data_c25474_2mz6 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c25474_2mz6 _Entry.Title ; NMR structure of Protegrin-3 (PG3) in the presence of DPC micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-06 _Entry.Accession_date 2015-02-06 _Entry.Last_release_date 2015-03-23 _Entry.Original_release_date 2015-03-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 K. Usachev . S. . c25474_2mz6 2 S. Efimov . V. . c25474_2mz6 3 O. Kolosova . V. . c25474_2mz6 4 E. Klochkova . A. . c25474_2mz6 5 A. Aganov . V. . c25474_2mz6 6 V. Klochkov . V. . c25474_2mz6 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . c25474_2mz6 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ANTIMICROBIAL PEPTIDE' . c25474_2mz6 protegrin . c25474_2mz6 'DPC micelle' . c25474_2mz6 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c25474_2mz6 conformer_family_coord_set 1 c25474_2mz6 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 122 c25474_2mz6 '13C chemical shifts' 56 c25474_2mz6 '15N chemical shifts' 14 c25474_2mz6 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 . . 2015-03-23 2015-02-06 original author . c25474_2mz6 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MZ6 'BMRB Entry Tracking System' c25474_2mz6 stop_ save_ ############### # Citations # ############### save_Protegrin-3_monomer _Citation.Sf_category citations _Citation.Sf_framecode Protegrin-3_monomer _Citation.Entry_ID c25474_2mz6 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25786621 _Citation.Full_citation . _Citation.Title 'Antimicrobial peptide protegrin-3 adopt an antiparallel dimer in the presence of DPC micelles: a high-resolution NMR study' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Konstantin Usachev . S. . c25474_2mz6 1 2 Sergey Efimov . V. . c25474_2mz6 1 3 Olga Kolosova . A. . c25474_2mz6 1 4 Evelina Klochkova . A. . c25474_2mz6 1 5 Albert Aganov . V. . c25474_2mz6 1 6 Vladimir Klochkov . V. . c25474_2mz6 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c25474_2mz6 _Assembly.ID 1 _Assembly.Name 'Protegrin-3 (PG3)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'Protegrin-3 (PG3)' 1 $PG3_monomer A . yes native no no . . . c25474_2mz6 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PG3_monomer _Entity.Sf_category entity _Entity.Sf_framecode PG3_monomer _Entity.Entry_ID c25474_2mz6 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PG3_monomer _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 RGGGLCYCRRRFCVCVGR _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _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 'all disulfide bond' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2066.527 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ARG . c25474_2mz6 1 2 . GLY . c25474_2mz6 1 3 . GLY . c25474_2mz6 1 4 . GLY . c25474_2mz6 1 5 . LEU . c25474_2mz6 1 6 . CYS . c25474_2mz6 1 7 . TYR . c25474_2mz6 1 8 . CYS . c25474_2mz6 1 9 . ARG . c25474_2mz6 1 10 . ARG . c25474_2mz6 1 11 . ARG . c25474_2mz6 1 12 . PHE . c25474_2mz6 1 13 . CYS . c25474_2mz6 1 14 . VAL . c25474_2mz6 1 15 . CYS . c25474_2mz6 1 16 . VAL . c25474_2mz6 1 17 . GLY . c25474_2mz6 1 18 . ARG . c25474_2mz6 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 c25474_2mz6 1 . GLY 2 2 c25474_2mz6 1 . GLY 3 3 c25474_2mz6 1 . GLY 4 4 c25474_2mz6 1 . LEU 5 5 c25474_2mz6 1 . CYS 6 6 c25474_2mz6 1 . TYR 7 7 c25474_2mz6 1 . CYS 8 8 c25474_2mz6 1 . ARG 9 9 c25474_2mz6 1 . ARG 10 10 c25474_2mz6 1 . ARG 11 11 c25474_2mz6 1 . PHE 12 12 c25474_2mz6 1 . CYS 13 13 c25474_2mz6 1 . VAL 14 14 c25474_2mz6 1 . CYS 15 15 c25474_2mz6 1 . VAL 16 16 c25474_2mz6 1 . GLY 17 17 c25474_2mz6 1 . ARG 18 18 c25474_2mz6 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 c25474_2mz6 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $PG3_monomer . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c25474_2mz6 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 c25474_2mz6 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $PG3_monomer . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c25474_2mz6 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c25474_2mz6 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PG3_monomer 'natural abundance' . . 1 $PG3_monomer . . 3 . . mg . . . . c25474_2mz6 1 2 TSP '[U-99% 2H]' . . . . . . 0.01 . . % . . . . c25474_2mz6 1 3 DPC '[U-99% 2H]' . . . . . . 20 . . mg . . . . c25474_2mz6 1 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 c25474_2mz6 _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 temperature 293 . K c25474_2mz6 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID c25474_2mz6 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . c25474_2mz6 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c25474_2mz6 1 'peak picking' c25474_2mz6 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID c25474_2mz6 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . c25474_2mz6 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing c25474_2mz6 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID c25474_2mz6 _Software.ID 3 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . c25474_2mz6 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' c25474_2mz6 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID c25474_2mz6 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'All data were acquired at 700 MHz (Bruker Avance III HD) NMR spectrometer equipped with quadruple resonance (1H, 13C, 15N and 31P) CryoProbe.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 c25474_2mz6 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 'All data were acquired at 700 MHz (Bruker Avance III HD) NMR spectrometer equipped with quadruple resonance (1H, 13C, 15N and 31P) CryoProbe' . . c25474_2mz6 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 c25474_2mz6 _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 DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25474_2mz6 1 2 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25474_2mz6 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25474_2mz6 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25474_2mz6 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25474_2mz6 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25474_2mz6 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_TSP-d4 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode TSP-d4 _Chem_shift_reference.Entry_ID c25474_2mz6 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . c25474_2mz6 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID c25474_2mz6 _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 $TSP-d4 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-1H COSY' . . . c25474_2mz6 1 3 '2D 1H-1H TOCSY' . . . c25474_2mz6 1 4 '2D 1H-1H NOESY' . . . c25474_2mz6 1 5 '2D 1H-15N HSQC' . . . c25474_2mz6 1 6 '2D 1H-13C HSQC' . . . c25474_2mz6 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . c25474_2mz6 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ARG HA H 1 4.028 . . . . . . A 1 ARG HA . c25474_2mz6 1 2 . 1 1 1 1 ARG HB2 H 1 1.875 . . . . . . A 1 ARG HB2 . c25474_2mz6 1 3 . 1 1 1 1 ARG HB3 H 1 1.875 . . . . . . A 1 ARG HB3 . c25474_2mz6 1 4 . 1 1 1 1 ARG HG2 H 1 1.624 . . . . . . A 1 ARG HG2 . c25474_2mz6 1 5 . 1 1 1 1 ARG HG3 H 1 1.525 . . . . . . A 1 ARG HG3 . c25474_2mz6 1 6 . 1 1 1 1 ARG HD2 H 1 3.140 . . . . . . A 1 ARG HD2 . c25474_2mz6 1 7 . 1 1 1 1 ARG HD3 H 1 3.140 . . . . . . A 1 ARG HD3 . c25474_2mz6 1 8 . 1 1 1 1 ARG HE H 1 7.348 . . . . . . A 1 ARG HE . c25474_2mz6 1 9 . 1 1 1 1 ARG C C 13 170.168 . . . . . . A 1 ARG C . c25474_2mz6 1 10 . 1 1 1 1 ARG CA C 13 52.990 . . . . . . A 1 ARG CA . c25474_2mz6 1 11 . 1 1 1 1 ARG CB C 13 28.051 . . . . . . A 1 ARG CB . c25474_2mz6 1 12 . 1 1 1 1 ARG CG C 13 23.563 . . . . . . A 1 ARG CG . c25474_2mz6 1 13 . 1 1 1 1 ARG CD C 13 40.518 . . . . . . A 1 ARG CD . c25474_2mz6 1 14 . 1 1 2 2 GLY H H 1 8.943 . . . . . . A 2 GLY H . c25474_2mz6 1 15 . 1 1 2 2 GLY HA2 H 1 4.017 . . . . . . A 2 GLY HA2 . c25474_2mz6 1 16 . 1 1 2 2 GLY HA3 H 1 4.017 . . . . . . A 2 GLY HA3 . c25474_2mz6 1 17 . 1 1 2 2 GLY CA C 13 42.609 . . . . . . A 2 GLY CA . c25474_2mz6 1 18 . 1 1 2 2 GLY N N 15 111.641 . . . . . . A 2 GLY N . c25474_2mz6 1 19 . 1 1 3 3 GLY H H 1 8.482 . . . . . . A 3 GLY H . c25474_2mz6 1 20 . 1 1 3 3 GLY HA2 H 1 3.940 . . . . . . A 3 GLY HA2 . c25474_2mz6 1 21 . 1 1 3 3 GLY HA3 H 1 3.940 . . . . . . A 3 GLY HA3 . c25474_2mz6 1 22 . 1 1 3 3 GLY CA C 13 42.733 . . . . . . A 3 GLY CA . c25474_2mz6 1 23 . 1 1 3 3 GLY N N 15 108.976 . . . . . . A 3 GLY N . c25474_2mz6 1 24 . 1 1 4 4 GLY H H 1 8.824 . . . . . . A 4 GLY H . c25474_2mz6 1 25 . 1 1 4 4 GLY HA2 H 1 3.869 . . . . . . A 4 GLY HA2 . c25474_2mz6 1 26 . 1 1 4 4 GLY HA3 H 1 3.869 . . . . . . A 4 GLY HA3 . c25474_2mz6 1 27 . 1 1 4 4 GLY CA C 13 43.706 . . . . . . A 4 GLY CA . c25474_2mz6 1 28 . 1 1 4 4 GLY N N 15 110.406 . . . . . . A 4 GLY N . c25474_2mz6 1 29 . 1 1 5 5 LEU H H 1 8.661 . . . . . . A 5 LEU H . c25474_2mz6 1 30 . 1 1 5 5 LEU HA H 1 4.130 . . . . . . A 5 LEU HA . c25474_2mz6 1 31 . 1 1 5 5 LEU HB2 H 1 1.672 . . . . . . A 5 LEU HB2 . c25474_2mz6 1 32 . 1 1 5 5 LEU HB3 H 1 1.672 . . . . . . A 5 LEU HB3 . c25474_2mz6 1 33 . 1 1 5 5 LEU HG H 1 1.541 . . . . . . A 5 LEU HG . c25474_2mz6 1 34 . 1 1 5 5 LEU HD11 H 1 0.885 . . . . . . A 5 LEU HD11 . c25474_2mz6 1 35 . 1 1 5 5 LEU HD12 H 1 0.885 . . . . . . A 5 LEU HD12 . c25474_2mz6 1 36 . 1 1 5 5 LEU HD13 H 1 0.885 . . . . . . A 5 LEU HD13 . c25474_2mz6 1 37 . 1 1 5 5 LEU HD21 H 1 0.832 . . . . . . A 5 LEU HD21 . c25474_2mz6 1 38 . 1 1 5 5 LEU HD22 H 1 0.832 . . . . . . A 5 LEU HD22 . c25474_2mz6 1 39 . 1 1 5 5 LEU HD23 H 1 0.832 . . . . . . A 5 LEU HD23 . c25474_2mz6 1 40 . 1 1 5 5 LEU CA C 13 54.437 . . . . . . A 5 LEU CA . c25474_2mz6 1 41 . 1 1 5 5 LEU CB C 13 39.029 . . . . . . A 5 LEU CB . c25474_2mz6 1 42 . 1 1 5 5 LEU CG C 13 24.458 . . . . . . A 5 LEU CG . c25474_2mz6 1 43 . 1 1 5 5 LEU CD1 C 13 22.409 . . . . . . A 5 LEU CD1 . c25474_2mz6 1 44 . 1 1 5 5 LEU CD2 C 13 21.429 . . . . . . A 5 LEU CD2 . c25474_2mz6 1 45 . 1 1 5 5 LEU N N 15 122.857 . . . . . . A 5 LEU N . c25474_2mz6 1 46 . 1 1 6 6 CYS H H 1 8.313 . . . . . . A 6 CYS H . c25474_2mz6 1 47 . 1 1 6 6 CYS HA H 1 4.642 . . . . . . A 6 CYS HA . c25474_2mz6 1 48 . 1 1 6 6 CYS HB2 H 1 2.870 . . . . . . A 6 CYS HB2 . c25474_2mz6 1 49 . 1 1 6 6 CYS HB3 H 1 2.870 . . . . . . A 6 CYS HB3 . c25474_2mz6 1 50 . 1 1 6 6 CYS CA C 13 58.782 . . . . . . A 6 CYS CA . c25474_2mz6 1 51 . 1 1 6 6 CYS CB C 13 24.366 . . . . . . A 6 CYS CB . c25474_2mz6 1 52 . 1 1 6 6 CYS N N 15 118.749 . . . . . . A 6 CYS N . c25474_2mz6 1 53 . 1 1 7 7 TYR H H 1 8.014 . . . . . . A 7 TYR H . c25474_2mz6 1 54 . 1 1 7 7 TYR HA H 1 4.233 . . . . . . A 7 TYR HA . c25474_2mz6 1 55 . 1 1 7 7 TYR HB2 H 1 3.068 . . . . . . A 7 TYR HB2 . c25474_2mz6 1 56 . 1 1 7 7 TYR HB3 H 1 3.068 . . . . . . A 7 TYR HB3 . c25474_2mz6 1 57 . 1 1 7 7 TYR HD1 H 1 7.052 . . . . . . A 7 TYR HD1 . c25474_2mz6 1 58 . 1 1 7 7 TYR HD2 H 1 7.052 . . . . . . A 7 TYR HD2 . c25474_2mz6 1 59 . 1 1 7 7 TYR HE1 H 1 6.709 . . . . . . A 7 TYR HE1 . c25474_2mz6 1 60 . 1 1 7 7 TYR HE2 H 1 6.709 . . . . . . A 7 TYR HE2 . c25474_2mz6 1 61 . 1 1 7 7 TYR CA C 13 57.821 . . . . . . A 7 TYR CA . c25474_2mz6 1 62 . 1 1 7 7 TYR CB C 13 40.694 . . . . . . A 7 TYR CB . c25474_2mz6 1 63 . 1 1 7 7 TYR CD1 C 13 130.553 . . . . . . A 7 TYR CD1 . c25474_2mz6 1 64 . 1 1 7 7 TYR CD2 C 13 130.553 . . . . . . A 7 TYR CD2 . c25474_2mz6 1 65 . 1 1 7 7 TYR CE1 C 13 115.426 . . . . . . A 7 TYR CE1 . c25474_2mz6 1 66 . 1 1 7 7 TYR CE2 C 13 115.426 . . . . . . A 7 TYR CE2 . c25474_2mz6 1 67 . 1 1 7 7 TYR N N 15 120.140 . . . . . . A 7 TYR N . c25474_2mz6 1 68 . 1 1 8 8 CYS H H 1 8.100 . . . . . . A 8 CYS H . c25474_2mz6 1 69 . 1 1 8 8 CYS HA H 1 4.032 . . . . . . A 8 CYS HA . c25474_2mz6 1 70 . 1 1 8 8 CYS HB2 H 1 3.012 . . . . . . A 8 CYS HB2 . c25474_2mz6 1 71 . 1 1 8 8 CYS HB3 H 1 2.688 . . . . . . A 8 CYS HB3 . c25474_2mz6 1 72 . 1 1 8 8 CYS CA C 13 52.871 . . . . . . A 8 CYS CA . c25474_2mz6 1 73 . 1 1 8 8 CYS CB C 13 24.840 . . . . . . A 8 CYS CB . c25474_2mz6 1 74 . 1 1 8 8 CYS N N 15 117.450 . . . . . . A 8 CYS N . c25474_2mz6 1 75 . 1 1 9 9 ARG H H 1 8.331 . . . . . . A 9 ARG H . c25474_2mz6 1 76 . 1 1 9 9 ARG HA H 1 3.935 . . . . . . A 9 ARG HA . c25474_2mz6 1 77 . 1 1 9 9 ARG HB2 H 1 1.919 . . . . . . A 9 ARG HB2 . c25474_2mz6 1 78 . 1 1 9 9 ARG HB3 H 1 1.759 . . . . . . A 9 ARG HB3 . c25474_2mz6 1 79 . 1 1 9 9 ARG HG2 H 1 1.588 . . . . . . A 9 ARG HG2 . c25474_2mz6 1 80 . 1 1 9 9 ARG HG3 H 1 1.588 . . . . . . A 9 ARG HG3 . c25474_2mz6 1 81 . 1 1 9 9 ARG HD2 H 1 3.096 . . . . . . A 9 ARG HD2 . c25474_2mz6 1 82 . 1 1 9 9 ARG HE H 1 7.493 . . . . . . A 9 ARG HE . c25474_2mz6 1 83 . 1 1 9 9 ARG HH21 H 1 7.139 . . . . . . A 9 ARG HH21 . c25474_2mz6 1 84 . 1 1 9 9 ARG CA C 13 56.412 . . . . . . A 9 ARG CA . c25474_2mz6 1 85 . 1 1 9 9 ARG CB C 13 27.467 . . . . . . A 9 ARG CB . c25474_2mz6 1 86 . 1 1 9 9 ARG CG C 13 24.681 . . . . . . A 9 ARG CG . c25474_2mz6 1 87 . 1 1 9 9 ARG CD C 13 40.666 . . . . . . A 9 ARG CD . c25474_2mz6 1 88 . 1 1 9 9 ARG N N 15 120.000 . . . . . . A 9 ARG N . c25474_2mz6 1 89 . 1 1 10 10 ARG H H 1 7.900 . . . . . . A 10 ARG H . c25474_2mz6 1 90 . 1 1 10 10 ARG HA H 1 4.036 . . . . . . A 10 ARG HA . c25474_2mz6 1 91 . 1 1 10 10 ARG HB2 H 1 1.757 . . . . . . A 10 ARG HB2 . c25474_2mz6 1 92 . 1 1 10 10 ARG HB3 H 1 1.757 . . . . . . A 10 ARG HB3 . c25474_2mz6 1 93 . 1 1 10 10 ARG HG2 H 1 1.606 . . . . . . A 10 ARG HG2 . c25474_2mz6 1 94 . 1 1 10 10 ARG HG3 H 1 1.522 . . . . . . A 10 ARG HG3 . c25474_2mz6 1 95 . 1 1 10 10 ARG HD2 H 1 3.093 . . . . . . A 10 ARG HD2 . c25474_2mz6 1 96 . 1 1 10 10 ARG HD3 H 1 3.093 . . . . . . A 10 ARG HD3 . c25474_2mz6 1 97 . 1 1 10 10 ARG HE H 1 7.214 . . . . . . A 10 ARG HE . c25474_2mz6 1 98 . 1 1 10 10 ARG HH21 H 1 7.214 . . . . . . A 10 ARG HH21 . c25474_2mz6 1 99 . 1 1 10 10 ARG CA C 13 55.596 . . . . . . A 10 ARG CA . c25474_2mz6 1 100 . 1 1 10 10 ARG CB C 13 27.475 . . . . . . A 10 ARG CB . c25474_2mz6 1 101 . 1 1 10 10 ARG CG C 13 23.639 . . . . . . A 10 ARG CG . c25474_2mz6 1 102 . 1 1 10 10 ARG CD C 13 40.531 . . . . . . A 10 ARG CD . c25474_2mz6 1 103 . 1 1 10 10 ARG NE N 15 84.825 . . . . . . A 10 ARG NE . c25474_2mz6 1 104 . 