza 1 47 'type=2 OR' 48 43 48 52 c30342_6aza 1 48 type=2 49 43 49 49 c30342_6aza 1 49 type=2 50 43 50 49 c30342_6aza 1 50 type=2 51 43 51 49 c30342_6aza 1 51 'type=2 OR' 52 43 52 52 c30342_6aza 1 52 type=2 53 43 53 49 c30342_6aza 1 53 'type=2 OR' 54 43 54 52 c30342_6aza 1 54 type=2 55 43 55 49 c30342_6aza 1 55 type=2 56 43 56 49 c30342_6aza 1 56 type=2 57 43 57 49 c30342_6aza 1 57 'type=2 OR' 58 43 58 52 c30342_6aza 1 58 type=2 59 43 59 49 c30342_6aza 1 59 'type=2 OR' 60 43 60 52 c30342_6aza 1 60 type=2 61 43 61 49 c30342_6aza 1 61 type=2 62 43 62 49 c30342_6aza 1 62 type=2 63 43 63 49 c30342_6aza 1 63 'type=2 OR' 64 43 64 52 c30342_6aza 1 64 type=2 65 43 65 49 c30342_6aza 1 65 'type=2 OR' 66 43 66 52 c30342_6aza 1 66 type=2 67 43 67 49 c30342_6aza 1 67 type=2 68 43 68 49 c30342_6aza 1 68 type=2 69 43 69 49 c30342_6aza 1 69 type=2 70 43 70 49 c30342_6aza 1 70 type=2 71 43 71 49 c30342_6aza 1 71 type=2 72 43 72 49 c30342_6aza 1 72 type=2 73 43 73 49 c30342_6aza 1 73 type=2 74 43 74 49 c30342_6aza 1 74 type=2 75 43 75 49 c30342_6aza 1 75 type=2 76 43 76 49 c30342_6aza 1 76 type=2 77 43 77 49 c30342_6aza 1 77 type=2 78 43 78 49 c30342_6aza 1 78 type=2 79 43 79 49 c30342_6aza 1 79 type=2 80 43 80 49 c30342_6aza 1 80 type=2 81 43 81 49 c30342_6aza 1 81 type=2 82 43 82 49 c30342_6aza 1 82 type=2 83 43 83 49 c30342_6aza 1 83 type=2 84 43 84 49 c30342_6aza 1 84 type=2 85 43 85 49 c30342_6aza 1 85 type=2 86 43 86 49 c30342_6aza 1 86 type=2 87 43 87 49 c30342_6aza 1 87 type=2 88 43 88 49 c30342_6aza 1 88 type=2 89 43 89 49 c30342_6aza 1 89 type=2 90 43 90 49 c30342_6aza 1 90 type=2 91 43 91 49 c30342_6aza 1 91 type=2 92 43 92 49 c30342_6aza 1 92 type=2 93 43 93 49 c30342_6aza 1 93 type=2 94 43 94 49 c30342_6aza 1 94 type=2 95 43 95 49 c30342_6aza 1 95 type=2 96 43 96 49 c30342_6aza 1 96 type=2 97 43 97 49 c30342_6aza 1 97 type=2 98 43 98 49 c30342_6aza 1 98 type=2 99 43 99 49 c30342_6aza 1 99 type=2 100 43 100 49 c30342_6aza 1 100 type=2 101 43 101 49 c30342_6aza 1 101 type=2 102 43 102 49 c30342_6aza 1 102 type=2 103 43 103 49 c30342_6aza 1 103 type=2 104 43 104 49 c30342_6aza 1 104 type=2 105 43 105 49 c30342_6aza 1 105 type=2 106 43 106 49 c30342_6aza 1 106 type=2 107 43 107 49 c30342_6aza 1 107 type=2 108 43 108 49 c30342_6aza 1 108 type=2 109 43 109 49 c30342_6aza 1 109 type=2 110 43 110 49 c30342_6aza 1 110 type=2 111 43 111 49 c30342_6aza 1 111 type=2 112 43 112 49 c30342_6aza 1 112 type=2 113 43 113 49 c30342_6aza 1 113 type=2 114 43 114 49 c30342_6aza 1 114 type=2 115 43 115 49 c30342_6aza 1 115 type=2 116 43 116 49 c30342_6aza 1 116 type=2 117 43 117 49 c30342_6aza 1 117 type=2 118 43 118 49 c30342_6aza 1 118 type=2 119 43 119 49 c30342_6aza 1 119 type=2 120 43 120 49 c30342_6aza 1 120 type=2 121 43 121 49 c30342_6aza 1 121 type=2 122 43 122 49 c30342_6aza 1 122 type=2 123 43 123 49 c30342_6aza 1 123 type=2 124 43 124 49 c30342_6aza 1 124 type=2 125 43 125 49 c30342_6aza 1 125 type=2 126 43 126 49 c30342_6aza 1 126 type=2 