1 1 11 11 ARG H H 1 7.957 . . . . . . A 11 ARG H . c25474_2mz6 1 105 . 1 1 11 11 ARG HA H 1 3.994 . . . . . . A 11 ARG HA . c25474_2mz6 1 106 . 1 1 11 11 ARG HB2 H 1 1.758 . . . . . . A 11 ARG HB2 . c25474_2mz6 1 107 . 1 1 11 11 ARG HB3 H 1 1.758 . . . . . . A 11 ARG HB3 . c25474_2mz6 1 108 . 1 1 11 11 ARG HG2 H 1 1.526 . . . . . . A 11 ARG HG2 . c25474_2mz6 1 109 . 1 1 11 11 ARG HG3 H 1 1.247 . . . . . . A 11 ARG HG3 . c25474_2mz6 1 110 . 1 1 11 11 ARG HD2 H 1 2.969 . . . . . . A 11 ARG HD2 . c25474_2mz6 1 111 . 1 1 11 11 ARG HD3 H 1 2.874 . . . . . . A 11 ARG HD3 . c25474_2mz6 1 112 . 1 1 11 11 ARG HE H 1 7.398 . . . . . . A 11 ARG HE . c25474_2mz6 1 113 . 1 1 11 11 ARG HH11 H 1 6.709 . . . . . . A 11 ARG HH11 . c25474_2mz6 1 114 . 1 1 11 11 ARG HH12 H 1 6.709 . . . . . . A 11 ARG HH12 . c25474_2mz6 1 115 . 1 1 11 11 ARG HH21 H 1 6.805 . . . . . . A 11 ARG HH21 . c25474_2mz6 1 116 . 1 1 11 11 ARG HH22 H 1 6.805 . . . . . . A 11 ARG HH22 . c25474_2mz6 1 117 . 1 1 11 11 ARG CA C 13 54.347 . . . . . . A 11 ARG CA . c25474_2mz6 1 118 . 1 1 11 11 ARG CB C 13 27.475 . . . . . . A 11 ARG CB . c25474_2mz6 1 119 . 1 1 11 11 ARG CG C 13 24.055 . . . . . . A 11 ARG CG . c25474_2mz6 1 120 . 1 1 11 11 ARG CD C 13 39.937 . . . . . . A 11 ARG CD . c25474_2mz6 1 121 . 1 1 11 11 ARG N N 15 117.419 . . . . . . A 11 ARG N . c25474_2mz6 1 122 . 1 1 12 12 PHE H H 1 8.138 . . . . . . A 12 PHE H . c25474_2mz6 1 123 . 1 1 12 12 PHE HA H 1 4.348 . . . . . . A 12 PHE HA . c25474_2mz6 1 124 . 1 1 12 12 PHE HB2 H 1 3.187 . . . . . . A 12 PHE HB2 . c25474_2mz6 1 125 . 1 1 12 12 PHE HB3 H 1 2.982 . . . . . . A 12 PHE HB3 . c25474_2mz6 1 126 . 1 1 12 12 PHE HD1 H 1 7.054 . . . . . . A 12 PHE HD1 . c25474_2mz6 1 127 . 1 1 12 12 PHE HD2 H 1 7.054 . . . . . . A 12 PHE HD2 . c25474_2mz6 1 128 . 1 1 12 12 PHE HE1 H 1 7.139 . . . . . . A 12 PHE HE1 . c25474_2mz6 1 129 . 1 1 12 12 PHE HE2 H 1 7.139 . . . . . . A 12 PHE HE2 . c25474_2mz6 1 130 . 1 1 12 12 PHE CA C 13 58.491 . . . . . . A 12 PHE CA . c25474_2mz6 1 131 . 1 1 12 12 PHE CB C 13 36.982 . . . . . . A 12 PHE CB . c25474_2mz6 1 132 . 1 1 12 12 PHE CD1 C 13 126.584 . . . . . . A 12 PHE CD1 . c25474_2mz6 1 133 . 1 1 12 12 PHE CD2 C 13 126.584 . . . . . . A 12 PHE CD2 . c25474_2mz6 1 134 . 1 1 12 12 PHE CE1 C 13 129.118 . . . . . . A 12 PHE CE1 . c25474_2mz6 1 135 . 1 1 12 12 PHE CE2 C 13 129.118 . . . . . . A 12 PHE CE2 . c25474_2mz6 1 136 . 1 1 13 13 CYS H H 1 8.047 . . . . . . A 13 CYS H . c25474_2mz6 1 137 . 1 1 13 13 CYS HA H 1 4.155 . . . . . . A 13 CYS HA . c25474_2mz6 1 138 . 1 1 13 13 CYS HB2 H 1 2.961 . . . . . . A 13 CYS HB2 . c25474_2mz6 1 139 . 1 1 13 13 CYS HB3 H 1 2.887 . . . . . . A 13 CYS HB3 . c25474_2mz6 1 140 . 1 1 13 13 CYS CB C 13 24.426 . . . . . . A 13 CYS CB . c25474_2mz6 1 141 . 1 1 13 13 CYS N N 15 119.944 . . . . . . A 13 CYS N . c25474_2mz6 1 142 . 1 1 14 14 VAL H H 1 7.836 . . . . . . A 14 VAL H . c25474_2mz6 1 143 . 1 1 14 14 VAL HA H 1 3.932 . . . . . . A 14 VAL HA . c25474_2mz6 1 144 . 1 1 14 14 VAL HB H 1 2.059 . . . . . . A 14 VAL HB . c25474_2mz6 1 145 . 1 1 14 14 VAL HG11 H 1 0.923 . . . . . . A 14 VAL HG11 . c25474_2mz6 1 146 . 1 1 14 14 VAL HG12 H 1 0.923 . . . . . . A 14 VAL HG12 . c25474_2mz6 1 147 . 1 1 14 14 VAL HG13 H 1 0.923 . . . . . . A 14 VAL HG13 . c25474_2mz6 1 148 . 1 1 14 14 VAL HG21 H 1 0.872 . . . . . . A 14 VAL HG21 . c25474_2mz6 1 149 . 1 1 14 14 VAL HG22 H 1 0.872 . . . . . . A 14 VAL HG22 . c25474_2mz6 1 150 . 1 1 14 14 VAL HG23 H 1 0.872 . . . . . . A 14 VAL HG23 . c25474_2mz6 1 151 . 1 1 14 14 VAL CA C 13 61.054 . . . . . . A 14 VAL CA . c25474_2mz6 1 152 . 1 1 14 14 VAL CB C 13 29.860 . . . . . . A 14 VAL CB . c25474_2mz6 1 153 . 1 1 14 14 VAL CG1 C 13 18.766 . . . . . . A 14 VAL CG1 . c25474_2mz6 1 154 . 1 1 15 15 CYS H H 1 8.045 . . . . . . A 15 CYS H . c25474_2mz6 1 155 . 1 1 15 15 CYS HA H 1 4.275 . . . . . . A 15 CYS HA . c25474_2mz6 1 156 . 1 1 15 15 CYS HB2 H 1 2.849 . . . . . . A 15 CYS HB2 . c25474_2mz6 1 157 . 1 1 15 15 CYS HB3 H 1 2.809 . . . . . . A 15 CYS HB3 . c25474_2mz6 1 158 . 1 1 15 15 CYS CA C 13 57.856 . . . . . . A 15 CYS CA . c25474_2mz6 1 159 . 1 1 15 15 CYS CB C 13 25.187 . . . . . . A 15 CYS CB . c25474_2mz6 1 160 . 1 1 15 15 CYS N N 15 117.212 . . . . . . A 15 CYS N . c25474_2mz6 1 161 . 1 1 16 16 VAL H H 1 7.743 . . . . . . A 16 VAL H . c25474_2mz6 1 162 . 1 1 16 16 VAL HA H 1 4.075 . . . . . . A 16 VAL HA . c25474_2mz6 1 163 . 1 1 16 16 VAL HB H 1 2.033 . . . . . . A 16 VAL HB . c25474_2mz6 1 164 . 1 1 16 16 VAL HG11 H 1 0.723 . . . . . . A 16 VAL HG11 . c25474_2mz6 1 165 . 1 1 16 16 VAL HG12 H 1 0.723 . . . . . . A 16 VAL HG12 . c25474_2mz6 1 166 . 1 1 16 16 VAL HG13 H 1 0.723 . . . . . . A 16 VAL HG13 . c25474_2mz6 1 167 . 1 1 16 16 VAL HG21 H 1 0.723 . . . . . . A 16 VAL HG21 . c25474_2mz6 1 168 . 1 1 16 16 VAL HG22 H 1 0.723 . . . . . . A 16 VAL HG22 . c25474_2mz6 1 169 . 1 1 16 16 VAL HG23 H 1 0.723 . . . . . . A 16 VAL HG23 . c25474_2mz6 1 170 . 1 1 16 16 VAL CA C 13 59.486 . . . . . . A 16 VAL CA . c25474_2mz6 1 171 . 1 1 16 16 VAL CB C 13 29.632 . . . . . . A 16 VAL CB . c25474_2mz6 1 172 . 1 1 16 16 VAL CG1 C 13 18.763 . . . . . . A 16 VAL CG1 . c25474_2mz6 1 173 . 1 1 16 16 VAL CG2 C 13 17.658 . . . . . . A 16 VAL CG2 . c25474_2mz6 1 174 . 1 1 17 17 GLY H H 1 8.001 . . . . . . A 17 GLY H . c25474_2mz6 1 175 . 1 1 17 17 GLY HA2 H 1 3.859 . . . . . . A 17 GLY HA2 . c25474_2mz6 1 176 . 1 1 17 17 GLY HA3 H 1 3.859 . . . . . . A 17 GLY HA3 . c25474_2mz6 1 177 . 1 1 17 17 GLY CA C 13 42.780 . . . . . . A 17 GLY CA . c25474_2mz6 1 178 . 1 1 17 17 GLY N N 15 110.355 . . . . . . A 17 GLY N . c25474_2mz6 1 179 . 1 1 18 18 ARG H H 1 7.871 . . . . . . A 18 ARG H . c25474_2mz6 1 180 . 1 1 18 18 ARG HA H 1 4.244 . . . . . . A 18 ARG HA . c25474_2mz6 1 181 . 1 1 18 18 ARG HB2 H 1 1.847 . . . . . . A 18 ARG HB2 . c25474_2mz6 1 182 . 1 1 18 18 ARG HB3 H 1 1.847 . . . . . . A 18 ARG HB3 . c25474_2mz6 1 183 . 1 1 18 18 ARG HG2 H 1 1.596 . . . . . . A 18 ARG HG2 . c25474_2mz6 1 184 . 1 1 18 18 ARG HG3 H 1 1.530 . . . . . . A 18 ARG HG3 . c25474_2mz6 1 185 . 1 1 18 18 ARG HD2 H 1 3.096 . . . . . . A 18 ARG HD2 . c25474_2mz6 1 186 . 1 1 18 18 ARG HD3 H 1 3.096 . . . . . . A 18 ARG HD3 . c25474_2mz6 1 187 . 1 1 18 18 ARG HE H 1 7.349 . . . . . . A 18 ARG HE . c25474_2mz6 1 188 . 1 1 18 18 ARG CA C 13 53.059 . . . . . . A 18 ARG CA . c25474_2mz6 1 189 . 1 1 18 18 ARG CB C 13 28.539 . . . . . . A 18 ARG CB . c25474_2mz6 1 190 . 1 1 18 18 ARG CG C 13 24.656 . . . . . . A 18 ARG CG . c25474_2mz6 1 191 . 1 1 18 18 ARG CD C 13 40.640 . . . . . . A 18 ARG CD . c25474_2mz6 1 192 . 1 1 18 18 ARG N N 15 121.880 . . . . . . A 18 ARG N . c25474_2mz6 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 c25474_2mz6 _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 1 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 c25474_2mz6 _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 . . . c25474_2mz6 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 . . . . c25474_2mz6 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 38.482 8.666 -11.655 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c25474_2mz6 1 . 1 . 2 . 1 1 1 ARG CA C 39.244 9.078 -12.918 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c25474_2mz6 1 . 1 . 3 . 1 1 1 ARG CB C 39.108 8.005 -14.000 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c25474_2mz6 1 . 1 . 4 . 1 1 1 ARG CD C 40.205 8.409 -16.215 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c25474_2mz6 1 . 1 . 5 . 1 1 1 ARG CG C 38.954 8.671 -15.372 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c25474_2mz6 1 . 1 . 6 . 1 1 1 ARG CZ C 40.759 6.607 -17.760 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c25474_2mz6 1 . 1 . 7 . 1 1 1 ARG H1 H 40.889 9.933 -11.966 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c25474_2mz6 1 . 1 . 8 . 1 1 1 ARG H2 H 41.222 9.334 -13.521 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . c25474_2mz6 1 . 1 . 9 . 1 1 1 ARG H3 H 41.028 8.261 -12.218 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H3 . . . . . . . . . c25474_2mz6 1 . 1 . 10 . 1 1 1 ARG HA H 38.880 10.024 -13.287 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c25474_2mz6 1 . 1 . 11 . 1 1 1 ARG HB2 H 39.989 7.380 -13.998 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c25474_2mz6 1 . 1 . 12 . 1 1 1 ARG HB3 H 38.237 7.400 -13.798 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c25474_2mz6 1 . 1 . 13 . 1 1 1 ARG HD2 H 40.275 9.132 -17.016 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c25474_2mz6 1 . 1 . 14 . 1 1 1 ARG HD3 H 41.089 8.443 -15.597 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c25474_2mz6 1 . 1 . 15 . 1 1 1 ARG HE H 39.336 6.446 -16.381 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c25474_2mz6 1 . 1 . 16 . 1 1 1 ARG HG2 H 38.090 8.262 -15.874 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c25474_2mz6 1 . 1 . 17 . 1 1 1 ARG HG3 H 38.825 9.736 -15.246 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c25474_2mz6 1 . 1 . 18 . 1 1 1 ARG HH11 H 41.825 8.298 -17.938 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c25474_2mz6 1 . 1 . 19 . 1 1 1 ARG HH12 H 42.235 7.035 -19.047 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c25474_2mz6 1 . 1 . 20 . 1 1 1 ARG HH21 H 39.877 4.811 -17.828 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c25474_2mz6 1 . 1 . 21 . 1 1 1 ARG HH22 H 41.138 5.070 -18.986 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c25474_2mz6 1 . 1 . 22 . 1 1 1 ARG N N 40.707 9.157 -12.634 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c25474_2mz6 1 . 1 . 23 . 1 1 1 ARG NE N 40.019 7.035 -16.766 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c25474_2mz6 1 . 1 . 24 . 1 1 1 ARG NH1 N 41.678 7.374 -18.289 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c25474_2mz6 1 . 1 . 25 . 1 1 1 ARG NH2 N 40.577 5.402 -18.228 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c25474_2mz6 1 . 1 . 26 . 1 1 1 ARG O O 39.067 8.427 -10.616 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c25474_2mz6 1 . 1 . 27 . 1 1 2 GLY C C 36.083 6.686 -10.604 . . . 1.0 . . . . . . . . . . . . A . 2 GLY C . . . . . . . . . c25474_2mz6 1 . 1 . 28 . 1 1 2 GLY CA C 36.379 8.185 -10.545 . . . 1.0 . . . . . . . . . . . . A . 2 GLY CA . . . . . . . . . c25474_2mz6 1 . 1 . 29 . 1 1 2 GLY H H 36.732 8.779 -12.586 . . . 1.0 . . . . . . . . . . . . A . 2 GLY H . . . . . . . . . c25474_2mz6 1 . 1 . 30 . 1 1 2 GLY HA2 H 36.937 8.409 -9.646 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA2 . . . . . . . . . c25474_2mz6 1 . 1 . 31 . 1 1 2 GLY HA3 H 35.449 8.732 -10.538 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA3 . . . . . . . . . c25474_2mz6 1 . 1 . 32 . 1 1 2 GLY N N 37.181 8.582 -11.738 . . . 1.0 . . . . . . . . . . . . A . 2 GLY N . . . . . . . . . c25474_2mz6 1 . 1 . 33 . 1 1 2 GLY O O 36.440 6.010 -11.550 . . . 1.0 . . . . . . . . . . . . A . 2 GLY O . . . . . . . . . c25474_2mz6 1 . 1 . 34 . 1 1 3 GLY C C 34.255 4.370 -8.375 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . c25474_2mz6 1 . 1 . 35 . 1 1 3 GLY CA C 35.112 4.704 -9.598 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . c25474_2mz6 1 . 1 . 36 . 1 1 3 GLY H H 35.154 6.724 -8.849 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . c25474_2mz6 1 . 1 . 37 . 1 1 3 GLY HA2 H 34.570 4.453 -10.499 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . c25474_2mz6 1 . 1 . 38 . 1 1 3 GLY HA3 H 36.027 4.134 -9.557 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . c25474_2mz6 1 . 1 . 39 . 1 1 3 GLY N N 35.432 6.160 -9.601 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . c25474_2mz6 1 . 1 . 40 . 1 1 3 GLY O O 33.445 5.164 -7.939 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . c25474_2mz6 1 . 1 . 41 . 1 1 4 GLY C C 34.454 1.896 -5.725 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . c25474_2mz6 1 . 1 . 42 . 1 1 4 GLY CA C 33.624 2.813 -6.625 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . c25474_2mz6 1 . 1 . 43 . 1 1 4 GLY H H 35.087 2.576 -8.189 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . c25474_2mz6 1 . 1 . 44 . 1 1 4 GLY HA2 H 33.344 3.701 -6.077 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . c25474_2mz6 1 . 1 . 45 . 1 1 4 GLY HA3 H 32.735 2.290 -6.944 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . c25474_2mz6 1 . 1 . 46 . 1 1 4 GLY N N 34.428 3.200 -7.820 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . c25474_2mz6 1 . 1 . 47 . 1 1 4 GLY O O 35.290 1.146 -6.189 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . c25474_2mz6 1 . 1 . 48 . 1 1 5 LEU C C 34.072 0.063 -2.843 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . c25474_2mz6 1 . 1 . 49 . 1 1 5 LEU CA C 35.003 1.082 -3.505 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . c25474_2mz6 1 . 1 . 50 . 1 1 5 LEU CB C 35.584 2.041 -2.460 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . c25474_2mz6 1 . 1 . 51 . 1 1 5 LEU CD1 C 37.715 0.725 -2.348 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . c25474_2mz6 1 . 1 . 52 . 1 1 5 LEU CD2 C 37.474 2.574 -4.015 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . c25474_2mz6 1 . 1 . 53 . 1 1 5 LEU CG C 37.109 2.109 -2.602 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . c25474_2mz6 1 . 1 . 54 . 1 1 5 LEU H H 33.549 2.563 -4.088 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . c25474_2mz6 1 . 1 . 55 . 1 1 5 LEU HA H 35.799 0.580 -4.031 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . c25474_2mz6 1 . 1 . 56 . 1 1 5 LEU HB2 H 35.166 3.026 -2.605 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . c25474_2mz6 1 . 1 . 57 . 1 1 5 LEU HB3 H 35.334 1.688 -1.470 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . c25474_2mz6 1 . 1 . 58 . 1 1 5 LEU HD11 H 38.533 0.559 -3.033 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . c25474_2mz6 1 . 1 . 59 . 1 1 5 LEU HD12 H 36.961 -0.033 -2.497 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . c25474_2mz6 1 . 1 . 60 . 1 1 5 LEU HD13 H 38.081 0.674 -1.333 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . c25474_2mz6 1 . 1 . 61 . 1 1 5 LEU HD21 H 38.395 3.138 -3.981 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . c25474_2mz6 1 . 1 . 62 . 1 1 5 LEU HD22 H 36.683 3.198 -4.404 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . c25474_2mz6 1 . 1 . 63 . 1 1 5 LEU HD23 H 37.602 1.714 -4.656 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . c25474_2mz6 1 . 1 . 64 . 1 1 5 LEU HG H 37.504 2.809 -1.879 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . c25474_2mz6 1 . 1 . 65 . 1 1 5 LEU N N 34.228 1.951 -4.440 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . c25474_2mz6 1 . 1 . 66 . 1 1 5 LEU O O 33.034 0.409 -2.314 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . c25474_2mz6 1 . 1 . 67 . 1 1 6 CYS C C 34.420 -3.187 -1.394 . . . 1.0 . . . . . . . . . . . . A . 6 CYS C . . . . . . . . . c25474_2mz6 1 . 1 . 68 . 1 1 6 CYS CA C 33.572 -2.234 -2.241 . . . 1.0 . . . . . . . . . . . . A . 6 CYS CA . . . . . . . . . c25474_2mz6 1 . 1 . 69 . 1 1 6 CYS CB C 32.938 -2.981 -3.415 . . . 1.0 . . . . . . . . . . . . A . 6 CYS CB . . . . . . . . . c25474_2mz6 1 . 1 . 70 . 1 1 6 CYS H H 35.277 -1.448 -3.301 . . . 1.0 . . . . . . . . . . . . A . 6 CYS H . . . . . . . . . c25474_2mz6 1 . 1 . 71 . 1 1 6 CYS HA H 32.805 -1.775 -1.639 . . . 1.0 . . . . . . . . . . . . A . 6 CYS HA . . . . . . . . . c25474_2mz6 1 . 1 . 72 . 1 1 6 CYS HB2 H 33.601 -2.944 -4.266 . . . 1.0 . . . . . . . . . . . . A . 6 CYS HB2 . . . . . . . . . c25474_2mz6 1 . 1 . 73 . 1 1 6 CYS HB3 H 32.767 -4.011 -3.136 . . . 1.0 . . . . . . . . . . . . A . 6 CYS HB3 . . . . . . . . . c25474_2mz6 1 . 1 . 74 . 1 1 6 CYS N N 34.436 -1.192 -2.869 . . . 1.0 . . . . . . . . . . . . A . 6 CYS N . . . . . . . . . c25474_2mz6 1 . 1 . 75 . 1 1 6 CYS O O 35.402 -3.734 -1.854 . . . 1.0 . . . . . . . . . . . . A . 6 CYS O . . . . . . . . . c25474_2mz6 1 . 1 . 76 . 1 1 6 CYS SG S 31.360 -2.204 -3.844 . . . 1.0 . . . . . . . . . . . . A . 6 CYS SG . . . . . . . . . c25474_2mz6 1 . 1 . 77 . 1 1 7 TYR C C 33.944 -5.481 1.164 . . . 1.0 . . . . . . . . . . . . A . 7 TYR C . . . . . . . . . c25474_2mz6 1 . 1 . 78 . 1 1 7 TYR CA C 34.823 -4.308 0.720 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CA . . . . . . . . . c25474_2mz6 1 . 1 . 79 . 1 1 7 TYR CB C 35.229 -3.455 1.924 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CB . . . . . . . . . c25474_2mz6 1 . 1 . 80 . 1 1 7 TYR CD1 C 37.081 -2.149 0.819 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CD1 . . . . . . . . . c25474_2mz6 1 . 1 . 81 . 1 1 7 TYR CD2 C 37.632 -3.619 2.667 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CD2 . . . . . . . . . c25474_2mz6 1 . 1 . 82 . 1 1 7 TYR CE1 C 38.429 -1.788 0.705 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CE1 . . . . . . . . . c25474_2mz6 1 . 1 . 83 . 1 1 7 TYR CE2 C 38.980 -3.258 2.553 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CE2 . . . . . . . . . c25474_2mz6 1 . 1 . 84 . 1 1 7 TYR CG C 36.683 -3.065 1.800 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CG . . . . . . . . . c25474_2mz6 1 . 1 . 85 . 1 1 7 TYR CZ C 39.378 -2.342 1.573 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CZ . . . . . . . . . c25474_2mz6 1 . 1 . 86 . 1 1 7 TYR H H 33.246 -2.938 0.188 . . . 1.0 . . . . . . . . . . . . A . 7 TYR H . . . . . . . . . c25474_2mz6 1 . 1 . 87 . 1 1 7 TYR HA H 35.701 -4.667 0.208 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HA . . . . . . . . . c25474_2mz6 1 . 1 . 88 . 1 1 7 TYR HB2 H 34.618 -2.565 1.957 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HB2 . . . . . . . . . c25474_2mz6 1 . 1 . 89 . 1 1 7 TYR HB3 H 35.086 -4.023 2.832 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HB3 . . . . . . . . . c25474_2mz6 1 . 1 . 90 . 1 1 7 TYR HD1 H 36.349 -1.722 0.150 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HD1 . . . . . . . . . c25474_2mz6 1 . 1 . 91 . 1 1 7 TYR HD2 H 37.325 -4.326 3.424 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HD2 . . . . . . . . . c25474_2mz6 1 . 1 . 92 . 1 1 7 TYR HE1 H 38.736 -1.081 -0.051 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HE1 . . . . . . . . . c25474_2mz6 1 . 1 . 93 . 1 1 7 TYR HE2 H 39.712 -3.685 3.222 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HE2 . . . . . . . . . c25474_2mz6 1 . 1 . 94 . 1 1 7 TYR HH H 40.783 -1.053 1.674 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HH . . . . . . . . . c25474_2mz6 1 . 1 . 95 . 1 1 7 TYR N N 34.043 -3.389 -0.160 . . . 1.0 . . . . . . . . . . . . A . 7 TYR N . . . . . . . . . c25474_2mz6 1 . 1 . 96 . 1 1 7 TYR O O 32.828 -5.297 1.610 . . . 1.0 . . . . . . . . . . . . A . 7 TYR O . . . . . . . . . c25474_2mz6 1 . 1 . 97 . 1 1 7 TYR OH O 40.707 -1.985 1.460 . . . 1.0 . . . . . . . . . . . . A . 7 TYR OH . . . . . . . . . c25474_2mz6 1 . 1 . 98 . 1 1 8 CYS C C 34.454 -8.782 2.366 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c25474_2mz6 1 . 1 . 99 . 1 1 8 CYS CA C 33.629 -7.869 1.453 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c25474_2mz6 1 . 1 . 100 . 1 1 8 CYS CB C 33.283 -8.587 0.145 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c25474_2mz6 1 . 1 . 101 . 1 1 8 CYS H H 35.338 -6.808 0.677 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c25474_2mz6 1 . 1 . 102 . 1 1 8 CYS HA H 32.727 -7.554 1.952 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c25474_2mz6 1 . 1 . 103 . 1 1 8 CYS HB2 H 33.576 -7.970 -0.692 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c25474_2mz6 1 . 1 . 104 . 1 1 8 CYS HB3 H 33.812 -9.528 0.100 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c25474_2mz6 1 . 1 . 105 . 1 1 8 CYS N N 34.437 -6.684 1.041 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c25474_2mz6 1 . 1 . 106 . 1 1 8 CYS O O 35.615 -9.041 2.114 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c25474_2mz6 1 . 1 . 107 . 1 1 8 CYS SG S 31.500 -8.894 0.070 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c25474_2mz6 1 . 1 . 108 . 1 1 9 ARG C C 33.625 -11.037 5.146 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c25474_2mz6 1 . 1 . 109 . 1 1 9 ARG CA C 34.608 -10.168 4.353 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c25474_2mz6 1 . 1 . 110 . 1 1 9 ARG CB C 35.370 -9.227 5.290 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c25474_2mz6 1 . 1 . 111 . 1 1 9 ARG CD C 37.617 -9.369 6.384 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c25474_2mz6 1 . 1 . 112 . 1 1 9 ARG CG C 36.877 -9.360 5.044 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c25474_2mz6 1 . 1 . 113 . 1 1 9 ARG CZ C 39.928 -8.839 6.950 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c25474_2mz6 1 . 1 . 114 . 1 1 9 ARG H H 32.925 -9.048 3.604 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c25474_2mz6 1 . 1 . 115 . 1 1 9 ARG HA H 35.301 -10.786 3.803 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c25474_2mz6 1 . 1 . 116 . 1 1 9 ARG HB2 H 35.064 -8.208 5.102 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c25474_2mz6 1 . 1 . 117 . 1 1 9 ARG HB3 H 35.151 -9.484 6.315 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c25474_2mz6 1 . 1 . 118 . 1 1 9 ARG HD2 H 37.065 -8.800 7.120 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c25474_2mz6 1 . 1 . 119 . 1 1 9 ARG HD3 H 37.766 -10.381 6.724 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c25474_2mz6 1 . 1 . 120 . 1 1 9 ARG HE H 39.056 -8.209 5.278 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c25474_2mz6 1 . 1 . 121 . 1 1 9 ARG HG2 H 37.076 -10.282 4.516 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c25474_2mz6 1 . 1 . 122 . 1 1 9 ARG HG3 H 37.219 -8.525 4.451 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c25474_2mz6 1 . 1 . 123 . 1 1 9 ARG HH11 H 38.916 -9.958 8.274 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c25474_2mz6 1 . 1 . 124 . 1 1 9 ARG HH12 H 40.555 -9.598 8.696 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c25474_2mz6 1 . 1 . 125 . 1 1 9 ARG HH21 H 41.184 -7.746 5.838 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c25474_2mz6 1 . 1 . 126 . 1 1 9 ARG HH22 H 41.833 -8.351 7.325 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c25474_2mz6 1 . 1 . 127 . 1 1 9 ARG N N 33.862 -9.271 3.422 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c25474_2mz6 1 . 1 . 128 . 1 1 9 ARG NE N 38.933 -8.724 6.104 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c25474_2mz6 1 . 1 . 129 . 1 1 9 ARG NH1 N 39.788 -9.518 8.060 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c25474_2mz6 1 . 1 . 130 . 1 1 9 ARG NH2 N 41.071 -8.268 6.684 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c25474_2mz6 1 . 1 . 131 . 1 1 9 ARG O O 32.568 -10.587 5.544 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c25474_2mz6 1 . 1 . 132 . 1 1 10 ARG C C 31.642 -13.161 5.517 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c25474_2mz6 1 . 1 . 133 . 1 1 10 ARG CA C 33.047 -13.176 6.148 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c25474_2mz6 1 . 1 . 134 . 1 1 10 ARG CB C 33.038 -12.598 7.569 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c25474_2mz6 1 . 1 . 135 . 1 1 10 ARG CD C 33.508 -13.578 9.822 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c25474_2mz6 1 . 1 . 136 . 1 1 10 ARG CG C 32.639 -13.689 8.566 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c25474_2mz6 1 . 1 . 137 . 1 1 10 ARG CZ C 34.244 -15.255 11.430 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c25474_2mz6 1 . 1 . 138 . 1 1 10 ARG H H 34.820 -12.625 5.051 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c25474_2mz6 1 . 1 . 139 . 1 1 10 ARG HA H 33.437 -14.182 6.165 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c25474_2mz6 1 . 1 . 140 . 1 1 10 ARG HB2 H 34.025 -12.231 7.812 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c25474_2mz6 1 . 1 . 141 . 1 1 10 ARG HB3 H 32.330 -11.785 7.624 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c25474_2mz6 1 . 1 . 142 . 1 1 10 ARG HD2 H 34.436 -13.074 9.591 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c25474_2mz6 1 . 1 . 143 . 1 1 10 ARG HD3 H 32.977 -13.054 10.601 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c25474_2mz6 1 . 1 . 144 . 1 1 10 ARG HE H 33.580 -15.721 9.616 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c25474_2mz6 1 . 1 . 145 . 1 1 10 ARG HG2 H 31.600 -13.568 8.836 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c25474_2mz6 1 . 1 . 146 . 1 1 10 ARG HG3 H 32.783 -14.660 8.116 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c25474_2mz6 1 . 1 . 147 . 1 1 10 ARG HH11 H 34.338 -13.340 12.025 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c25474_2mz6 1 . 1 . 148 . 1 1 10 ARG HH12 H 34.866 -14.510 13.184 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c25474_2mz6 1 . 1 . 149 . 1 1 10 ARG HH21 H 34.269 -17.234 11.130 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c25474_2mz6 1 . 1 . 150 . 1 1 10 ARG HH22 H 34.828 -16.704 12.682 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c25474_2mz6 1 . 1 . 151 . 1 1 10 ARG N N 33.963 -12.280 5.380 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c25474_2mz6 1 . 1 . 152 . 1 1 10 ARG NE N 33.767 -14.987 10.239 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c25474_2mz6 1 . 1 . 153 . 1 1 10 ARG NH1 N 34.503 -14.292 12.279 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c25474_2mz6 1 . 1 . 154 . 1 1 10 ARG NH2 N 34.464 -16.494 11.774 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c25474_2mz6 1 . 1 . 155 . 1 1 10 ARG O O 31.495 -13.355 4.326 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c25474_2mz6 1 . 1 . 156 . 1 1 11 ARG C C 28.685 -11.483 5.715 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . c25474_2mz6 1 . 1 . 157 . 1 1 11 ARG CA C 29.234 -12.912 5.719 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . c25474_2mz6 1 . 1 . 158 . 1 1 11 ARG CB C 28.404 -13.804 6.644 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . c25474_2mz6 1 . 1 . 159 . 1 1 11 ARG CD C 27.336 -15.950 5.917 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . c25474_2mz6 1 . 1 . 160 . 1 1 11 ARG CG C 27.243 -14.423 5.859 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . c25474_2mz6 1 . 1 . 161 . 1 1 11 ARG CZ C 27.206 -16.278 3.505 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . c25474_2mz6 1 . 1 . 162 . 1 1 11 ARG H H 30.740 -12.780 7.250 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . c25474_2mz6 1 . 1 . 163 . 1 1 11 ARG HA H 29.236 -13.319 4.720 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . c25474_2mz6 1 . 1 . 164 . 1 1 11 ARG HB2 H 29.031 -14.589 7.044 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . c25474_2mz6 1 . 1 . 165 . 1 1 11 ARG HB3 H 28.010 -13.211 7.456 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . c25474_2mz6 1 . 1 . 166 . 1 1 11 ARG HD2 H 27.984 -16.256 6.728 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . c25474_2mz6 1 . 1 . 167 . 1 1 11 ARG HD3 H 26.355 -16.384 6.035 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . c25474_2mz6 1 . 1 . 168 . 1 1 11 ARG HE H 28.843 -16.674 4.561 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . c25474_2mz6 1 . 1 . 169 . 1 1 11 ARG HG2 H 26.306 -14.103 6.292 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . c25474_2mz6 1 . 1 . 170 . 1 1 11 ARG HG3 H 27.291 -14.101 4.829 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . c25474_2mz6 1 . 1 . 171 . 1 1 11 ARG HH11 H 25.555 -15.572 4.403 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . c25474_2mz6 1 . 1 . 172 . 1 1 11 ARG HH12 H 25.438 -15.798 2.691 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . c25474_2mz6 1 . 1 . 173 . 1 1 11 ARG HH21 H 28.680 -16.963 2.337 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . c25474_2mz6 1 . 1 . 174 . 1 1 11 ARG HH22 H 27.197 -16.582 1.526 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . c25474_2mz6 1 . 1 . 175 . 1 1 11 ARG N N 30.611 -12.935 6.294 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . c25474_2mz6 1 . 1 . 176 . 1 1 11 ARG NE N 27.918 -16.352 4.604 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . c25474_2mz6 1 . 1 . 177 . 1 1 11 ARG NH1 N 25.970 -15.849 3.537 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . c25474_2mz6 1 . 1 . 178 . 1 1 11 ARG NH2 N 27.736 -16.635 2.367 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . c25474_2mz6 1 . 1 . 179 . 1 1 11 ARG O O 27.564 -11.238 6.119 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . c25474_2mz6 1 . 1 . 180 . 1 1 12 PHE C C 29.768 -8.329 4.172 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25474_2mz6 1 . 1 . 181 . 1 1 12 PHE CA C 28.991 -9.125 5.230 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25474_2mz6 1 . 1 . 182 . 1 1 12 PHE CB C 29.248 -8.592 6.651 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25474_2mz6 1 . 