127 43 127 49 c30342_6aza 1 127 type=2 128 43 128 49 c30342_6aza 1 128 type=2 129 43 129 49 c30342_6aza 1 129 type=2 130 43 130 49 c30342_6aza 1 130 type=2 131 43 131 49 c30342_6aza 1 131 type=2 132 43 132 49 c30342_6aza 1 132 type=2 133 43 133 49 c30342_6aza 1 133 type=2 134 43 134 49 c30342_6aza 1 134 type=2 135 43 135 49 c30342_6aza 1 135 type=2 136 43 136 49 c30342_6aza 1 136 type=2 137 43 137 49 c30342_6aza 1 137 type=2 138 43 138 49 c30342_6aza 1 138 type=2 139 43 139 49 c30342_6aza 1 139 type=2 140 43 140 49 c30342_6aza 1 140 type=2 141 43 141 49 c30342_6aza 1 141 type=2 142 43 142 49 c30342_6aza 1 142 type=2 143 43 143 49 c30342_6aza 1 143 type=2 144 43 144 49 c30342_6aza 1 144 type=2 145 43 145 49 c30342_6aza 1 145 type=2 146 43 146 49 c30342_6aza 1 146 type=2 147 43 147 49 c30342_6aza 1 147 type=2 148 43 148 49 c30342_6aza 1 148 type=2 149 43 149 49 c30342_6aza 1 149 type=2 150 43 150 49 c30342_6aza 1 150 type=2 151 43 151 49 c30342_6aza 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: ate-final.aco' 1 1 1 34 c30342_6aza 1 stop_ loop_ _TA_constraint_conv_err.ID _TA_constraint_conv_err.Parse_file_ID _TA_constraint_conv_err.Parse_file_constraint_ID _TA_constraint_conv_err.Conv_error_type _TA_constraint_conv_err.Conv_error_note _TA_constraint_conv_err.Entry_ID _TA_constraint_conv_err.Torsion_angle_constraint_list_ID 1 2 1 1 "Not handling restraint 1, resonance(s) ' .0.C' (nmrStar names) not linked" c30342_6aza 1 stop_ save_ save_DYANA/DIANA_dihedral_5 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode DYANA/DIANA_dihedral_5 _Torsion_angle_constraint_list.Entry_ID c30342_6aza _Torsion_angle_constraint_list.ID 2 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 5 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 . . . . c30342_6aza 2 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 2 2 CYS C C . . 1 1 3 3 LYS N N . . 1 1 3 3 LYS CA C . . 1 1 3 3 LYS C C . -122.8 -45.3 . . . A . 2 CYS C . . A . 3 LYS N . . A . 3 LYS CA . . A . 3 LYS C . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . c30342_6aza 2 2 PSI . 1 1 3 3 LYS N N . . 1 1 3 3 LYS CA C . . 1 1 3 3 LYS C C . . 1 1 4 4 THR N N . 114.5 166.0 . . . A . 3 LYS N . . A . 3 LYS CA . . A . 3 LYS C . . A . 4 THR N . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . . . . 3 LYS . . . c30342_6aza 2 3 PHI . 1 1 3 3 LYS C C . . 1 1 4 4 THR N N . . 1 1 4 4 THR CA C . . 1 1 4 4 THR C C . -133.4 -42.4 . . . A . 3 LYS C . . A . 4 THR N . . A . 4 THR CA . . A . 4 THR C . . . 4 THR . . . . . . 4 THR . . . . . . 4 THR . . . . . . 4 THR . . . c30342_6aza 2 4 PSI . 1 1 4 4 THR N N . . 1 1 4 4 THR CA C . . 1 1 4 4 THR C C . . 1 1 5 5 CYS N N . 116.7 156.7 . . . A . 4 THR N . . A . 4 THR CA . . A . 4 THR C . . A . 5 CYS N . . . 4 THR . . . . . . 4 THR . . . . . . 4 THR . . . . . . 4 THR . . . c30342_6aza 2 5 PHI . 1 1 4 4 THR C C . . 1 1 5 5 CYS N N . . 1 1 5 5 CYS CA C . . 1 1 5 5 CYS C C . -173.1 -43.4 . . . A . 4 THR C . . A . 5 CYS N . . A . 5 CYS CA . . A . 5 CYS C . . . 5 CYSS . . . . . . 5 CYSS . . . . . . 5 CYSS . . . . . . 5 CYSS . . . c30342_6aza 2 6 PSI . 1 1 5 5 CYS N N . . 1 1 5 5 CYS CA C . . 1 1 5 5 CYS C C . . 1 1 6 6 SER N N . 121.8 174.9 . . . A . 5 CYS N . . A . 5 CYS CA . . A . 5 CYS C . . A . 6 SER N . . . 5 CYSS . . . . . . 5 CYSS . . . . . . 5 CYSS . . . . . . 5 CYSS . . . c30342_6aza 2 7 PHI . 1 1 7 7 LYS C C . . 1 1 8 8 GLY N N . . 1 1 8 8 GLY CA C . . 1 1 8 8 GLY C C . 68.0 108.0 . . . A . 7 LYS C . . A . 8 GLY N . . A . 8 GLY CA . . A . 8 GLY C . . . 8 GLY . . . . . . 8 GLY . . . . . . 8 GLY . . . . . . 8 GLY . . . c30342_6aza 2 8 PSI . 1 1 8 8 GLY N N . . 1 1 8 8 GLY CA C . . 1 1 8 8 GLY C C . . 1 1 9 9 ARG N N . -26.4 13.6 . . . A . 8 GLY N . . A . 8 GLY CA . . A . 8 GLY C . . A . 9 ARG N . . . 8 GLY . . . . . . 8 GLY . . . . . . 8 GLY . . . . . . 8 GLY . . . c30342_6aza 2 9 PHI . 1 1 8 8 GLY C C . . 1 1 9 9 ARG N N . . 1 1 9 9 ARG CA C . . 1 1 9 9 ARG C C . -115.4 -56.7 . . . A . 8 GLY C . . A . 9 ARG N . . A . 9 ARG CA . . A . 9 ARG C . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . c30342_6aza 2 10 PSI . 1 1 9 9 ARG N N . . 1 1 9 9 ARG CA C . . 1 1 9 9 ARG C C . . 1 1 10 10 CYS N N . 112.8 152.8 . . . A . 9 ARG N . . A . 9 ARG CA . . A . 9 ARG C . . A . 10 CYS N . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . c30342_6aza 2 11 PHI . 1 1 9 9 ARG C C . . 1 1 10 10 CYS N N . . 1 1 10 10 CYS CA C . . 1 1 10 10 CYS C C . -148.9 -41.5 . . . A . 9 ARG C . . A . 10 CYS N . . A . 10 CYS CA . . A . 10 CYS C . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . c30342_6aza 2 12 PSI . 1 1 10 10 CYS N N . . 1 1 10 10 CYS CA C . . 1 1 10 10 CYS C C . . 1 1 11 11 ARG N N . 110.0 160.9 . . . A . 10 CYS N . . A . 10 CYS CA . . A . 10 CYS C . . A . 11 ARG N . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . c30342_6aza 2 13 PHI . 1 1 10 10 CYS C C . . 1 1 11 11 ARG N N . . 1 1 11 11 ARG CA C . . 1 1 11 11 ARG C C . -153.8 -47.4 . . . A . 10 CYS C . . A . 11 ARG N . . A . 11 ARG CA . . A . 11 ARG C . . . 11 ARG . . . . . . 11 ARG . . . . . . 11 ARG . . . . . . 11 ARG . . . c30342_6aza 2 14 PSI . 1 1 11 11 ARG N N . . 1 1 11 11 ARG CA C . . 1 1 11 11 ARG C C . . 1 1 12 12 PRO N N . 107.0 175.4 . . . A . 11 ARG N . . A . 11 ARG CA . . A . 11 ARG C . . A . 12 PRO N . . . 11 ARG . . . . . . 11 ARG . . . . . . 11 ARG . . . . . . 11 ARG . . . c30342_6aza 2 15 PSI . 1 1 12 12 PRO N N . . 1 1 12 12 PRO CA C . . 1 1 12 12 PRO C C . . 1 1 13 13 LYS N N . 125.9 165.9 . . . A . 12 PRO N . . A . 12 PRO CA . . A . 12 PRO C . . A . 13 LYS N . . . 12 PRO . . . . . . 12 PRO . . . . . . 12 PRO . . . . . . 12 PRO . . . c30342_6aza 2 16 PHI . 1 1 12 12 PRO C C . . 1 1 13 13 LYS N N . . 1 1 13 13 LYS CA C . . 1 1 13 13 LYS C C . -82.8 -42.8 . . . A . 12 PRO C . . A . 13 LYS N . . A . 13 LYS CA . . A . 13 LYS C . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . c30342_6aza 2 17 PSI . 1 1 13 13 LYS N N . . 1 1 13 13 LYS CA C . . 1 1 13 13 LYS C C . . 