1 . 183 . 1 1 12 PHE CD1 C 30.416 -6.373 6.363 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25474_2mz6 1 . 1 . 184 . 1 1 12 PHE CD2 C 31.725 -8.300 7.038 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25474_2mz6 1 . 1 . 185 . 1 1 12 PHE CE1 C 31.569 -5.579 6.395 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25474_2mz6 1 . 1 . 186 . 1 1 12 PHE CE2 C 32.877 -7.506 7.070 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25474_2mz6 1 . 1 . 187 . 1 1 12 PHE CG C 30.494 -7.734 6.685 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25474_2mz6 1 . 1 . 188 . 1 1 12 PHE CZ C 32.799 -6.146 6.748 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25474_2mz6 1 . 1 . 189 . 1 1 12 PHE H H 30.365 -10.760 4.942 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25474_2mz6 1 . 1 . 190 . 1 1 12 PHE HA H 27.934 -9.093 5.015 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25474_2mz6 1 . 1 . 191 . 1 1 12 PHE HB2 H 28.402 -8.001 6.968 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25474_2mz6 1 . 1 . 192 . 1 1 12 PHE HB3 H 29.371 -9.426 7.326 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25474_2mz6 1 . 1 . 193 . 1 1 12 PHE HD1 H 29.467 -5.936 6.091 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25474_2mz6 1 . 1 . 194 . 1 1 12 PHE HD2 H 31.785 -9.349 7.286 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25474_2mz6 1 . 1 . 195 . 1 1 12 PHE HE1 H 31.509 -4.530 6.147 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25474_2mz6 1 . 1 . 196 . 1 1 12 PHE HE2 H 33.827 -7.943 7.343 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25474_2mz6 1 . 1 . 197 . 1 1 12 PHE HZ H 33.689 -5.533 6.773 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25474_2mz6 1 . 1 . 198 . 1 1 12 PHE N N 29.466 -10.539 5.262 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25474_2mz6 1 . 1 . 199 . 1 1 12 PHE O O 30.923 -8.598 3.905 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25474_2mz6 1 . 1 . 200 . 1 1 13 CYS C C 29.460 -5.065 2.671 . . . 1.0 . . . . . . . . . . . . A . 13 CYS C . . . . . . . . . c25474_2mz6 1 . 1 . 201 . 1 1 13 CYS CA C 29.838 -6.542 2.531 . . . 1.0 . . . . . . . . . . . . A . 13 CYS CA . . . . . . . . . c25474_2mz6 1 . 1 . 202 . 1 1 13 CYS CB C 29.341 -7.099 1.196 . . . 1.0 . . . . . . . . . . . . A . 13 CYS CB . . . . . . . . . c25474_2mz6 1 . 1 . 203 . 1 1 13 CYS H H 28.209 -7.155 3.803 . . . 1.0 . . . . . . . . . . . . A . 13 CYS H . . . . . . . . . c25474_2mz6 1 . 1 . 204 . 1 1 13 CYS HA H 30.906 -6.668 2.610 . . . 1.0 . . . . . . . . . . . . A . 13 CYS HA . . . . . . . . . c25474_2mz6 1 . 1 . 205 . 1 1 13 CYS HB2 H 29.016 -8.120 1.331 . . . 1.0 . . . . . . . . . . . . A . 13 CYS HB2 . . . . . . . . . c25474_2mz6 1 . 1 . 206 . 1 1 13 CYS HB3 H 28.514 -6.501 0.843 . . . 1.0 . . . . . . . . . . . . A . 13 CYS HB3 . . . . . . . . . c25474_2mz6 1 . 1 . 207 . 1 1 13 CYS N N 29.140 -7.354 3.571 . . . 1.0 . . . . . . . . . . . . A . 13 CYS N . . . . . . . . . c25474_2mz6 1 . 1 . 208 . 1 1 13 CYS O O 28.370 -4.731 3.092 . . . 1.0 . . . . . . . . . . . . A . 13 CYS O . . . . . . . . . c25474_2mz6 1 . 1 . 209 . 1 1 13 CYS SG S 30.683 -7.049 -0.018 . . . 1.0 . . . . . . . . . . . . A . 13 CYS SG . . . . . . . . . c25474_2mz6 1 . 1 . 210 . 1 1 14 VAL C C 30.703 -1.956 1.275 . . . 1.0 . . . . . . . . . . . . A . 14 VAL C . . . . . . . . . c25474_2mz6 1 . 1 . 211 . 1 1 14 VAL CA C 30.048 -2.723 2.429 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CA . . . . . . . . . c25474_2mz6 1 . 1 . 212 . 1 1 14 VAL CB C 30.641 -2.294 3.774 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CB . . . . . . . . . c25474_2mz6 1 . 1 . 213 . 1 1 14 VAL CG1 C 32.152 -2.536 3.775 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG1 . . . . . . . . . c25474_2mz6 1 . 1 . 214 . 1 1 14 VAL CG2 C 30.365 -0.806 4.003 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG2 . . . . . . . . . c25474_2mz6 1 . 1 . 215 . 1 1 14 VAL H H 31.226 -4.472 1.981 . . . 1.0 . . . . . . . . . . . . A . 14 VAL H . . . . . . . . . c25474_2mz6 1 . 1 . 216 . 1 1 14 VAL HA H 28.982 -2.562 2.429 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HA . . . . . . . . . c25474_2mz6 1 . 1 . 217 . 1 1 14 VAL HB H 30.186 -2.871 4.566 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HB . . . . . . . . . c25474_2mz6 1 . 1 . 218 . 1 1 14 VAL HG11 H 32.354 -3.550 3.460 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG11 . . . . . . . . . c25474_2mz6 1 . 1 . 219 . 1 1 14 VAL HG12 H 32.541 -2.384 4.771 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG12 . . . . . . . . . c25474_2mz6 1 . 1 . 220 . 1 1 14 VAL HG13 H 32.628 -1.847 3.093 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG13 . . . . . . . . . c25474_2mz6 1 . 1 . 221 . 1 1 14 VAL HG21 H 29.427 -0.538 3.539 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG21 . . . . . . . . . c25474_2mz6 1 . 1 . 222 . 1 1 14 VAL HG22 H 31.162 -0.221 3.568 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG22 . . . . . . . . . c25474_2mz6 1 . 1 . 223 . 1 1 14 VAL HG23 H 30.311 -0.608 5.063 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG23 . . . . . . . . . c25474_2mz6 1 . 1 . 224 . 1 1 14 VAL N N 30.353 -4.179 2.319 . . . 1.0 . . . . . . . . . . . . A . 14 VAL N . . . . . . . . . c25474_2mz6 1 . 1 . 225 . 1 1 14 VAL O O 31.866 -2.146 0.974 . . . 1.0 . . . . . . . . . . . . A . 14 VAL O . . . . . . . . . c25474_2mz6 1 . 1 . 226 . 1 1 15 CYS C C 30.366 1.185 -0.262 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . c25474_2mz6 1 . 1 . 227 . 1 1 15 CYS CA C 30.542 -0.316 -0.506 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . c25474_2mz6 1 . 1 . 228 . 1 1 15 CYS CB C 29.746 -0.757 -1.734 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . c25474_2mz6 1 . 1 . 229 . 1 1 15 CYS H H 29.030 -0.959 0.889 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . c25474_2mz6 1 . 1 . 230 . 1 1 15 CYS HA H 31.585 -0.557 -0.637 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . c25474_2mz6 1 . 1 . 231 . 1 1 15 CYS HB2 H 28.690 -0.732 -1.507 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . c25474_2mz6 1 . 1 . 232 . 1 1 15 CYS HB3 H 29.953 -0.089 -2.557 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . c25474_2mz6 1 . 1 . 233 . 1 1 15 CYS N N 29.965 -1.094 0.628 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . c25474_2mz6 1 . 1 . 234 . 1 1 15 CYS O O 29.417 1.614 0.364 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . c25474_2mz6 1 . 1 . 235 . 1 1 15 CYS SG S 30.224 -2.442 -2.191 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . c25474_2mz6 1 . 1 . 236 . 1 1 16 VAL C C 31.509 4.200 -1.848 . . . 1.0 . . . . . . . . . . . . A . 16 VAL C . . . . . . . . . c25474_2mz6 1 . 1 . 237 . 1 1 16 VAL CA C 31.162 3.461 -0.552 . . . 1.0 . . . . . . . . . . . . A . 16 VAL CA . . . . . . . . . c25474_2mz6 1 . 1 . 238 . 1 1 16 VAL CB C 32.176 3.793 0.546 . . . 1.0 . . . . . . . . . . . . A . 16 VAL CB . . . . . . . . . c25474_2mz6 1 . 1 . 239 . 1 1 16 VAL CG1 C 31.791 3.061 1.833 . . . 1.0 . . . . . . . . . . . . A . 16 VAL CG1 . . . . . . . . . c25474_2mz6 1 . 1 . 240 . 1 1 16 VAL CG2 C 33.578 3.353 0.107 . . . 1.0 . . . . . . . . . . . . A . 16 VAL CG2 . . . . . . . . . c25474_2mz6 1 . 1 . 241 . 1 1 16 VAL H H 32.031 1.617 -1.256 . . . 1.0 . . . . . . . . . . . . A . 16 VAL H . . . . . . . . . c25474_2mz6 1 . 1 . 242 . 1 1 16 VAL HA H 30.168 3.721 -0.226 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HA . . . . . . . . . c25474_2mz6 1 . 1 . 243 . 1 1 16 VAL HB H 32.172 4.858 0.726 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HB . . . . . . . . . c25474_2mz6 1 . 1 . 244 . 1 1 16 VAL HG11 H 31.865 1.995 1.677 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG11 . . . . . . . . . c25474_2mz6 1 . 1 . 245 . 1 1 16 VAL HG12 H 30.776 3.315 2.102 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG12 . . . . . . . . . c25474_2mz6 1 . 1 . 246 . 1 1 16 VAL HG13 H 32.459 3.356 2.629 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG13 . . . . . . . . . c25474_2mz6 1 . 1 . 247 . 1 1 16 VAL HG21 H 33.525 2.894 -0.869 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG21 . . . . . . . . . c25474_2mz6 1 . 1 . 248 . 1 1 16 VAL HG22 H 33.973 2.641 0.817 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG22 . . . . . . . . . c25474_2mz6 1 . 1 . 249 . 1 1 16 VAL HG23 H 34.228 4.215 0.063 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG23 . . . . . . . . . c25474_2mz6 1 . 1 . 250 . 1 1 16 VAL N N 31.274 1.986 -0.754 . . . 1.0 . . . . . . . . . . . . A . 16 VAL N . . . . . . . . . c25474_2mz6 1 . 1 . 251 . 1 1 16 VAL O O 32.379 3.790 -2.593 . . . 1.0 . . . . . . . . . . . . A . 16 VAL O . . . . . . . . . c25474_2mz6 1 . 1 . 252 . 1 1 17 GLY C C 30.877 7.540 -3.122 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c25474_2mz6 1 . 1 . 253 . 1 1 17 GLY CA C 31.126 6.051 -3.367 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c25474_2mz6 1 . 1 . 254 . 1 1 17 GLY H H 30.140 5.597 -1.506 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c25474_2mz6 1 . 1 . 255 . 1 1 17 GLY HA2 H 32.158 5.899 -3.651 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c25474_2mz6 1 . 1 . 256 . 1 1 17 GLY HA3 H 30.479 5.708 -4.160 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c25474_2mz6 1 . 1 . 257 . 1 1 17 GLY N N 30.836 5.285 -2.121 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c25474_2mz6 1 . 1 . 258 . 1 1 17 GLY O O 30.160 7.918 -2.216 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c25474_2mz6 1 . 1 . 259 . 1 1 18 ARG C C 30.758 10.488 -5.038 . . . 1.0 . . . . . . . . . . . . A . 18 ARG C . . . . . . . . . c25474_2mz6 1 . 1 . 260 . 1 1 18 ARG CA C 31.263 9.856 -3.738 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CA . . . . . . . . . c25474_2mz6 1 . 1 . 261 . 1 1 18 ARG CB C 32.645 10.403 -3.377 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CB . . . . . . . . . c25474_2mz6 1 . 1 . 262 . 1 1 18 ARG CD C 33.339 11.155 -1.091 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CD . . . . . . . . . c25474_2mz6 1 . 1 . 263 . 1 1 18 ARG CG C 32.502 11.507 -2.324 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CG . . . . . . . . . c25474_2mz6 1 . 1 . 264 . 1 1 18 ARG CZ C 34.656 13.205 -1.111 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CZ . . . . . . . . . c25474_2mz6 1 . 1 . 265 . 1 1 18 ARG H H 32.038 8.061 -4.647 . . . 1.0 . . . . . . . . . . . . A . 18 ARG H . . . . . . . . . c25474_2mz6 1 . 1 . 266 . 1 1 18 ARG HA H 30.570 10.043 -2.933 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HA . . . . . . . . . c25474_2mz6 1 . 1 . 267 . 1 1 18 ARG HB2 H 33.255 9.603 -2.983 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HB2 . . . . . . . . . c25474_2mz6 1 . 1 . 268 . 1 1 18 ARG HB3 H 33.112 10.810 -4.260 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HB3 . . . . . . . . . c25474_2mz6 1 . 1 . 269 . 1 1 18 ARG HD2 H 32.742 10.599 -0.380 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HD2 . . . . . . . . . c25474_2mz6 1 . 1 . 270 . 1 1 18 ARG HD3 H 34.210 10.587 -1.377 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HD3 . . . . . . . . . c25474_2mz6 1 . 1 . 271 . 1 1 18 ARG HE H 33.337 12.784 0.315 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HE . . . . . . . . . c25474_2mz6 1 . 1 . 272 . 1 1 18 ARG HG2 H 32.847 12.444 -2.737 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HG2 . . . . . . . . . c25474_2mz6 1 . 1 . 273 . 1 1 18 ARG HG3 H 31.465 11.602 -2.037 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HG3 . . . . . . . . . c25474_2mz6 1 . 1 . 274 . 1 1 18 ARG HH11 H 34.966 11.929 -2.629 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH11 . . . . . . . . . c25474_2mz6 1 . 1 . 275 . 1 1 18 ARG HH12 H 35.911 13.377 -2.664 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH12 . . . . . . . . . c25474_2mz6 1 . 1 . 276 . 1 1 18 ARG HH21 H 34.571 14.663 0.259 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH21 . . . . . . . . . c25474_2mz6 1 . 1 . 277 . 1 1 18 ARG HH22 H 35.690 14.918 -1.039 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH22 . . . . . . . . . c25474_2mz6 1 . 1 . 278 . 1 1 18 ARG N N 31.464 8.389 -3.923 . . . 1.0 . . . . . . . . . . . . A . 18 ARG N . . . . . . . . . c25474_2mz6 1 . 1 . 279 . 1 1 18 ARG NE N 33.749 12.468 -0.516 . . . 1.0 . . . . . . . . . . . . A . 18 ARG NE . . . . . . . . . c25474_2mz6 1 . 1 . 280 . 1 1 18 ARG NH1 N 35.221 12.805 -2.221 . . . 1.0 . . . . . . . . . . . . A . 18 ARG NH1 . . . . . . . . . c25474_2mz6 1 . 1 . 281 . 1 1 18 ARG NH2 N 34.999 14.352 -0.590 . . . 1.0 . . . . . . . . . . . . A . 18 ARG NH2 . . . . . . . . . c25474_2mz6 1 . 1 . 282 . 1 1 18 ARG O O 31.210 10.071 -6.091 . . . 1.0 . . . . . . . . . . . . A . 18 ARG O . . . . . . . . . c25474_2mz6 1 . 1 . 283 . 1 1 18 ARG OXT O 29.927 11.378 -4.957 . . . 1.0 . . . . . . . . . . . . A . 18 ARG OXT . . . . . . . . . c25474_2mz6 1 . 1 . 284 . 2 1 1 ARG C C 17.495 -7.602 3.860 . . . 1.0 . . . . . . . . . . . . B . 1 ARG C . . . . . . . . . c25474_2mz6 1 . 1 . 285 . 2 1 1 ARG CA C 17.042 -6.342 4.603 . . . 1.0 . . . . . . . . . . . . B . 1 ARG CA . . . . . . . . . c25474_2mz6 1 . 1 . 286 . 2 1 1 ARG CB C 17.471 -5.087 3.841 . . . 1.0 . . . . . . . . . . . . B . 1 ARG CB . . . . . . . . . c25474_2mz6 1 . 1 . 287 . 2 1 1 ARG CD C 17.858 -3.215 5.453 . . . 1.0 . . . . . . . . . . . . B . 1 ARG CD . . . . . . . . . c25474_2mz6 1 . 1 . 288 . 2 1 1 ARG CG C 16.848 -3.853 4.496 . . . 1.0 . . . . . . . . . . . . B . 1 ARG CG . . . . . . . . . c25474_2mz6 1 . 1 . 289 . 2 1 1 ARG CZ C 18.622 -0.915 5.708 . . . 1.0 . . . . . . . . . . . . B . 1 ARG CZ . . . . . . . . . c25474_2mz6 1 . 1 . 290 . 2 1 1 ARG H1 H 17.645 -7.153 6.425 . . . 1.0 . . . . . . . . . . . . B . 1 ARG H1 . . . . . . . . . c25474_2mz6 1 . 1 . 291 . 2 1 1 ARG H2 H 17.290 -5.493 6.489 . . . 1.0 . . . . . . . . . . . . B . 1 ARG H2 . . . . . . . . . c25474_2mz6 1 . 1 . 292 . 2 1 1 ARG H3 H 18.736 -6.028 5.775 . . . 1.0 . . . . . . . . . . . . B . 1 ARG H3 . . . . . . . . . c25474_2mz6 1 . 1 . 293 . 2 1 1 ARG HA H 15.972 -6.346 4.734 . . . 1.0 . . . . . . . . . . . . B . 1 ARG HA . . . . . . . . . c25474_2mz6 1 . 1 . 294 . 2 1 1 ARG HB2 H 18.548 -5.004 3.863 . . . 1.0 . . . . . . . . . . . . B . 1 ARG HB2 . . . . . . . . . c25474_2mz6 1 . 1 . 295 . 2 1 1 ARG HB3 H 17.137 -5.156 2.816 . . . 1.0 . . . . . . . . . . . . B . 1 ARG HB3 . . . . . . . . . c25474_2mz6 1 . 1 . 296 . 2 1 1 ARG HD2 H 17.615 -3.467 6.476 . . . 1.0 . . . . . . . . . . . . B . 1 ARG HD2 . . . . . . . . . c25474_2mz6 1 . 1 . 297 . 2 1 1 ARG HD3 H 18.860 -3.536 5.213 . . . 1.0 . . . . . . . . . . . . B . 1 ARG HD3 . . . . . . . . . c25474_2mz6 1 . 1 . 298 . 2 1 1 ARG HE H 16.962 -1.396 4.727 . . . 1.0 . . . . . . . . . . . . B . 1 ARG HE . . . . . . . . . c25474_2mz6 1 . 1 . 299 . 2 1 1 ARG HG2 H 16.576 -3.139 3.731 . . . 1.0 . . . . . . . . . . . . B . 1 ARG HG2 . . . . . . . . . c25474_2mz6 1 . 1 . 300 . 2 1 1 ARG HG3 H 15.966 -4.143 5.047 . . . 1.0 . . . . . . . . . . . . B . 1 ARG HG3 . . . . . . . . . c25474_2mz6 1 . 1 . 301 . 2 1 1 ARG HH11 H 19.765 -2.338 6.543 . . . 1.0 . . . . . . . . . . . . B . 1 ARG HH11 . . . . . . . . . c25474_2mz6 1 . 1 . 302 . 2 1 1 ARG HH12 H 20.328 -0.713 6.741 . . . 1.0 . . . . . . . . . . . . B . 1 ARG HH12 . . . . . . . . . c25474_2mz6 1 . 1 . 303 . 2 1 1 ARG HH21 H 17.701 0.712 4.990 . . . 1.0 . . . . . . . . . . . . B . 1 ARG HH21 . . . . . . . . . c25474_2mz6 1 . 1 . 304 . 2 1 1 ARG HH22 H 19.166 1.006 5.867 . . . 1.0 . . . . . . . . . . . . B . 1 ARG HH22 . . . . . . . . . c25474_2mz6 1 . 1 . 305 . 2 1 1 ARG N N 17.730 -6.247 5.923 . . . 1.0 . . . . . . . . . . . . B . 1 ARG N . . . . . . . . . c25474_2mz6 1 . 1 . 306 . 2 1 1 ARG NE N 17.726 -1.745 5.232 . . . 1.0 . . . . . . . . . . . . B . 1 ARG NE . . . . . . . . . c25474_2mz6 1 . 1 . 307 . 2 1 1 ARG NH1 N 19.652 -1.358 6.383 . . . 1.0 . . . . . . . . . . . . B . 1 ARG NH1 . . . . . . . . . c25474_2mz6 1 . 1 . 308 . 2 1 1 ARG NH2 N 18.486 0.367 5.506 . . . 1.0 . . . . . . . . . . . . B . 1 ARG NH2 . . . . . . . . . c25474_2mz6 1 . 1 . 309 . 2 1 1 ARG O O 18.371 -8.316 4.308 . . . 1.0 . . . . . . . . . . . . B . 1 ARG O . . . . . . . . . c25474_2mz6 1 . 1 . 310 . 2 1 2 GLY C C 18.035 -8.665 0.680 . . . 1.0 . . . . . . . . . . . . B . 2 GLY C . . . . . . . . . c25474_2mz6 1 . 1 . 311 . 2 1 2 GLY CA C 17.300 -9.089 1.953 . . . 1.0 . . . . . . . . . . . . B . 2 GLY CA . . . . . . . . . c25474_2mz6 1 . 1 . 312 . 2 1 2 GLY H H 16.202 -7.286 2.385 . . . 1.0 . . . . . . . . . . . . B . 2 GLY H . . . . . . . . . c25474_2mz6 1 . 1 . 313 . 2 1 2 GLY HA2 H 17.950 -9.706 2.558 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA2 . . . . . . . . . c25474_2mz6 1 . 1 . 314 . 2 1 2 GLY HA3 H 16.417 -9.649 1.685 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA3 . . . . . . . . . c25474_2mz6 1 . 1 . 315 . 2 1 2 GLY N N 16.905 -7.877 2.727 . . . 1.0 . . . . . . . . . . . . B . 2 GLY N . . . . . . . . . c25474_2mz6 1 . 1 . 316 . 2 1 2 GLY O O 17.885 -7.555 0.208 . . . 1.0 . . . . . . . . . . . . B . 2 GLY O . . . . . . . . . c25474_2mz6 1 . 1 . 317 . 2 1 3 GLY C C 20.637 -8.135 -0.797 . . . 1.0 . . . . . . . . . . . . B . 3 GLY C . . . . . . . . . c25474_2mz6 1 . 1 . 318 . 2 1 3 GLY CA C 19.575 -9.187 -1.119 . . . 1.0 . . . . . . . . . . . . B . 3 GLY CA . . . . . . . . . c25474_2mz6 1 . 1 . 319 . 2 1 3 GLY H H 18.935 -10.428 0.522 . . . 1.0 . . . . . . . . . . . . B . 3 GLY H . . . . . . . . . c25474_2mz6 1 . 1 . 320 . 2 1 3 GLY HA2 H 20.052 -10.073 -1.515 . . . 1.0 . . . . . . . . . . . . B . 3 GLY HA2 . . . . . . . . . c25474_2mz6 1 . 1 . 321 . 2 1 3 GLY HA3 H 18.889 -8.789 -1.851 . . . 1.0 . . . . . . . . . . . . B . 3 GLY HA3 . . . . . . . . . c25474_2mz6 1 . 1 . 322 . 2 1 3 GLY N N 18.829 -9.539 0.123 . . . 1.0 . . . . . . . . . . . . B . 3 GLY N . . . . . . . . . c25474_2mz6 1 . 1 . 323 . 2 1 3 GLY O O 21.250 -8.160 0.253 . . . 1.0 . . . . . . . . . . . . B . 3 GLY O . . . . . . . . . c25474_2mz6 1 . 1 . 324 . 2 1 4 GLY C C 21.224 -4.775 -1.520 . . . 1.0 . . . . . . . . . . . . B . 4 GLY C . . . . . . . . . c25474_2mz6 1 . 1 . 325 . 2 1 4 GLY CA C 21.882 -6.154 -1.439 . . . 1.0 . . . . . . . . . . . . B . 4 GLY CA . . . . . . . . . c25474_2mz6 1 . 1 . 326 . 2 1 4 GLY H H 20.353 -7.209 -2.531 . . . 1.0 . . . . . . . . . . . . B . 4 GLY H . . . . . . . . . c25474_2mz6 1 . 1 . 327 . 2 1 4 GLY HA2 H 22.308 -6.295 -0.456 . . . 1.0 . . . . . . . . . . . . B . 4 GLY HA2 . . . . . . . . . c25474_2mz6 1 . 1 . 328 . 2 1 4 GLY HA3 H 22.661 -6.221 -2.183 . . . 1.0 . . . . . . . . . . . . B . 4 GLY HA3 . . . . . . . . . c25474_2mz6 1 . 1 . 329 . 2 1 4 GLY N N 20.859 -7.209 -1.692 . . . 1.0 . . . . . . . . . . . . B . 4 GLY N . . . . . . . . . c25474_2mz6 1 . 1 . 330 . 2 1 4 GLY O O 20.338 -4.546 -2.319 . . . 1.0 . . . . . . . . . . . . B . 4 GLY O . . . . . . . . . c25474_2mz6 1 . 1 . 331 . 2 1 5 LEU C C 22.107 -1.459 -1.145 . . . 1.0 . . . . . . . . . . . . B . 5 LEU C . . . . . . . . . c25474_2mz6 1 . 1 . 332 . 2 1 5 LEU CA C 21.054 -2.489 -0.724 . . . 1.0 . . . . . . . . . . . . B . 5 LEU CA . . . . . . . . . c25474_2mz6 1 . 1 . 333 . 2 1 5 LEU CB C 20.590 -2.229 0.712 . . . 1.0 . . . . . . . . . . . . B . 5 LEU CB . . . . . . . . . c25474_2mz6 1 . 1 . 334 . 2 1 5 LEU CD1 C 18.419 -3.466 0.693 . . . 1.0 . . . . . . . . . . . . B . 5 LEU CD1 . . . . . . . . . c25474_2mz6 1 . 1 . 335 . 2 1 5 LEU CD2 C 18.648 -1.367 2.027 . . . 1.0 . . . . . . . . . . . . B . 5 LEU CD2 . . . . . . . . . c25474_2mz6 1 . 1 . 336 . 2 1 5 LEU CG C 19.067 -2.082 0.740 . . . 1.0 . . . . . . . . . . . . B . 5 LEU CG . . . . . . . . . c25474_2mz6 1 . 1 . 337 . 2 1 5 LEU H H 22.369 -4.063 -0.061 . . . 1.0 . . . . . . . . . . . . B . 5 LEU H . . . . . . . . . c25474_2mz6 1 . 1 . 338 . 2 1 5 LEU HA H 20.211 -2.461 -1.396 . . . 1.0 . . . . . . . . . . . . B . 5 LEU HA . . . . . . . . . c25474_2mz6 1 . 1 . 339 . 2 1 5 LEU HB2 H 20.883 -3.057 1.341 . . . 1.0 . . . . . . . . . . . . B . 5 LEU HB2 . . . . . . . . . c25474_2mz6 1 . 1 . 340 . 2 1 5 LEU HB3 H 21.043 -1.320 1.079 . . . 1.0 . . . . . . . . . . . . B . 5 LEU HB3 . . . . . . . . . c25474_2mz6 1 . 1 . 341 . 2 1 5 LEU HD11 H 19.025 -4.127 0.090 . . . 1.0 . . . . . . . . . . . . B . 5 LEU HD11 . . . . . . . . . c25474_2mz6 1 . 1 . 342 . 2 1 5 LEU HD12 H 17.433 -3.388 0.259 . . . 1.0 . . . . . . . . . . . . B . 5 LEU HD12 . . . . . . . . . c25474_2mz6 1 . 1 . 343 . 2 1 5 LEU HD13 H 18.342 -3.862 1.695 . . . 1.0 . . . . . . . . . . . . B . 5 LEU HD13 . . . . . . . . . c25474_2mz6 1 . 1 . 344 . 2 1 5 LEU HD21 H 19.070 -0.374 2.041 . . . 1.0 . . . . . . . . . . . . B . 5 LEU HD21 . . . . . . . . . c25474_2mz6 1 . 1 . 345 . 2 1 5 LEU HD22 H 19.007 -1.923 2.880 . . . 1.0 . . . . . . . . . . . . B . 5 LEU HD22 . . . . . . . . . c25474_2mz6 1 . 1 . 346 . 2 1 5 LEU HD23 H 17.570 -1.302 2.067 . . . 1.0 . . . . . . . . . . . . B . 5 LEU HD23 . . . . . . . . . c25474_2mz6 1 . 1 . 347 . 2 1 5 LEU HG H 18.746 -1.505 -0.116 . . . 1.0 . . . . . . . . . . . . B . 5 LEU HG . . . . . . . . . c25474_2mz6 1 . 1 . 348 . 2 1 5 LEU N N 21.653 -3.855 -0.697 . . . 1.0 . . . . . . . . . . . . B . 5 LEU N . . . . . . . . . c25474_2mz6 1 . 1 . 349 . 2 1 5 LEU O O 23.283 -1.618 -0.882 . . . 1.0 . . . . . . . . . . . . B . 5 LEU O . . . . . . . . . c25474_2mz6 1 . 1 . 350 . 2 1 6 CYS C C 21.930 1.937 -2.569 . . . 1.0 . . . . . . . . . . . . B . 6 CYS C . . . . . . . . . c25474_2mz6 1 . 1 . 351 . 2 1 6 CYS CA C 22.666 0.635 -2.235 . . . 1.0 . . . . . . . . . . . . B . 6 CYS CA . . . . . . . . . c25474_2mz6 1 . 1 . 352 . 2 1 6 CYS CB C 23.333 0.047 -3.482 . . . 1.0 . . . . . . . . . . . . B . 6 CYS CB . . . . . . . . . c25474_2mz6 1 . 1 . 353 . 2 1 6 CYS H H 20.739 -0.299 -1.996 . . . 1.0 . . . . . . . . . . . . B . 6 CYS H . . . . . . . . . c25474_2mz6 1 . 1 . 354 . 2 1 6 CYS HA H 23.404 0.805 -1.467 . . . 1.0 . . . . . . . . . . . . B . 6 CYS HA . . . . . . . . . c25474_2mz6 1 . 1 . 355 . 2 1 6 CYS HB2 H 23.853 -0.861 -3.214 . . . 1.0 . . . . . . . . . . . . B . 6 CYS HB2 . . . . . . . . . c25474_2mz6 1 . 1 . 356 . 2 1 6 CYS HB3 H 22.576 -0.179 -4.219 . . . 1.0 . . . . . . . . . . . . B . 6 CYS HB3 . . . . . . . . . c25474_2mz6 1 . 1 . 357 . 2 1 6 CYS N N 21.692 -0.406 -1.796 . . . 1.0 . . . . . . . . . . . . B . 6 CYS N . . . . . . . . . c25474_2mz6 1 . 1 . 358 . 2 1 6 CYS O O 20.963 1.943 -3.305 . . . 1.0 . . . . . . . . . . . . B . 6 CYS O . . . . . . . . . c25474_2mz6 1 . 1 . 359 . 2 1 6 CYS SG S 24.516 1.233 -4.177 . . . 1.0 . . . . . . . . . . . . B . 6 CYS SG . . . . . . . . . c25474_2mz6 1 . 1 . 360 . 2 1 7 TYR C C 22.676 5.502 -2.065 . . . 1.0 . . . . . . . . . . . . B . 7 TYR C . . . . . . . . . c25474_2mz6 1 . 1 . 361 . 2 1 7 TYR CA C 21.707 4.341 -2.308 . . . 1.0 . . . . . . . . . . . . B . 7 TYR CA . . . . . . . . . c25474_2mz6 1 . 1 . 362 . 2 1 7 TYR CB C 20.538 4.401 -1.320 . . . 1.0 . . . . . . . . . . . . B . 7 TYR CB . . . . . . . . . c25474_2mz6 1 . 1 . 363 . 2 1 7 TYR CD1 C 19.011 5.793 -2.765 . . . 1.0 . . . . . . . . . . . . B . 7 TYR CD1 . . . . . . . . . c25474_2mz6 1 . 1 . 364 . 2 1 7 TYR CD2 C 18.275 3.587 -2.076 . . . 1.0 . . . . . . . . . . . . B . 7 TYR CD2 . . . . . . . . . c25474_2mz6 1 . 1 . 365 . 2 1 7 TYR CE1 C 17.810 5.976 -3.461 . . . 1.0 . . . . . . . . . . . . B . 7 TYR CE1 . . . . . . . . . c25474_2mz6 1 . 1 . 366 . 2 1 7 TYR CE2 C 17.075 3.770 -2.772 . . . 1.0 . . . . . . . . . . . . B . 7 TYR CE2 . . . . . . . . . c25474_2mz6 1 . 1 . 367 . 2 1 7 TYR CG C 19.244 4.599 -2.072 . . . 1.0 . . . . . . . . . . . . B . 7 TYR CG . . . . . . . . . c25474_2mz6 1 . 1 . 368 . 2 1 7 TYR CZ C 16.842 4.964 -3.465 . . . 1.0 . . . . . . . . . . . . B . 7 TYR CZ . . . . . . . . . c25474_2mz6 1 . 1 . 369 . 2 1 7 TYR H H 23.160 3.009 -1.435 . . . 1.0 . . . . . . . . . . . . B . 7 TYR H . . . . . . . . . c25474_2mz6 1 . 1 . 370 . 2 1 7 TYR HA H 21.337 4.363 -3.321 . . . 1.0 . . . . . . . . . . . . B . 7 TYR HA . . . . . . . . . c25474_2mz6 1 . 1 . 371 . 2 1 7 TYR HB2 H 20.491 3.478 -0.761 . . . 1.0 . . . . . . . . . . . . B . 7 TYR HB2 . . . . . . . . . c25474_2mz6 1 . 1 . 372 . 2 1 7 TYR HB3 H 20.685 5.226 -0.638 . . . 1.0 . . . . . . . . . . . . B . 7 TYR HB3 . . . . . . . . . c25474_2mz6 1 . 1 . 373 . 2 1 7 TYR HD1 H 19.758 6.573 -2.762 . . . 1.0 . . . . . . . . . . . . B . 7 TYR HD1 . . . . . . . . . c25474_2mz6 1 . 1 . 374 . 2 1 7 TYR HD2 H 18.455 2.666 -1.542 . . . 1.0 . . . . . . . . . . . . B . 7 TYR HD2 . . . . . . . . . c25474_2mz6 1 . 1 . 375 . 2 1 7 TYR HE1 H 17.630 6.897 -3.995 . . . 1.0 . . . . . . . . . . . . B . 7 TYR HE1 . . . . . . . . . c25474_2mz6 1 . 1 . 376 . 2 1 7 TYR HE2 H 16.328 2.990 -2.775 . . . 1.0 . . . . . . . . . . . . B . 7 TYR HE2 . . . . . . . . . c25474_2mz6 1 . 1 . 377 . 2 1 7 TYR HH H 15.605 4.472 -4.833 . . . 1.0 . . . . . . . . . . . . B . 7 TYR HH . . . . . . . . . c25474_2mz6 1 . 1 . 378 . 2 1 7 TYR N N 22.380 3.038 -2.028 . . . 1.0 . . . . . . . . . . . . B . 7 TYR N . . . . . . . . . c25474_2mz6 1 . 1 . 379 . 2 1 7 TYR O O 23.569 5.417 -1.245 . . . 1.0 . . . . . . . . . . . . B . 7 TYR O . . . . . . . . . c25474_2mz6 1 . 1 . 380 . 2 1 7 TYR OH O 15.658 5.145 -4.150 . . . 1.0 . . . . . . . . . . . . B . 7 TYR OH . . . . . . . . . c25474_2mz6 1 . 1 . 381 . 2 1 8 CYS C C 22.653 8.886 -1.866 . . . 1.0 . . . . . . . . . . . . B . 8 CYS C . . . . . . . . . c25474_2mz6 1 . 1 . 382 . 2 1 8 CYS CA C 23.408 7.761 -2.581 . . . 1.0 . . . . . . . . . . . . B . 8 CYS CA . . . . . . . . . c25474_2mz6 1 . 1 . 383 . 2 1 8 CYS CB C 23.807 8.202 -3.995 . . . 1.0 . . . . . . . . . . . . B . 8 CYS CB . . . . . . . . . c25474_2mz6 1 . 1 . 384 . 2 1 8 CYS H H 21.772 6.635 -3.424 . . . 1.0 . . . . . . . . . . . . B . 8 CYS H . . . . . . . . . c25474_2mz6 1 . 1 . 385 . 2 1 8 CYS HA H 24.285 7.476 -2.020 . . . 1.0 . . . . . . . . . . . . B . 8 CYS HA . . . . . . . . . c25474_2mz6 1 . 1 . 386 . 2 1 8 CYS HB2 H 22.949 8.633 -4.489 . . . 1.0 . . . . . . . . . . . . B . 8 CYS HB2 . . . . . . . . . c25474_2mz6 1 . 1 . 387 . 2 1 8 CYS HB3 H 24.589 8.944 -3.929 . . . 1.0 . . . . . . . . . . . . B . 8 CYS HB3 . . . . . . . . . c25474_2mz6 1 . 1 . 388 . 2 1 8 CYS N N 22.502 6.588 -2.771 . . . 1.0 . . . . . . . . . . . . B . 8 CYS N . . . . . . . . . c25474_2mz6 1 . 1 . 389 . 2 1 8 CYS O O 21.543 9.224 -2.228 . . . 1.0 . . . . . . . . . . . . B . 8 CYS O . . . . . . . . . c25474_2mz6 1 . 1 . 390 . 2 1 8 CYS SG S 24.403 6.784 -4.959 . . . 1.0 . . . . . . . . . . . . B . 8 CYS SG . . . . . . . . . c25474_2mz6 1 . 1 . 391 . 2 1 9 ARG C C 23.487 11.760 0.070 . . . 1.0 . . . . . . . . . . . . B . 9 ARG C . . . . . . . . . c25474_2mz6 1 . 1 . 392 . 2 1 9 ARG CA C 22.546 10.565 -0.118 . . . 1.0 . . . . . . . . . . . . B . 9 ARG CA . . . . . . . . . c25474_2mz6 1 . 1 . 393 . 2 1 9 ARG CB C 22.166 9.959 1.236 . . . 1.0 . . . . . . . . . . . . B . 9 ARG CB . . . . . . . . . c25474_2mz6 1 . 1 . 394 . 2 1 9 ARG CD C 20.073 8.978 2.191 . . . 1.0 . . . . . . . . . . . . B . 9 ARG CD . . . . . . . . . c25474_2mz6 1 . 1 . 395 . 2 1 9 ARG CG C 20.681 10.208 1.512 . . . 1.0 . . . . . . . . . . . . B . 9 ARG CG . . . . . . . . . c25474_2mz6 1 . 1 . 396 . 2 1 9 ARG CZ C 17.999 9.008 0.910 . . . 1.0 . . . . . . . . . . . . B . 9 ARG CZ . . . . . . . . . c25474_2mz6 1 . 1 . 397 . 2 1 9 ARG H H 24.135 9.177 -0.574 . . . 1.0 . . . . . . . . . . . . B . 9 ARG H . . . . . . . . . c25474_2mz6 1 . 1 . 398 . 2 1 9 ARG HA H 21.657 10.867 -0.649 . . . 1.0 . . . . . . . . . . . . B . 9 ARG HA . . . . . . . . . c25474_2mz6 1 . 1 . 399 . 2 1 9 ARG HB2 H 22.357 8.895 1.220 . . . 1.0 . . . . . . . . . . . . B . 9 ARG HB2 . . . . . . . . . c25474_2mz6 1 . 1 . 400 . 2 1 9 ARG HB3 H 22.756 10.418 2.015 . . . 1.0 . . . . . . . . . . . . B . 9 ARG HB3 . . . . . . . . . c25474_2mz6 1 . 1 . 401 . 2 1 9 ARG HD2 H 20.388 8.076 1.683 . . . 1.0 . . . . . . . . . . . . B . 9 ARG HD2 . . . . . . . . . c25474_2mz6 1 . 1 . 402 . 2 1 9 ARG HD3 H 20.355 8.944 3.231 . . . 1.0 . . . . . . . . . . . . B . 9 ARG HD3 . . . . . . . . . c25474_2mz6 1 . 1 . 403 . 2 1 9 ARG HE H 18.070 9.394 2.859 . . . 1.0 . . . . . . . . . . . . B . 9 ARG HE . . . . . . . . . c25474_2mz6 1 . 1 . 404 . 2 1 9 ARG HG2 H 20.574 11.066 2.159 . . . 1.0 . . . . . . . . . . . . B . 9 ARG HG2 . . . . . . . . . c25474_2mz6 1 . 1 . 405 . 2 1 9 ARG HG3 H 20.167 10.393 0.580 . . . 1.0 . . . . . . . . . . . . B . 9 ARG HG3 . . . . . . . . . c25474_2mz6 1 . 1 . 406 . 2 1 9 ARG HH11 H 19.672 8.564 -0.107 . . . 1.0 . . . . . . . . . . . . B . 9 ARG HH11 . . . . . . . . . c25474_2mz6 1 . 1 . 407 . 2 1 9 ARG HH12 H 18.212 8.581 -1.037 . . . 1.0 . . . . . . . . . . . . B . 9 ARG HH12 . . . . . . . . . c25474_2mz6 1 . 