1 1 14 14 PRO N N . 116.8 156.8 . . . A . 13 LYS N . . A . 13 LYS CA . . A . 13 LYS C . . A . 14 PRO N . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . c30342_6aza 2 18 PSI . 1 1 14 14 PRO N N . . 1 1 14 14 PRO CA C . . 1 1 14 14 PRO C C . . 1 1 15 15 ASN N N . -41.9 -1.9 . . . A . 14 PRO N . . A . 14 PRO CA . . A . 14 PRO C . . A . 15 ASN N . . . 14 PRO . . . . . . 14 PRO . . . . . . 14 PRO . . . . . . 14 PRO . . . c30342_6aza 2 19 PHI . 1 1 14 14 PRO C C . . 1 1 15 15 ASN N N . . 1 1 15 15 ASN CA C . . 1 1 15 15 ASN C C . -105.8 -65.8 . . . A . 14 PRO C . . A . 15 ASN N . . A . 15 ASN CA . . A . 15 ASN C . . . 15 ASN . . . . . . 15 ASN . . . . . . 15 ASN . . . . . . 15 ASN . . . c30342_6aza 2 20 PSI . 1 1 15 15 ASN N N . . 1 1 15 15 ASN CA C . . 1 1 15 15 ASN C C . . 1 1 16 16 CYS N N . -27.4 12.6 . . . A . 15 ASN N . . A . 15 ASN CA . . A . 15 ASN C . . A . 16 CYS N . . . 15 ASN . . . . . . 15 ASN . . . . . . 15 ASN . . . . . . 15 ASN . . . c30342_6aza 2 21 PHI . 1 1 5 5 CYS C C . . 1 1 6 6 SER N N . . 1 1 6 6 SER CA C . . 1 1 6 6 SER C C . -106.4 -42.1 . . . A . 5 CYS C . . A . 6 SER N . . A . 6 SER CA . . A . 6 SER C . . . 6 SER . . . . . . 6 SER . . . . . . 6 SER . . . . . . 6 SER . . . c30342_6aza 2 22 PSI . 1 1 6 6 SER N N . . 1 1 6 6 SER CA C . . 1 1 6 6 SER C C . . 1 1 7 7 LYS N N . 130.3 170.3 . . . A . 6 SER N . . A . 6 SER CA . . A . 6 SER C . . A . 7 LYS N . . . 6 SER . . . . . . 6 SER . . . . . . 6 SER . . . . . . 6 SER . . . c30342_6aza 2 23 CHI1 . 1 1 9 9 ARG N N . . 1 1 9 9 ARG CA C . . 1 1 9 9 ARG CB C . . 1 1 9 9 ARG CG C . -80.0 -40.0 . . . A . 9 ARG N . . A . 9 ARG CA . . A . 9 ARG CB . . A . 9 ARG CG . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . . . . 9 ARG . . . c30342_6aza 2 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 5: ate.aco' 1 1 1 28 c30342_6aza 2 2 'REMARK error margins are set to conservative default values of double the standard deviation' 2 1 2 96 c30342_6aza 2 3 'observed in TALOS-N capped at a minimum of +/-20 degree.' 3 1 3 66 c30342_6aza 2 4 "Phi/Psi Angles From 'Strong' Predictions" 5 1 5 43 c30342_6aza 2 5 "Phi/Psi Angles From 'Generous' Predictions" 27 1 27 45 c30342_6aza 2 6 'Chi1 angle' 31 1 31 11 c30342_6aza 2 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 c30342_6aza _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 TOXIN 10-SEP-17 6AZA *TITLE NMR STRUCTURE OF SEA ANEMONE TOXIN KAPPA-ACTITOXIN-ATE1A *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ARG-CYS-LYS-THR-CYS-SER-LYS-GLY-ARG-CYS-ARG-PRO-LYS-PRO- *COMPND 3 ASN-CYS-GLY-NH2; *COMPND 4 CHAIN: A; *COMPND 5 ENGINEERED: YES; *COMPND 6 OTHER_DETAILS: RCKTCSKGRCRPKPNCG NH2 *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: ACTINIA TENEBROSA; *SOURCE 4 ORGANISM_TAXID: 6105 *KEYWDS SEA ANEMONE; ACTINIA TENEBROSA; NEUROTOXIN; ION CHANNELS, TOXIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR Y.K.-Y.CHIN,B.MADIO,G.F.KING,E.A.B.UNDHEIM *REVDAT 1 12-SEP-18 6AZA 0' save_