1 . 408 . 2 1 9 ARG HH21 H 16.179 9.414 1.640 . . . 1.0 . . . . . . . . . . . . B . 9 ARG HH21 . . . . . . . . . c25474_2mz6 1 . 1 . 409 . 2 1 9 ARG HH22 H 16.245 9.060 -0.054 . . . 1.0 . . . . . . . . . . . . B . 9 ARG HH22 . . . . . . . . . c25474_2mz6 1 . 1 . 410 . 2 1 9 ARG N N 23.241 9.466 -0.853 . . . 1.0 . . . . . . . . . . . . B . 9 ARG N . . . . . . . . . c25474_2mz6 1 . 1 . 411 . 2 1 9 ARG NE N 18.597 9.159 2.067 . . . 1.0 . . . . . . . . . . . . B . 9 ARG NE . . . . . . . . . c25474_2mz6 1 . 1 . 412 . 2 1 9 ARG NH1 N 18.682 8.693 -0.161 . . . 1.0 . . . . . . . . . . . . B . 9 ARG NH1 . . . . . . . . . c25474_2mz6 1 . 1 . 413 . 2 1 9 ARG NH2 N 16.707 9.174 0.825 . . . 1.0 . . . . . . . . . . . . B . 9 ARG NH2 . . . . . . . . . c25474_2mz6 1 . 1 . 414 . 2 1 9 ARG O O 24.694 11.616 0.101 . . . 1.0 . . . . . . . . . . . . B . 9 ARG O . . . . . . . . . c25474_2mz6 1 . 1 . 415 . 2 1 10 ARG C C 24.863 14.213 -0.726 . . . 1.0 . . . . . . . . . . . . B . 10 ARG C . . . . . . . . . c25474_2mz6 1 . 1 . 416 . 2 1 10 ARG CA C 23.798 14.154 0.382 . . . 1.0 . . . . . . . . . . . . B . 10 ARG CA . . . . . . . . . c25474_2mz6 1 . 1 . 417 . 2 1 10 ARG CB C 24.438 13.981 1.766 . . . 1.0 . . . . . . . . . . . . B . 10 ARG CB . . . . . . . . . c25474_2mz6 1 . 1 . 418 . 2 1 10 ARG CD C 22.614 15.125 3.043 . . . 1.0 . . . . . . . . . . . . B . 10 ARG CD . . . . . . . . . c25474_2mz6 1 . 1 . 419 . 2 1 10 ARG CG C 23.347 13.799 2.825 . . . 1.0 . . . . . . . . . . . . B . 10 ARG CG . . . . . . . . . c25474_2mz6 1 . 1 . 420 . 2 1 10 ARG CZ C 20.301 15.608 3.643 . . . 1.0 . . . . . . . . . . . . B . 10 ARG CZ . . . . . . . . . c25474_2mz6 1 . 1 . 421 . 2 1 10 ARG H H 21.965 13.036 0.167 . . . 1.0 . . . . . . . . . . . . B . 10 ARG H . . . . . . . . . c25474_2mz6 1 . 1 . 422 . 2 1 10 ARG HA H 23.192 15.047 0.365 . . . 1.0 . . . . . . . . . . . . B . 10 ARG HA . . . . . . . . . c25474_2mz6 1 . 1 . 423 . 2 1 10 ARG HB2 H 25.080 13.112 1.757 . . . 1.0 . . . . . . . . . . . . B . 10 ARG HB2 . . . . . . . . . c25474_2mz6 1 . 1 . 424 . 2 1 10 ARG HB3 H 25.023 14.858 2.002 . . . 1.0 . . . . . . . . . . . . B . 10 ARG HB3 . . . . . . . . . c25474_2mz6 1 . 1 . 425 . 2 1 10 ARG HD2 H 23.159 15.743 3.744 . . . 1.0 . . . . . . . . . . . . B . 10 ARG HD2 . . . . . . . . . c25474_2mz6 1 . 1 . 426 . 2 1 10 ARG HD3 H 22.483 15.642 2.106 . . . 1.0 . . . . . . . . . . . . B . 10 ARG HD3 . . . . . . . . . c25474_2mz6 1 . 1 . 427 . 2 1 10 ARG HE H 21.148 13.836 3.952 . . . 1.0 . . . . . . . . . . . . B . 10 ARG HE . . . . . . . . . c25474_2mz6 1 . 1 . 428 . 2 1 10 ARG HG2 H 22.644 13.049 2.493 . . . 1.0 . . . . . . . . . . . . B . 10 ARG HG2 . . . . . . . . . c25474_2mz6 1 . 1 . 429 . 2 1 10 ARG HG3 H 23.798 13.483 3.754 . . . 1.0 . . . . . . . . . . . . B . 10 ARG HG3 . . . . . . . . . c25474_2mz6 1 . 1 . 430 . 2 1 10 ARG HH11 H 21.343 17.108 2.810 . . . 1.0 . . . . . . . . . . . . B . 10 ARG HH11 . . . . . . . . . c25474_2mz6 1 . 1 . 431 . 2 1 10 ARG HH12 H 19.703 17.474 3.223 . . . 1.0 . . . . . . . . . . . . B . 10 ARG HH12 . . . . . . . . . c25474_2mz6 1 . 1 . 432 . 2 1 10 ARG HH21 H 19.018 14.323 4.486 . . . 1.0 . . . . . . . . . . . . B . 10 ARG HH21 . . . . . . . . . c25474_2mz6 1 . 1 . 433 . 2 1 10 ARG HH22 H 18.392 15.906 4.167 . . . 1.0 . . . . . . . . . . . . B . 10 ARG HH22 . . . . . . . . . c25474_2mz6 1 . 1 . 434 . 2 1 10 ARG N N 22.940 12.943 0.196 . . . 1.0 . . . . . . . . . . . . B . 10 ARG N . . . . . . . . . c25474_2mz6 1 . 1 . 435 . 2 1 10 ARG NE N 21.286 14.743 3.607 . . . 1.0 . . . . . . . . . . . . B . 10 ARG NE . . . . . . . . . c25474_2mz6 1 . 1 . 436 . 2 1 10 ARG NH1 N 20.463 16.825 3.189 . . . 1.0 . . . . . . . . . . . . B . 10 ARG NH1 . . . . . . . . . c25474_2mz6 1 . 1 . 437 . 2 1 10 ARG NH2 N 19.147 15.251 4.137 . . . 1.0 . . . . . . . . . . . . B . 10 ARG NH2 . . . . . . . . . c25474_2mz6 1 . 1 . 438 . 2 1 10 ARG O O 24.551 14.091 -1.895 . . . 1.0 . . . . . . . . . . . . B . 10 ARG O . . . . . . . . . c25474_2mz6 1 . 1 . 439 . 2 1 11 ARG C C 28.041 13.178 -1.341 . . . 1.0 . . . . . . . . . . . . B . 11 ARG C . . . . . . . . . c25474_2mz6 1 . 1 . 440 . 2 1 11 ARG CA C 27.175 14.437 -1.425 . . . 1.0 . . . . . . . . . . . . B . 11 ARG CA . . . . . . . . . c25474_2mz6 1 . 1 . 441 . 2 1 11 ARG CB C 28.000 15.682 -1.095 . . . 1.0 . . . . . . . . . . . . B . 11 ARG CB . . . . . . . . . c25474_2mz6 1 . 1 . 442 . 2 1 11 ARG CD C 27.810 18.104 -0.510 . . . 1.0 . . . . . . . . . . . . B . 11 ARG CD . . . . . . . . . c25474_2mz6 1 . 1 . 443 . 2 1 11 ARG CG C 27.110 16.923 -1.185 . . . 1.0 . . . . . . . . . . . . B . 11 ARG CG . . . . . . . . . c25474_2mz6 1 . 1 . 444 . 2 1 11 ARG CZ C 28.706 18.384 1.739 . . . 1.0 . . . . . . . . . . . . B . 11 ARG CZ . . . . . . . . . c25474_2mz6 1 . 1 . 445 . 2 1 11 ARG H H 26.354 14.474 0.566 . . . 1.0 . . . . . . . . . . . . B . 11 ARG H . . . . . . . . . c25474_2mz6 1 . 1 . 446 . 2 1 11 ARG HA H 26.736 14.531 -2.405 . . . 1.0 . . . . . . . . . . . . B . 11 ARG HA . . . . . . . . . c25474_2mz6 1 . 1 . 447 . 2 1 11 ARG HB2 H 28.399 15.595 -0.095 . . . 1.0 . . . . . . . . . . . . B . 11 ARG HB2 . . . . . . . . . c25474_2mz6 1 . 1 . 448 . 2 1 11 ARG HB3 H 28.813 15.772 -1.801 . . . 1.0 . . . . . . . . . . . . B . 11 ARG HB3 . . . . . . . . . c25474_2mz6 1 . 1 . 449 . 2 1 11 ARG HD2 H 28.792 18.252 -0.938 . . . 1.0 . . . . . . . . . . . . B . 11 ARG HD2 . . . . . . . . . c25474_2mz6 1 . 1 . 450 . 2 1 11 ARG HD3 H 27.216 19.000 -0.608 . . . 1.0 . . . . . . . . . . . . B . 11 ARG HD3 . . . . . . . . . c25474_2mz6 1 . 1 . 451 . 2 1 11 ARG HE H 27.398 16.963 1.270 . . . 1.0 . . . . . . . . . . . . B . 11 ARG HE . . . . . . . . . c25474_2mz6 1 . 1 . 452 . 2 1 11 ARG HG2 H 26.925 17.158 -2.223 . . . 1.0 . . . . . . . . . . . . B . 11 ARG HG2 . . . . . . . . . c25474_2mz6 1 . 1 . 453 . 2 1 11 ARG HG3 H 26.172 16.730 -0.686 . . . 1.0 . . . . . . . . . . . . B . 11 ARG HG3 . . . . . . . . . c25474_2mz6 1 . 1 . 454 . 2 1 11 ARG HH11 H 29.355 19.676 0.346 . . . 1.0 . . . . . . . . . . . . B . 11 ARG HH11 . . . . . . . . . c25474_2mz6 1 . 1 . 455 . 2 1 11 ARG HH12 H 30.007 19.897 1.934 . . . 1.0 . . . . . . . . . . . . B . 11 ARG HH12 . . . . . . . . . c25474_2mz6 1 . 1 . 456 . 2 1 11 ARG HH21 H 28.252 17.258 3.331 . . . 1.0 . . . . . . . . . . . . B . 11 ARG HH21 . . . . . . . . . c25474_2mz6 1 . 1 . 457 . 2 1 11 ARG HH22 H 29.386 18.535 3.616 . . . 1.0 . . . . . . . . . . . . B . 11 ARG HH22 . . . . . . . . . c25474_2mz6 1 . 1 . 458 . 2 1 11 ARG N N 26.113 14.386 -0.378 . . . 1.0 . . . . . . . . . . . . B . 11 ARG N . . . . . . . . . c25474_2mz6 1 . 1 . 459 . 2 1 11 ARG NE N 27.919 17.720 0.928 . . . 1.0 . . . . . . . . . . . . B . 11 ARG NE . . . . . . . . . c25474_2mz6 1 . 1 . 460 . 2 1 11 ARG NH1 N 29.411 19.398 1.305 . . . 1.0 . . . . . . . . . . . . B . 11 ARG NH1 . . . . . . . . . c25474_2mz6 1 . 1 . 461 . 2 1 11 ARG NH2 N 28.788 18.031 2.993 . . . 1.0 . . . . . . . . . . . . B . 11 ARG NH2 . . . . . . . . . c25474_2mz6 1 . 1 . 462 . 2 1 11 ARG O O 29.249 13.231 -1.457 . . . 1.0 . . . . . . . . . . . . B . 11 ARG O . . . . . . . . . c25474_2mz6 1 . 1 . 463 . 2 1 12 PHE C C 27.224 9.581 -1.120 . . . 1.0 . . . . . . . . . . . . B . 12 PHE C . . . . . . . . . c25474_2mz6 1 . 1 . 464 . 2 1 12 PHE CA C 28.190 10.771 -1.051 . . . 1.0 . . . . . . . . . . . . B . 12 PHE CA . . . . . . . . . c25474_2mz6 1 . 1 . 465 . 2 1 12 PHE CB C 28.919 10.844 0.302 . . . 1.0 . . . . . . . . . . . . B . 12 PHE CB . . . . . . . . . c25474_2mz6 1 . 1 . 466 . 2 1 12 PHE CD1 C 26.996 10.401 1.875 . . . 1.0 . . . . . . . . . . . . B . 12 PHE CD1 . . . . . . . . . c25474_2mz6 1 . 1 . 467 . 2 1 12 PHE CD2 C 28.800 8.785 1.757 . . . 1.0 . . . . . . . . . . . . B . 12 PHE CD2 . . . . . . . . . c25474_2mz6 1 . 1 . 468 . 2 1 12 PHE CE1 C 26.350 9.610 2.832 . . . 1.0 . . . . . . . . . . . . B . 12 PHE CE1 . . . . . . . . . c25474_2mz6 1 . 1 . 469 . 2 1 12 PHE CE2 C 28.154 7.994 2.715 . . . 1.0 . . . . . . . . . . . . B . 12 PHE CE2 . . . . . . . . . c25474_2mz6 1 . 1 . 470 . 2 1 12 PHE CG C 28.221 9.989 1.337 . . . 1.0 . . . . . . . . . . . . B . 12 PHE CG . . . . . . . . . c25474_2mz6 1 . 1 . 471 . 2 1 12 PHE CZ C 26.929 8.407 3.252 . . . 1.0 . . . . . . . . . . . . B . 12 PHE CZ . . . . . . . . . c25474_2mz6 1 . 1 . 472 . 2 1 12 PHE H H 26.446 12.033 -1.054 . . . 1.0 . . . . . . . . . . . . B . 12 PHE H . . . . . . . . . c25474_2mz6 1 . 1 . 473 . 2 1 12 PHE HA H 28.909 10.714 -1.853 . . . 1.0 . . . . . . . . . . . . B . 12 PHE HA . . . . . . . . . c25474_2mz6 1 . 1 . 474 . 2 1 12 PHE HB2 H 29.933 10.493 0.178 . . . 1.0 . . . . . . . . . . . . B . 12 PHE HB2 . . . . . . . . . c25474_2mz6 1 . 1 . 475 . 2 1 12 PHE HB3 H 28.938 11.869 0.641 . . . 1.0 . . . . . . . . . . . . B . 12 PHE HB3 . . . . . . . . . c25474_2mz6 1 . 1 . 476 . 2 1 12 PHE HD1 H 26.549 11.329 1.551 . . . 1.0 . . . . . . . . . . . . B . 12 PHE HD1 . . . . . . . . . c25474_2mz6 1 . 1 . 477 . 2 1 12 PHE HD2 H 29.745 8.467 1.342 . . . 1.0 . . . . . . . . . . . . B . 12 PHE HD2 . . . . . . . . . c25474_2mz6 1 . 1 . 478 . 2 1 12 PHE HE1 H 25.405 9.928 3.247 . . . 1.0 . . . . . . . . . . . . B . 12 PHE HE1 . . . . . . . . . c25474_2mz6 1 . 1 . 479 . 2 1 12 PHE HE2 H 28.601 7.066 3.039 . . . 1.0 . . . . . . . . . . . . B . 12 PHE HE2 . . . . . . . . . c25474_2mz6 1 . 1 . 480 . 2 1 12 PHE HZ H 26.431 7.797 3.991 . . . 1.0 . . . . . . . . . . . . B . 12 PHE HZ . . . . . . . . . c25474_2mz6 1 . 1 . 481 . 2 1 12 PHE N N 27.422 12.046 -1.142 . . . 1.0 . . . . . . . . . . . . B . 12 PHE N . . . . . . . . . c25474_2mz6 1 . 1 . 482 . 2 1 12 PHE O O 26.113 9.645 -0.631 . . . 1.0 . . . . . . . . . . . . B . 12 PHE O . . . . . . . . . c25474_2mz6 1 . 1 . 483 . 2 1 13 CYS C C 27.161 6.238 -0.819 . . . 1.0 . . . . . . . . . . . . B . 13 CYS C . . . . . . . . . c25474_2mz6 1 . 1 . 484 . 2 1 13 CYS CA C 26.736 7.313 -1.822 . . . 1.0 . . . . . . . . . . . . B . 13 CYS CA . . . . . . . . . c25474_2mz6 1 . 1 . 485 . 2 1 13 CYS CB C 26.903 6.806 -3.253 . . . 1.0 . . . . . . . . . . . . B . 13 CYS CB . . . . . . . . . c25474_2mz6 1 . 1 . 486 . 2 1 13 CYS H H 28.535 8.466 -2.113 . . . 1.0 . . . . . . . . . . . . B . 13 CYS H . . . . . . . . . c25474_2mz6 1 . 1 . 487 . 2 1 13 CYS HA H 25.710 7.603 -1.652 . . . 1.0 . . . . . . . . . . . . B . 13 CYS HA . . . . . . . . . c25474_2mz6 1 . 1 . 488 . 2 1 13 CYS HB2 H 26.913 7.644 -3.934 . . . 1.0 . . . . . . . . . . . . B . 13 CYS HB2 . . . . . . . . . c25474_2mz6 1 . 1 . 489 . 2 1 13 CYS HB3 H 27.832 6.261 -3.337 . . . 1.0 . . . . . . . . . . . . B . 13 CYS HB3 . . . . . . . . . c25474_2mz6 1 . 1 . 490 . 2 1 13 CYS N N 27.636 8.499 -1.724 . . . 1.0 . . . . . . . . . . . . B . 13 CYS N . . . . . . . . . c25474_2mz6 1 . 1 . 491 . 2 1 13 CYS O O 28.333 6.038 -0.566 . . . 1.0 . . . . . . . . . . . . B . 13 CYS O . . . . . . . . . c25474_2mz6 1 . 1 . 492 . 2 1 13 CYS SG S 25.522 5.711 -3.663 . . . 1.0 . . . . . . . . . . . . B . 13 CYS SG . . . . . . . . . c25474_2mz6 1 . 1 . 493 . 2 1 14 VAL C C 25.760 3.202 0.418 . . . 1.0 . . . . . . . . . . . . B . 14 VAL C . . . . . . . . . c25474_2mz6 1 . 1 . 494 . 2 1 14 VAL CA C 26.554 4.473 0.733 . . . 1.0 . . . . . . . . . . . . B . 14 VAL CA . . . . . . . . . c25474_2mz6 1 . 1 . 495 . 2 1 14 VAL CB C 26.156 5.043 2.098 . . . 1.0 . . . . . . . . . . . . B . 14 VAL CB . . . . . . . . . c25474_2mz6 1 . 1 . 496 . 2 1 14 VAL CG1 C 24.648 5.308 2.135 . . . 1.0 . . . . . . . . . . . . B . 14 VAL CG1 . . . . . . . . . c25474_2mz6 1 . 1 . 497 . 2 1 14 VAL CG2 C 26.521 4.039 3.193 . . . 1.0 . . . . . . . . . . . . B . 14 VAL CG2 . . . . . . . . . c25474_2mz6 1 . 1 . 498 . 2 1 14 VAL H H 25.277 5.719 -0.475 . . . 1.0 . . . . . . . . . . . . B . 14 VAL H . . . . . . . . . c25474_2mz6 1 . 1 . 499 . 2 1 14 VAL HA H 27.613 4.269 0.714 . . . 1.0 . . . . . . . . . . . . B . 14 VAL HA . . . . . . . . . c25474_2mz6 1 . 1 . 500 . 2 1 14 VAL HB H 26.686 5.969 2.267 . . . 1.0 . . . . . . . . . . . . B . 14 VAL HB . . . . . . . . . c25474_2mz6 1 . 1 . 501 . 2 1 14 VAL HG11 H 24.415 5.944 2.976 . . . 1.0 . . . . . . . . . . . . B . 14 VAL HG11 . . . . . . . . . c25474_2mz6 1 . 1 . 502 . 2 1 14 VAL HG12 H 24.120 4.371 2.235 . . . 1.0 . . . . . . . . . . . . B . 14 VAL HG12 . . . . . . . . . c25474_2mz6 1 . 1 . 503 . 2 1 14 VAL HG13 H 24.344 5.796 1.221 . . . 1.0 . . . . . . . . . . . . B . 14 VAL HG13 . . . . . . . . . c25474_2mz6 1 . 1 . 504 . 2 1 14 VAL HG21 H 25.942 3.136 3.062 . . . 1.0 . . . . . . . . . . . . B . 14 VAL HG21 . . . . . . . . . c25474_2mz6 1 . 1 . 505 . 2 1 14 VAL HG22 H 26.306 4.467 4.161 . . . 1.0 . . . . . . . . . . . . B . 14 VAL HG22 . . . . . . . . . c25474_2mz6 1 . 1 . 506 . 2 1 14 VAL HG23 H 27.573 3.804 3.130 . . . 1.0 . . . . . . . . . . . . B . 14 VAL HG23 . . . . . . . . . c25474_2mz6 1 . 1 . 507 . 2 1 14 VAL N N 26.214 5.542 -0.251 . . . 1.0 . . . . . . . . . . . . B . 14 VAL N . . . . . . . . . c25474_2mz6 1 . 1 . 508 . 2 1 14 VAL O O 24.546 3.215 0.369 . . . 1.0 . . . . . . . . . . . . B . 14 VAL O . . . . . . . . . c25474_2mz6 1 . 1 . 509 . 2 1 15 CYS C C 26.272 -0.309 0.732 . . . 1.0 . . . . . . . . . . . . B . 15 CYS C . . . . . . . . . c25474_2mz6 1 . 1 . 510 . 2 1 15 CYS CA C 25.719 0.837 -0.119 . . . 1.0 . . . . . . . . . . . . B . 15 CYS CA . . . . . . . . . c25474_2mz6 1 . 1 . 511 . 2 1 15 CYS CB C 25.990 0.586 -1.606 . . . 1.0 . . . . . . . . . . . . B . 15 CYS CB . . . . . . . . . c25474_2mz6 1 . 1 . 512 . 2 1 15 CYS H H 27.416 2.119 0.239 . . . 1.0 . . . . . . . . . . . . B . 15 CYS H . . . . . . . . . c25474_2mz6 1 . 1 . 513 . 2 1 15 CYS HA H 24.660 0.953 0.048 . . . 1.0 . . . . . . . . . . . . B . 15 CYS HA . . . . . . . . . c25474_2mz6 1 . 1 . 514 . 2 1 15 CYS HB2 H 27.047 0.421 -1.755 . . . 1.0 . . . . . . . . . . . . B . 15 CYS HB2 . . . . . . . . . c25474_2mz6 1 . 1 . 515 . 2 1 15 CYS HB3 H 25.442 -0.287 -1.928 . . . 1.0 . . . . . . . . . . . . B . 15 CYS HB3 . . . . . . . . . c25474_2mz6 1 . 1 . 516 . 2 1 15 CYS N N 26.437 2.107 0.199 . . . 1.0 . . . . . . . . . . . . B . 15 CYS N . . . . . . . . . c25474_2mz6 1 . 1 . 517 . 2 1 15 CYS O O 27.454 -0.373 1.010 . . . 1.0 . . . . . . . . . . . . B . 15 CYS O . . . . . . . . . c25474_2mz6 1 . 1 . 518 . 2 1 15 CYS SG S 25.461 2.023 -2.575 . . . 1.0 . . . . . . . . . . . . B . 15 CYS SG . . . . . . . . . c25474_2mz6 1 . 1 . 519 . 2 1 16 VAL C C 25.283 -3.667 1.490 . . . 1.0 . . . . . . . . . . . . B . 16 VAL C . . . . . . . . . c25474_2mz6 1 . 1 . 520 . 2 1 16 VAL CA C 25.900 -2.355 1.983 . . . 1.0 . . . . . . . . . . . . B . 16 VAL CA . . . . . . . . . c25474_2mz6 1 . 1 . 521 . 2 1 16 VAL CB C 25.423 -2.035 3.403 . . . 1.0 . . . . . . . . . . . . B . 16 VAL CB . . . . . . . . . c25474_2mz6 1 . 1 . 522 . 2 1 16 VAL CG1 C 26.075 -0.736 3.879 . . . 1.0 . . . . . . . . . . . . B . 16 VAL CG1 . . . . . . . . . c25474_2mz6 1 . 1 . 523 . 2 1 16 VAL CG2 C 23.900 -1.871 3.410 . . . 1.0 . . . . . . . . . . . . B . 16 VAL CG2 . . . . . . . . . c25474_2mz6 1 . 1 . 524 . 2 1 16 VAL H H 24.477 -1.139 0.913 . . . 1.0 . . . . . . . . . . . . B . 16 VAL H . . . . . . . . . c25474_2mz6 1 . 1 . 525 . 2 1 16 VAL HA H 26.976 -2.414 1.962 . . . 1.0 . . . . . . . . . . . . B . 16 VAL HA . . . . . . . . . c25474_2mz6 1 . 1 . 526 . 2 1 16 VAL HB H 25.704 -2.842 4.065 . . . 1.0 . . . . . . . . . . . . B . 16 VAL HB . . . . . . . . . c25474_2mz6 1 . 1 . 527 . 2 1 16 VAL HG11 H 25.650 0.098 3.341 . . . 1.0 . . . . . . . . . . . . B . 16 VAL HG11 . . . . . . . . . c25474_2mz6 1 . 1 . 528 . 2 1 16 VAL HG12 H 27.138 -0.779 3.697 . . . 1.0 . . . . . . . . . . . . B . 16 VAL HG12 . . . . . . . . . c25474_2mz6 1 . 1 . 529 . 2 1 16 VAL HG13 H 25.896 -0.610 4.937 . . . 1.0 . . . . . . . . . . . . B . 16 VAL HG13 . . . . . . . . . c25474_2mz6 1 . 1 . 530 . 2 1 16 VAL HG21 H 23.635 -0.952 2.910 . . . 1.0 . . . . . . . . . . . . B . 16 VAL HG21 . . . . . . . . . c25474_2mz6 1 . 1 . 531 . 2 1 16 VAL HG22 H 23.546 -1.842 4.430 . . . 1.0 . . . . . . . . . . . . B . 16 VAL HG22 . . . . . . . . . c25474_2mz6 1 . 1 . 532 . 2 1 16 VAL HG23 H 23.446 -2.705 2.896 . . . 1.0 . . . . . . . . . . . . B . 16 VAL HG23 . . . . . . . . . c25474_2mz6 1 . 1 . 533 . 2 1 16 VAL N N 25.425 -1.213 1.148 . . . 1.0 . . . . . . . . . . . . B . 16 VAL N . . . . . . . . . c25474_2mz6 1 . 1 . 534 . 2 1 16 VAL O O 24.175 -3.693 0.989 . . . 1.0 . . . . . . . . . . . . B . 16 VAL O . . . . . . . . . c25474_2mz6 1 . 1 . 535 . 2 1 17 GLY C C 25.612 -7.102 2.285 . . . 1.0 . . . . . . . . . . . . B . 17 GLY C . . . . . . . . . c25474_2mz6 1 . 1 . 536 . 2 1 17 GLY CA C 25.452 -6.066 1.171 . . . 1.0 . . . . . . . . . . . . B . 17 GLY CA . . . . . . . . . c25474_2mz6 1 . 1 . 537 . 2 1 17 GLY H H 26.883 -4.709 2.036 . . . 1.0 . . . . . . . . . . . . B . 17 GLY H . . . . . . . . . c25474_2mz6 1 . 1 . 538 . 2 1 17 GLY HA2 H 24.405 -5.957 0.925 . . . 1.0 . . . . . . . . . . . . B . 17 GLY HA2 . . . . . . . . . c25474_2mz6 1 . 1 . 539 . 2 1 17 GLY HA3 H 25.995 -6.395 0.298 . . . 1.0 . . . . . . . . . . . . B . 17 GLY HA3 . . . . . . . . . c25474_2mz6 1 . 1 . 540 . 2 1 17 GLY N N 25.993 -4.755 1.629 . . . 1.0 . . . . . . . . . . . . B . 17 GLY N . . . . . . . . . c25474_2mz6 1 . 1 . 541 . 2 1 17 GLY O O 26.521 -7.026 3.088 . . . 1.0 . . . . . . . . . . . . B . 17 GLY O . . . . . . . . . c25474_2mz6 1 . 1 . 542 . 2 1 18 ARG C C 24.428 -10.477 2.843 . . . 1.0 . . . . . . . . . . . . B . 18 ARG C . . . . . . . . . c25474_2mz6 1 . 1 . 543 . 2 1 18 ARG CA C 24.834 -9.110 3.402 . . . 1.0 . . . . . . . . . . . . B . 18 ARG CA . . . . . . . . . c25474_2mz6 1 . 1 . 544 . 2 1 18 ARG CB C 23.855 -8.662 4.488 . . . 1.0 . . . . . . . . . . . . B . 18 ARG CB . . . . . . . . . c25474_2mz6 1 . 1 . 545 . 2 1 18 ARG CD C 23.179 -8.969 6.877 . . . 1.0 . . . . . . . . . . . . B . 18 ARG CD . . . . . . . . . c25474_2mz6 1 . 1 . 546 . 2 1 18 ARG CG C 24.225 -9.325 5.817 . . . 1.0 . . . . . . . . . . . . B . 18 ARG CG . . . . . . . . . c25474_2mz6 1 . 1 . 547 . 2 1 18 ARG CZ C 24.592 -9.461 8.802 . . . 1.0 . . . . . . . . . . . . B . 18 ARG CZ . . . . . . . . . c25474_2mz6 1 . 1 . 548 . 2 1 18 ARG H H 24.010 -8.109 1.681 . . . 1.0 . . . . . . . . . . . . B . 18 ARG H . . . . . . . . . c25474_2mz6 1 . 1 . 549 . 2 1 18 ARG HA H 25.835 -9.148 3.801 . . . 1.0 . . . . . . . . . . . . B . 18 ARG HA . . . . . . . . . c25474_2mz6 1 . 1 . 550 . 2 1 18 ARG HB2 H 23.904 -7.588 4.595 . . . 1.0 . . . . . . . . . . . . B . 18 ARG HB2 . . . . . . . . . c25474_2mz6 1 . 1 . 551 . 2 1 18 ARG HB3 H 22.853 -8.952 4.211 . . . 1.0 . . . . . . . . . . . . B . 18 ARG HB3 . . . . . . . . . c25474_2mz6 1 . 1 . 552 . 2 1 18 ARG HD2 H 22.562 -8.149 6.535 . . . 1.0 . . . . . . . . . . . . B . 18 ARG HD2 . . . . . . . . . c25474_2mz6 1 . 1 . 553 . 2 1 18 ARG HD3 H 22.569 -9.829 7.108 . . . 1.0 . . . . . . . . . . . . B . 18 ARG HD3 . . . . . . . . . c25474_2mz6 1 . 1 . 554 . 2 1 18 ARG HE H 24.018 -7.617 8.326 . . . 1.0 . . . . . . . . . . . . B . 18 ARG HE . . . . . . . . . c25474_2mz6 1 . 1 . 555 . 2 1 18 ARG HG2 H 24.257 -10.397 5.687 . . . 1.0 . . . . . . . . . . . . B . 18 ARG HG2 . . . . . . . . . c25474_2mz6 1 . 1 . 556 . 2 1 18 ARG HG3 H 25.194 -8.972 6.137 . . . 1.0 . . . . . . . . . . . . B . 18 ARG HG3 . . . . . . . . . c25474_2mz6 1 . 1 . 557 . 2 1 18 ARG HH11 H 24.020 -11.030 7.689 . . . 1.0 . . . . . . . . . . . . B . 18 ARG HH11 . . . . . . . . . c25474_2mz6 1 . 1 . 558 . 2 1 18 ARG HH12 H 25.020 -11.403 9.051 . . . 1.0 . . . . . . . . . . . . B . 18 ARG HH12 . . . . . . . . . c25474_2mz6 1 . 1 . 559 . 2 1 18 ARG HH21 H 25.319 -8.114 10.092 . . . 1.0 . . . . . . . . . . . . B . 18 ARG HH21 . . . . . . . . . c25474_2mz6 1 . 1 . 560 . 2 1 18 ARG HH22 H 25.753 -9.761 10.405 . . . 1.0 . . . . . . . . . . . . B . 18 ARG HH22 . . . . . . . . . c25474_2mz6 1 . 1 . 561 . 2 1 18 ARG N N 24.735 -8.068 2.339 . . . 1.0 . . . . . . . . . . . . B . 18 ARG N . . . . . . . . . c25474_2mz6 1 . 1 . 562 . 2 1 18 ARG NE N 23.967 -8.564 8.077 . . . 1.0 . . . . . . . . . . . . B . 18 ARG NE . . . . . . . . . c25474_2mz6 1 . 1 . 563 . 2 1 18 ARG NH1 N 24.539 -10.730 8.489 . . . 1.0 . . . . . . . . . . . . B . 18 ARG NH1 . . . . . . . . . c25474_2mz6 1 . 1 . 564 . 2 1 18 ARG NH2 N 25.274 -9.082 9.848 . . . 1.0 . . . . . . . . . . . . B . 18 ARG NH2 . . . . . . . . . c25474_2mz6 1 . 1 . 565 . 2 1 18 ARG O O 23.238 -10.727 2.749 . . . 1.0 . . . . . . . . . . . . B . 18 ARG O . . . . . . . . . c25474_2mz6 1 . 1 . 566 . 2 1 18 ARG OXT O 25.315 -11.249 2.518 . . . 1.0 . . . . . . . . . . . . B . 18 ARG OXT . . . . . . . . . c25474_2mz6 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 c25474_2mz6 _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 2mz6.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c25474_2mz6 1 1 2mz6.mr . . XPLOR/CNS 2 distance NOE simple 310 c25474_2mz6 1 1 2mz6.mr . . XPLOR/CNS 3 distance 'hydrogen bond' simple 26 c25474_2mz6 1 1 2mz6.mr . . XPLOR/CNS 4 distance NOE simple 16 c25474_2mz6 1 1 2mz6.mr . . XPLOR/CNS 5 distance 'hydrogen bond' simple 10 c25474_2mz6 1 1 2mz6.mr . . 'MR format' 6 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c25474_2mz6 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID c25474_2mz6 _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 2 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 . . . . c25474_2mz6 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 OR . 1 1 3 3 GLY H H . . . 1 1 2 2 GLY HA2 H . . . . . 2.5 1.8 2.7 . . . . . A . 3 GLY H . . A . 2 GLY HA2 . A* . 3 . HN . . . A* . 2 . HA# . . c25474_2mz6 1 1 2 OR . 1 1 2 2 GLY HA3 H . . . 1 1 3 3 GLY H H . . . . . 2.5 1.8 2.7 . . . . . A . 2 GLY HA3 . . A . 3 GLY H . A* . 2 . HA# . . . A* . 3 . HN . . c25474_2mz6 1 2 1 OR . 1 1 4 4 GLY H H . . . 1 1 3 3 GLY HA2 H . . . . . 2.5 1.8 2.7 . . . . . A . 4 GLY H . . A . 3 GLY HA2 . A* . 4 . HN . . . A* . 3 . HA# . . c25474_2mz6 1 2 2 OR . 1 1 3 3 GLY HA3 H . . . 1 1 4 4 GLY H H . . . . . 2.5 1.8 2.7 . . . . . A . 3 GLY HA3 . . A . 4 GLY H . A* . 3 . HA# . . . A* . 4 . HN . . c25474_2mz6 1 3 1 OR . 1 1 5 5 LEU H H . . . 1 1 4 4 GLY HA2 H . . . . . 2.5 1.8 2.7 . . . . . A . 5 LEU H . . A . 4 GLY HA2 . A* . 5 . HN . . . A* . 4 . HA# . . c25474_2mz6 1 3 2 OR . 1 1 4 4 GLY HA3 H . . . 1 1 5 5 LEU H H . . . . . 2.5 1.8 2.7 . . . . . A . 4 GLY HA3 . . A . 5 LEU H . A* . 4 . HA# . . . A* . 5 . HN . . c25474_2mz6 1 4 1 . . 1 1 6 6 CYS HA H . . . 1 1 7 7 TYR H H . . . . . 2.5 1.8 2.7 . . . . . A . 6 CYS HA . . A . 7 TYR H . A* . 6 . HA . . . A* . 7 . HN . . c25474_2mz6 1 5 1 . . 1 1 7 7 TYR HA H . . . 1 1 8 8 CYS H H . . . . . 2.5 1.8 2.7 . . . . . A . 7 TYR HA . . A . 8 CYS H . A* . 7 . HA . . . A* . 8 . HN . . c25474_2mz6 1 6 1 . . 1 1 8 8 CYS HA H . . . 1 1 9 9 ARG H H . . . . . 2.5 1.8 2.7 . . . . . A . 8 CYS HA . . A . 9 ARG H . A* . 8 . HA . . . A* . 9 . HN . . c25474_2mz6 1 7 1 . . 1 1 9 9 ARG HA H . . . 1 1 10 10 ARG H H . . . . . 2.5 1.8 2.7 . . . . . A . 9 ARG HA . . A . 10 ARG H . A* . 9 . HA . . . A* . 10 . HN . . c25474_2mz6 1 8 1 . . 1 1 10 10 ARG HA H . . . 1 1 11 11 ARG H H . . . . . 3.0 2.3 3.5 . . . . . A . 10 ARG HA . . A . 11 ARG H . A* . 10 . HA . . . A* . 11 . HN . . c25474_2mz6 1 9 1 . . 1 1 11 11 ARG HA H . . . 1 1 12 12 PHE H H . . . . . 2.5 1.8 2.7 . . . . . A . 11 ARG HA . . A . 12 PHE H . A* . 11 . HA . . . A* . 12 . HN . . c25474_2mz6 1 10 1 . . 1 1 12 12 PHE HA H . . . 1 1 13 13 CYS H H . . . . . 2.5 1.8 2.7 . . . . . A . 12 PHE HA . . A . 13 CYS H . A* . 12 . HA . . . A* . 13 . HN . . c25474_2mz6 1 11 1 . . 1 1 13 13 CYS HA H . . . 1 1 14 14 VAL H H . . . . . 2.5 1.8 2.7 . . . . . A . 13 CYS HA . . A . 14 VAL H . A* . 13 . HA . . . A* . 14 . HN . . c25474_2mz6 1 12 1 . . 1 1 14 14 VAL HA H . . . 1 1 15 15 CYS H H . . . . . 2.5 1.8 2.7 . . . . . A . 14 VAL HA . . A . 15 CYS H . A* . 14 . HA . . . A* . 15 . HN . . c25474_2mz6 1 13 1 . . 1 1 15 15 CYS HA H . . . 1 1 16 16 VAL H H . . . . . 2.5 1.8 2.7 . . . . . A . 15 CYS HA . . A . 16 VAL H . A* . 15 . HA . . . A* . 16 . HN . . c25474_2mz6 1 14 1 . . 1 1 16 16 VAL HA H . . . 1 1 17 17 GLY H H . . . . . 2.5 1.8 2.7 . . . . . A . 16 VAL HA . . A . 17 GLY H . A* . 16 . HA . . . A* . 17 . HN . . c25474_2mz6 1 15 1 OR . 1 1 18 18 ARG H H . . . 1 1 17 17 GLY HA2 H . . . . . 2.5 1.8 2.7 . . . . . A . 18 ARG H . . A . 17 GLY HA2 . A* . 18 . HN . . . A* . 17 . HA# . . c25474_2mz6 1 15 2 OR . 1 1 17 17 GLY HA3 H . . . 1 1 18 18 ARG H H . . . . . 2.5 1.8 2.7 . . . . . A . 17 GLY HA3 . . A . 18 ARG H . A* . 17 . HA# . . . A* . 18 . HN . . c25474_2mz6 1 16 1 . . 1 1 3 3 GLY H H . . . 1 1 2 2 GLY H H . . . . . 4.0 2.3 5.0 . . . . . A . 3 GLY H . . A . 2 GLY H . A* . 3 . HN . . . A* . 2 . HN . . c25474_2mz6 1 17 1 . . 1 1 3 3 GLY H H . . . 1 1 4 4 GLY H H . . . . . 4.0 2.3 5.0 . . . . . A . 3 GLY H . . A . 4 GLY H . A* . 3 . HN . . . A* . 4 . HN . . c25474_2mz6 1 18 1 . . 1 1 4 4 GLY H H . . . 1 1 5 5 LEU H H . . . . . 4.0 2.3 5.0 . . . . . A . 4 GLY H . . A . 5 LEU H . A* . 4 . HN . . . A* . 5 . HN . . c25474_2mz6 1 19 1 . . 1 1 5 5 LEU H H . . . 1 1 6 6 CYS H H . . . . . 4.0 2.3 5.0 . . . . . A . 5 LEU H . . A . 6 CYS H . A* . 5 . HN . . . A* . 6 . HN . . c25474_2mz6 1 20 1 . . 1 1 7 7 TYR H H . . . 1 1 6 6 CYS H H . . . . . 4.0 2.3 5.0 . . . . . A . 7 TYR H . . A . 6 CYS H . A* . 7 . HN . . . A* . 6 . HN . . c25474_2mz6 1 21 1 . . 1 1 7 7 TYR H H . . . 1 1 8 8 CYS H H . . . . . 4.0 2.3 5.0 . . . . . A . 7 TYR H . . A . 8 CYS H . A* . 7 . HN . . . A* . 8 . HN . . c25474_2mz6 1 22 1 . . 1 1 8 8 CYS H H . . . 1 1 9 9 ARG H H . . . . . 4.0 3.0 7.0 . . . . . A . 8 CYS H . . A . 9 ARG H . A* . 8 . HN . . . A* . 9 . HN . . c25474_2mz6 1 23 1 . . 1 1 9 9 ARG H H . . . 1 1 10 10 ARG H H . . . . . 4.0 2.5 7.0 . . . . . A . 9 ARG H . . A . 10 ARG H . A* . 9 . HN . . . A* . 10 . HN . . c25474_2mz6 1 24 1 . . 1 1 11 11 ARG H H . . . 1 1 12 12 PHE H H . . . . . 3.0 1.8 3.5 . . . . . A . 11 ARG H . . A . 12 PHE H . A* . 11 . HN . . . A* . 12 . HN . . c25474_2mz6 1 25 1 . . 1 1 12 12 PHE H H . . . 1 1 13 13 CYS H H . . . . . 4.0 2.3 5.0 . . . . . A . 12 PHE H . . A . 13 CYS H . A* . 12 . HN . . . A* . 13 . HN . . c25474_2mz6 1 26 1 . . 1 1 14 14 VAL H H . . . 1 1 15 15 CYS H H . . . . . 4.0 2.3 5.0 . . . . . A . 14 VAL H . . A . 15 CYS H . A* . 14 . HN . . . A* . 15 . HN . . c25474_2mz6 1 27 1 . . 1 1 15 15 CYS H H . . . 1 1 16 16 VAL H H . . . . . 4.0 2.3 5.0 . . . . . A . 15 CYS H . . A . 16 VAL H . A* . 15 . HN . . . A* . 16 . HN . . c25474_2mz6 1 28 1 . . 1 1 16 16 VAL H H . . . 1 1 17 17 GLY H H . . . . . 4.0 2.3 5.0 . . . . . A . 16 VAL H . . A . 17 GLY H . A* . 16 . HN . . . A* . 17 . HN . . c25474_2mz6 1 29 1 . . 1 1 17 17 GLY H H . . . 1 1 18 18 ARG H H . . . . . 4.0 2.3 5.0 . . . . . A . 17 GLY H . . A . 18 ARG H . A* . 17 . HN . . . A* . 18 . HN . . c25474_2mz6 1 30 1 OR . 1 1 2 2 GLY H H . . . 1 1 1 1 ARG HB2 H . . . . . 2.5 1.8 2.7 . . . . . A . 2 GLY H . . A . 1 ARG HB2 . A* . 2 . HN . . . A* . 1 . HB# . . c25474_2mz6 1 30 2 OR . 1 1 2 2 GLY H H . . . 1 1 1 1 ARG HB3 H . . . . . 2.5 1.8 2.7 . . . . . A . 2 GLY H . . A . 1 ARG HB3 . A* . 2 . HN . . . A* . 1 . HB# . . c25474_2mz6 1 31 1 OR . 1 1 6 6 CYS H H . . . 1 1 5 5 LEU HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 6 CYS H . . A . 5 LEU HB2 . A* . 6 . HN . . . A* . 5 . HB# . . c25474_2mz6 1 31 2 OR . 1 1 6 6 CYS H H . . . 1 1 5 5 LEU HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 6 CYS H . . A . 5 LEU HB3 . A* . 6 . HN . . . A* . 5 . HB# . . c25474_2mz6 1 32 1 OR . 1 1 7 7 TYR H H . . . 1 1 6 6 CYS HB3 H . . . . . 4.0 2.3 5.0 . . . . . A . 7 TYR H . . A . 6 CYS HB3 . A* . 7 . HN . . . A* . 6 . HB# . . c25474_2mz6 1 32 2 OR . 1 1 7 7 TYR H H . . . 1 1 6 6 CYS HB2 H . . . . . 4.0 2.3 5.0 . . . . . A . 7 TYR H . . A . 6 CYS HB2 . A* . 7 . HN . . . A* . 6 . HB# . . c25474_2mz6 1 33 1 . . 1 1 8 8 CYS H H . . . 1 1 7 7 TYR HB2 H . . . . . 4.0 2.3 5.0 . . . . . A . 8 CYS H . . A . 7 TYR HB2 . A* . 8 . HN . . . A* . 7 . HB2 . . c25474_2mz6 1 34 1 . . 1 1 9 9 ARG H H . . . 1 1 8 8 CYS HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 9 ARG H . . A . 8 CYS HB3 . A* . 9 . HN . . . A* . 8 . HB1 . . c25474_2mz6 1 35 1 . . 1 1 9 9 ARG H H . . . 1 1 8 8 CYS HB2 H . . . . . 4.0 2.3 5.0 . . . . . A . 9 ARG H . . A . 8 CYS HB2 . A* . 9 . HN . . . A* . 8 . HB2 . . c25474_2mz6 1 36 1 . . 1 1 10 10 ARG H H . . . 1 1 9 9 ARG HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 10 ARG H . . A . 9 ARG HB3 . A* . 10 . HN . . . A* . 9 . HB1 . . c25474_2mz6 1 37 1 OR . 1 1 12 12 PHE H H . . . 1 1 11 11 ARG HB2 H . . . . . 4.0 2.3 5.0 . . . . . A . 12 PHE H . . A . 11 ARG HB2 . A* . 12 . HN . . . A* . 11 . HB# . . c25474_2mz6 1 37 2 OR . 1 1 12 12 PHE H H . . . 1 1 11 11 ARG HB3 H . . . . . 4.0 2.3 5.0 . . . . . A . 12 PHE H . . A . 11 ARG HB3 . A* . 12 . HN . . . A* . 11 . HB# . . c25474_2mz6 1 38 1 . . 1 1 13 13 CYS H H . . . 1 1 12 12 PHE HB3 H . . . . . 4.0 2.3 5.0 . . . . . A . 13 CYS H . . A . 12 PHE HB3 . A* . 13 . HN . . . A* . 12 . HB1 . . c25474_2mz6 1 39 1 . . 1 1 13 13 CYS H H . . . 1 1 12 12 PHE HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 13 CYS H . . A . 12 PHE HB2 . A* . 13 . HN . . . A* . 12 . HB2 . . c25474_2mz6 1 40 1 . . 1 1 14 14 VAL H H . . . 1 1 13 13 CYS HB2 H . . . . . 4.0 2.3 5.0 . . . . . A . 14 VAL H . . A . 13 CYS HB2 . A* . 14 . HN . . . A* . 13 . HB2 . . c25474_2mz6 1 41 1 OR . 1 1 16 16 VAL H H . . . 1 1 15 15 CYS HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 16 VAL H . . A . 15 CYS HB3 . A* . 16 . HN . . . A* . 15 . HB# . . c25474_2mz6 1 41 2 OR . 1 1 16 16 VAL H H . . . 1 1 15 15 CYS HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 16 VAL H . . A . 15 CYS HB2 . A* . 16 . HN . . . A* . 15 . HB# . . c25474_2mz6 1 42 1 . . 1 1 17 17 GLY H H . . . 1 1 16 16 VAL HB H . . . . . 3.0 1.8 3.5 . . . . . A . 17 GLY H . . A . 16 VAL HB . A* . 17 . HN . . . A* . 16 . HB# . . c25474_2mz6 1 43 1 . . 1 1 9 9 ARG H H . . . 1 1 12 12 PHE H H . . . . . 3.0 1.8 4.0 . . . . . A . 9 ARG H . . A . 12 PHE H . A* . 9 . HN . . . A* . 12 . HN . . c25474_2mz6 1 44 1 OR . 1 1 5 5 LEU H H . . . 1 1 3 3 GLY HA2 H . . . . . 4.0 3.0 7.0 . . . . . A . 5 LEU H . . A . 3 GLY HA2 . A* . 5 . HN . . . A* . 3 . HA# . . c25474_2mz6 1 44 2 OR . 1 1 3 3 GLY HA3 H . . . 1 1 5 5 LEU H H . . . . . 4.0 3.0 7.0 . . . . . A . 3 GLY HA3 . . A . 5 LEU H . A* . 3 . HA# . . . A* . 5 . HN . . c25474_2mz6 1 45 1 . . 1 1 18 18 ARG H H . . . 1 1 16 16 VAL HB H . . . . . 4.0 3.0 7.0 . . . . . A . 18 ARG H . . A . 16 VAL HB . A* . 18 . HN . . . A* . 16 . HB . . c25474_2mz6 1 46 1 . . 1 1 6 6 CYS HA H . . . 1 1 7 7 TYR QD H . . . . . 4.0 3.0 7.0 . . . . . A . 6 CYS HA . . A . 7 TYR QD . A* . 6 . HA . . . A* . 7 . HD# . . c25474_2mz6 1 47 1 . . 1 1 6 6 CYS H H . . . 1 1 7 7 TYR QD H . . . . . 4.0 2.3 5.0 . . . . . A . 6 CYS H . . A . 7 TYR QD . A* . 6 . HN . . . A* . 7 . HD# . . c25474_2mz6 1 48 1 . . 1 1 8 8 CYS HA H . . . 1 1 7 7 TYR QD H . . . . . 4.0 2.3 5.0 . . . . . A . 8 CYS HA . . A . 7 TYR QD . A* . 8 . HA . . . A* . 7 . HD# . . c25474_2mz6 1 49 1 . . 1 1 8 8 CYS HB2 H . . . 1 1 7 7 TYR QD H . . . . . 4.0 2.3 5.0 . . . . . A . 8 CYS HB2 . . A . 7 TYR QD . A* . 8 . HB2 . . . A* . 7 . HD# . . c25474_2mz6 1 50 1 OR . 1 1 7 7 TYR QD H . . . 1 1 6 6 CYS HB3 H . . . . . 4.0 3.0 7.0 . . . . . A . 7 TYR QD . . A . 6 CYS HB3 . A* . 7 . HD# . . . A* . 6 . HB# . . c25474_2mz6 1 50 2 OR . 1 1 6 6 CYS HB2 H . . . 1 1 7 7 TYR QD H . . . . . 4.0 3.0 7.0 . . . . . A . 6 CYS HB2 . . A . 7 TYR QD . A* . 6 . HB# . . . A* . 7 . HD# . . c25474_2mz6 1 51 1 . . 1 1 8 8 CYS HA H . . . 1 1 7 7 TYR QE H . . . . . 4.0 3.0 7.0 . . . . . A . 8 CYS HA . . A . 7 TYR QE . A* . 8 . HA . . . A* . 7 . HE# . . c25474_2mz6 1 52 1 . . 1 1 8 8 CYS H H . . . 1 1 7 7 TYR QE H . . . . . 4.0 2.3 5.0 . . . . . A . 8 CYS H . . A . 7 TYR QE . A* . 8 . HN . . . A* . 7 . HE# . . c25474_2mz6 1 53 1 OR . 1 1 12 12 PHE QD H . . . 1 1 14 14 VAL MG2 H . . . . . 4.0 3.0 6.0 . . . . . A . 12 PHE QD . . A . 14 VAL MG2 . A* . 12 . HD# . . . A* . 14 . HG# . . c25474_2mz6 1 53 2 OR . 1 1 12 12 PHE QD H . . . 1 1 14 14 VAL MG1 H . . . . . 4.0 3.0 6.0 . . . . . A . 12 PHE QD . . A . 14 VAL MG1 . A* . 12 . HD# . . . A* . 14 . HG# . . c25474_2mz6 1 54 1 OR . 1 1 12 12 PHE QD H . . . 1 1 11 11 ARG HB2 H . . . . . 4.0 2.3 5.0 . . . . . A . 12 PHE QD . . A . 11 ARG HB2 . A* . 12 . HD# . . . A* . 11 . HB# . . c25474_2mz6 1 54 2 OR . 1 1 11 11 ARG HB3 H . . . 1 1 12 12 PHE QD H . . . . . 4.0 2.3 5.0 . . . . . A . 11 ARG HB3 . . A . 12 PHE QD . A* . 11 . HB# . . . A* . 12 . HD# . . c25474_2mz6 1 55 1 . . 1 1 12 12 PHE QD H . . . 1 1 10 10 ARG HG3 H . . . . . 4.0 3.0 7.0 . . . . . A . 12 PHE QD . . A . 10 ARG HG3 . A* . 12 . HD# . . . A* . 10 . HG1 . . c25474_2mz6 1 56 1 . . 1 1 13 13 CYS H H . . . 1 1 12 12 PHE QE H . . . . . 4.0 3.0 6.0 . . . . . A . 13 CYS H . . A . 12 PHE QE . A* . 13 . HN . . . A* . 12 . HE# . . c25474_2mz6 1 57 1 OR . 1 1 12 12 PHE QE H . . . 1 1 14 14 VAL MG2 H . . . . . 4.0 2.3 5.0 . . . . . A . 12 PHE QE . . A . 14 VAL MG2 . A* . 12 . HE# . . . A* . 14 . HG# . . c25474_2mz6 1 57 2 OR . 1 1 14 14 VAL MG1 H . . . 1 1 12 12 PHE QE H . . . . . 4.0 2.3 5.0 . . . . . A . 14 VAL MG1 . . A . 12 PHE QE . A* . 14 . HG# . . . A* . 12 . HE# . . c25474_2mz6 1 58 1 . . 1 1 11 11 ARG H H . . . 1 1 12 12 PHE QE H . . . . . 4.0 3.0 7.0 . . . . . A . 11 ARG H . . A . 12 PHE QE . A* . 11 . HN . . . A* . 12 . HE# . . c25474_2mz6 1 59 1 OR . 1 1 2 2 GLY H H . . . 1 1 1 1 ARG HD2 H . . . . . 3.0 1.8 3.5 . . . . . A . 2 GLY H . . A . 1 ARG HD2 . A* . 2 . HN . . . A* . 1 . HD# . . c25474_2mz6 1 59 2 OR . 1 1 2 2 GLY H H . . . 1 1 1 1 ARG HD3 H . . . . . 3.0 1.8 3.5 . . . . . A . 2 GLY H . . A . 1 ARG HD3 . A* . 2 . HN . . . A* . 1 . HD# . . c25474_2mz6 1 60 1 . . 1 1 2 2 GLY H H . . . 1 1 1 1 ARG HG3 H . . . . . 4.0 2.3 5.0 . . . . . A . 2 GLY H . . A . 1 ARG HG3 . A* . 2 . HN . . . A* . 1 . HG1 . . c25474_2mz6 1 61 1 OR . 1 1 2 2 GLY H H . . . 1 1 3 3 GLY HA2 H . . . . . 4.0 3.0 6.0 . . . . . A . 2 GLY H . . A . 3 GLY HA2 . A* . 2 . HN . . . A* . 3 . HA# . . c25474_2mz6 1 61 2 OR . 1 1 3 3 GLY HA3 H . . . 1 1 2 2 GLY H H . . . . . 4.0 3.0 6.0 . . . . . A . 3 GLY HA3 . . A . 2 GLY H . A* . 3 . HA# . . . A* . 2 . HN . . c25474_2mz6 1 62 1 OR . 1 1 3 3 GLY H H . . . 1 1 4 4 GLY HA2 H . . . . . 4.0 3.0 6.0 . . . . . A . 3 GLY H . . A . 4 GLY HA2 . A* . 3 . HN . . . A* . 4 . HA# . . c25474_2mz6 1 62 2 OR . 1 1 3 3 GLY H H . . . 1 1 4 4 GLY HA3 H . . . . . 4.0 3.0 6.0 . . . . . A . 3 GLY H . . A . 4 GLY HA3 . A* . 3 . HN . . . A* . 4 . HA# . . c25474_2mz6 1 63 1 OR . 1 1 5 5 LEU HA H . . . 1 1 4 4 GLY HA2 H . . . . . 4.0 2.3 5.0 . . . . . A . 5 LEU HA . . A . 4 GLY HA2 . A* . 5 . HA . . . A* . 4 . HA# . . c25474_2mz6 1 63 2 OR . 1 1 4 4 GLY HA3 H . . . 1 1 5 5 LEU HA H . . . . . 4.0 2.3 5.0 . . . . . A . 4 GLY HA3 . . A . 5 LEU HA . A* . 4 . HA# . . . A* . 5 . HA . . c25474_2mz6 1 64 1 OR . 1 1 4 4 GLY HA2 H . . . 1 1 5 5 LEU HB2 H . . . . . 4.0 2.3 5.0 . . . . . A . 4 GLY HA2 . . A . 5 LEU HB2 . A* . 4 . HA# . . . A* . 5 . HB# . . c25474_2mz6 1 64 2 OR . 1 1 4 4 GLY HA3 H . . . 1 1 5 5 LEU HB2 H . . . . . 4.0 2.3 5.0 . . . . . A . 4 GLY HA3 . . A . 5 LEU HB2 . A* . 4 . HA# . . . A* . 5 . HB# . . c25474_2mz6 1 64 3 OR . 1 1 5 5 LEU HB3 H . . . 1 1 4 4 GLY HA2 H . . . . . 4.0 2.3 5.0 . . . . . A . 5 LEU HB3 . . A . 4 GLY HA2 . A* . 5 . HB# . . . A* . 4 . HA# . . c25474_2mz6 1 64 4 OR . 1 1 4 4 GLY HA3 H . . . 1 1 5 5 LEU HB3 H . . . . . 4.0 2.3 5.0 . . . . . A . 4 GLY HA3 . . A . 5 LEU HB3 . A* . 4 . HA# . . . A* . 5 . HB# . . c25474_2mz6 1 65 1 OR . 1 1 5 5 LEU MD1 H . . . 1 1 4 4 GLY HA2 H . . . . . 3.0 1.8 4.0 . . . . . A . 5 LEU MD1 . . A . 4 GLY HA2 . A* . 5 . HD1# . . . A* . 4 . HA# . . c25474_2mz6 1 65 2 OR . 1 1 4 4 GLY HA3 H . . . 1 1 5 5 LEU MD1 H . . . . . 3.0 1.8 4.0 . . . . . A . 4 GLY HA3 . . A . 5 LEU MD1 . A* . 4 . HA# . . . A* . 5 . HD1# . . c25474_2mz6 1 66 1 . . 1 1 5 5 LEU H H . . . 1 1 6 6 CYS HB2 H . . . . . 4.0 2.3 5.0 . . . . . A . 5 LEU H . . A . 6 CYS HB2 . A* . 5 . HN . . . A* . 6 . HB2 . . c25474_2mz6 1 67 1 . . 1 1 6 6 CYS H H . . . 1 1 5 5 LEU MD1 H . . . . . 4.0 2.3 5.0 . . . . . A . 6 CYS H . . A . 5 LEU MD1 . A* . 6 . HN . . . A* . 5 . HD1# . . c25474_2mz6 1 68 1 . . 1 1 6 6 CYS H H . . . 1 1 5 5 LEU MD2 H . . . . . 4.0 2.3 5.0 . . . . . A . 6 CYS H . . A . 5 LEU MD2 . A* . 6 . HN . . . A* . 5 . HD2# . . c25474_2mz6 1 69 1 . . 1 1 6 6 CYS H H . . . 1 1 5 5 LEU HG H . . . . . 4.0 2.3 5.0 . . . . . A . 6 CYS H . . A . 5 LEU HG . A* . 6 . HN . . . A* . 5 . HG . . c25474_2mz6 1 70 1 . . 1 1 7 7 TYR HA H . . . 1 1 6 6 CYS H H . . . . . 4.0 2.3 5.0 . . . . . A . 7 TYR HA . . A . 6 CYS H . A* . 7 . HA . . . A* . 6 . HN . . c25474_2mz6 1 71 1 OR . 1 1 8 8 CYS HA H . . . 1 1 9 9 ARG QH1 H . . . . . 4.0 3.0 6.0 . . . . . A . 8 CYS HA . . A . 9 ARG QH1 . A* . 8 . HA . . . A* . 9 . HH# . . c25474_2mz6 1 71 2 OR . 1 1 8 8 CYS HA H . . . 1 1 9 9 ARG QH2 H . . . . . 4.0 3.0 6.0 . . . . . A . 8 CYS HA . . A . 9 ARG QH2 . A* . 8 . HA . . . A* . 9 . HH# . . c25474_2mz6 1 72 1 . . 1 1 9 9 ARG HA H . . . 1 1 8 8 CYS HB2 H . . . . . 4.0 2.3 5.0 . . . . . A . 9 ARG HA . . A . 8 CYS HB2 . A* . 9 . HA . . . A* . 8 . HB2 . . c25474_2mz6 1 73 1 OR . 1 1 8 8 CYS HB2 H . . . 1 1 9 9 ARG QH1 H . . . . . 4.0 3.0 6.0 . . . . . A . 8 CYS HB2 . . A . 9 ARG QH1 . A* . 8 . HB2 . . . A* . 9 . HH# . . c25474_2mz6 1 73 2 OR . 1 1 8 8 CYS HB2 H . . . 1 1 9 9 ARG QH2 H . . . . . 4.0 3.0 6.0 . . . . . A . 8 CYS HB2 . . A . 9 ARG QH2 . A* . 8 . HB2 . . . A* . 9 . HH# . . c25474_2mz6 1 74 1 . . 1 1 9 9 ARG HA H . . . 1 1 11 11 ARG HA H . . . . . 4.0 3.0 7.0 . . . . . A . 9 ARG HA . . A . 11 ARG HA . A* . 9 . HA . . . A* . 11 . HA . . c25474_2mz6 1 75 1 OR . 1 1 13 13 CYS HA H . . . 1 1 9 9 ARG HB3 H . . . . . 4.0 2.3 5.0 . . . . . A . 13 CYS HA . . A . 9 ARG HB3 . A* . 13 . HA . . . A* . 9 . HB# . . c25474_2mz6 1 75 2 OR . 1 1 13 13 CYS HA H . . . 1 1 9 9 ARG HB2 H . . . . . 4.0 2.3 5.0 . . . . . A . 13 CYS HA . . A . 9 ARG HB2 . A* . 13 . HA . . . A* . 9 . HB# . . c25474_2mz6 1 76 1 . . 1 1 10 10 ARG HA H . . . 1 1 11 11 ARG HG2 H . . . . . 4.0 3.0 6.0 . . . . . A . 10 ARG HA . . A . 11 ARG HG2 . A* . 10 . HA . . . A* . 11 . HG2 . . c25474_2mz6 1 77 1 . . 1 1 11 11 ARG H H . . . 1 1 10 10 ARG HG3 H . . . . . 4.0 2.3 5.0 . . . . . A . 11 ARG H . . A . 10 ARG HG3 . A* . 11 . HN . . . A* . 10 . HG1 . . c25474_2mz6 1 78 1 . . 1 1 10 10 ARG HG3 H . . . 1 1 12 12 PHE QE H . . . . . 4.0 2.3 5.0 . . . . . A . 10 ARG HG3 . . A . 12 PHE QE . A* . 10 . HG1 . . . A* . 12 . HE# . . c25474_2mz6 1 79 1 OR . 1 1 11 11 ARG H H . . . 1 1 10 10 ARG HD2 H . . . . . 4.0 2.6 5.0 . . . . . A . 11 ARG H . . A . 10 ARG HD2 . A* . 11 . HN . . . A* . 10 . HD# . . c25474_2mz6 1 79 2 OR . 1 1 11 11 ARG H H . . . 1 1 10 10 ARG HD3 H . . . . . 4.0 2.6 5.0 . . . . . A . 11 ARG H . . A . 10 ARG HD3 . A* . 11 . HN . . . A* . 10 . HD# . . c25474_2mz6 1 80 1 . . 1 1 11 11 ARG H H . . . 1 1 12 12 PHE HA H . . . . . 4.0 3.0 6.0 . . . . . A . 11 ARG H . . A . 12 PHE HA . A* . 11 . HN . . . A* . 12 . HA . . c25474_2mz6 1 81 1 . . 1 1 11 11 ARG H H . . . 1 1 12 12 PHE HB3 H . . . . . 3.0 1.8 4.0 . . . . . A . 11 ARG H . . A . 12 PHE HB3 . A* . 11 . HN . . . A* . 12 . HB1 . . c25474_2mz6 1 82 1 . . 1 1 12 12 PHE H H . . . 1 1 11 11 ARG HG3 H . . . . . 4.0 2.3 5.0 . . . . . A . 12 PHE H . . A . 11 ARG HG3 . A* . 12 . HN . . . A* . 11 . HG1 . . c25474_2mz6 1 83 1 . . 1 1 12 12 PHE H H . . . 1 1 11 11 ARG HG2 H . . . . . 4.0 3.0 6.0 . . . . . A . 12 PHE H . . A . 11 ARG HG2 . A* . 12 . HN . . . A* . 11 . HG2 . . c25474_2mz6 1 84 1 . . 1 1 13 13 CYS H H . . . 1 1 14 14 VAL HB H . . . . . 4.0 3.0 6.0 . . . . . A . 13 CYS H . . A . 14 VAL HB . A* . 13 . HN . . . A* . 14 . HB . . c25474_2mz6 1 85 1 . . 1 1 13 13 CYS HA H . . . 1 1 14 14 VAL MG1 H . . . . . 3.0 1.8 4.0 . . . . . A . 13 CYS HA . . A . 14 VAL MG1 . A* . 13 . HA . . . A* . 14 . HG1# . . c25474_2mz6 1 86 1 . . 1 1 13 13 CYS HA H . . . 1 1 14 14 VAL HA H . . . . . 4.0 2.3 5.0 . . . . . A . 13 CYS HA . . A . 14 VAL HA . A* . 13 . HA . . . A* . 14 . HA . . c25474_2mz6 1 87 1 . . 1 1 14 14 VAL MG1 H . . . 1 1 13 13 CYS HB3 H . . . . . 4.0 3.0 6.0 . . . . . A . 14 VAL MG1 . . A . 13 CYS HB3 . A* . 14 . HG1# . . . A* . 13 . HB1 . . c25474_2mz6 1 88 1 . . 1 1 15 15 CYS HA H . . . 1 1 14 14 VAL HB H . . . . . 4.0 3.0 6.0 . . . . . A . 15 CYS HA . . A . 14 VAL HB . A* . 15 . HA . . . A* . 14 . HB . . c25474_2mz6 1 89 1 . . 1 1 15 15 CYS HA H . . . 1 1 14 14 VAL MG1 H . . . . . 4.0 2.3 5.0 . . . . . A . 15 CYS HA . . A . 14 VAL MG1 . A* . 15 . HA . . . A* . 14 . HG1# . . c25474_2mz6 1 90 1 . . 1 1 15 15 CYS HA H . . . 1 1 14 14 VAL MG2 H . . . . . 4.0 2.3 5.0 . . . . . A . 15 CYS HA . . A . 14 VAL MG2 . A* . 15 . HA . . . A* . 14 . HG2# . . c25474_2mz6 1 91 1 OR . 1 1 15 15 CYS HA H . . . 1 1 16 16 VAL MG1 H . . . . . 4.0 2.3 5.0 . . . . . A . 15 CYS HA . . A . 16 VAL MG1 . A* . 15 . HA . . . A* . 16 . HG# . . c25474_2mz6 1 91 2 OR . 1 1 15 15 CYS HA H . . . 1 1 16 16 VAL MG2 H . . . . . 4.0 2.3 5.0 . . . . . A . 15 CYS HA . . A . 16 VAL MG2 . A* . 15 . HA . . . A* . 16 . HG# . . c25474_2mz6 1 92 1 . . 1 1 16 16 VAL HA H . . . 1 1 15 15 CYS HB2 H . . . . . 4.0 2.3 5.0 . . . . . A . 16 VAL HA . . A . 15 CYS HB2 . A* . 16 . HA . . . A* . 15 . HB2 . . c25474_2mz6 1 93 1 OR . 1 1 16 16 VAL H H . . . 1 1 17 17 GLY HA2 H . . . . . 4.0 2.3 5.0 . . . . . A . 16 VAL H . . A . 17 GLY HA2 . A* . 16 . HN . . . A* . 17 . HA# . . c25474_2mz6 1 93 2 OR . 1 1 16 16 VAL H H . . . 1 1 17 17 GLY HA3 H . . . . . 4.0 2.3 5.0 . . . . . A . 16 VAL H . . A . 17 GLY HA3 . A* . 16 . HN . . . A* . 17 . HA# . . c25474_2mz6 1 94 1 OR . 1 1 16 16 VAL HA H . . . 1 1 17 17 GLY HA2 H . . . . . 4.0 2.3 5.0 . . . . . A . 16 VAL HA . . A . 17 GLY HA2 . A* . 16 . HA . . . A* . 17 . HA# . . c25474_2mz6 1 94 2 OR . 1 1 16 16 VAL HA H . . . 1 1 17 17 GLY HA3 H . . . . . 4.0 2.3 5.0 . . . . . A . 16 VAL HA . . A . 17 GLY HA3 . A* . 16 . HA . . . A* . 17 . HA# . . c25474_2mz6 1 95 1 OR . 1 1 16 16 VAL HB H . . . 1 1 17 17 GLY HA2 H . . . . . 4.0 2.3 5.0 . . . . . A . 16 VAL HB . . A . 17 GLY HA2 . A* . 16 . HB . . . A* . 17 . HA# . . c25474_2mz6 1 95 2 OR . 1 1 17 17 GLY HA3 H . . . 1 1 16 16 VAL HB H . . . . . 4.0 2.3 5.0 . . . . . A . 17 GLY HA3 . . A . 16 VAL HB . A* . 17 . HA# . . . A* . 16 . HB . . c25474_2mz6 1 96 1 OR . 1 1 17 17 GLY H H . . . 1 1 16 16 VAL MG1 H . . . . . 4.0 2.3 5.0 . . . . . A . 17 GLY H . . A . 16 VAL MG1 . A* . 17 . HN . . . A* . 16 . HG# . . c25474_2mz6 1 96 2 OR . 1 1 17 17 GLY H H . . . 1 1 16 16 VAL MG2 H . . . . . 4.0 2.3 5.0 . . . . . A . 17 GLY H . . A . 16 VAL MG2 . A* . 17 . HN . . . A* . 16 . HG# . . c25474_2mz6 1 97 1 OR . 1 1 16 16 VAL MG2 H . . . 1 1 17 17 GLY HA2 H . . . . . 4.0 2.3 6.0 . . . . . A . 16 VAL MG2 . . A . 17 GLY HA2 . A* . 16 . HG# . . . A* . 17 . HA# . . c25474_2mz6 1 97 2 OR . 1 1 16 16 VAL MG1 H . . . 1 1 17 17 GLY HA2 H . . . . . 4.0 2.3 6.0 . . . . . A . 16 VAL MG1 . . A . 17 GLY HA2 . A* . 16 . HG# . . . A* . 17 . HA# . . c25474_2mz6 1 97 3 OR . 1 1 17 17 GLY HA3 H . . . 1 1 16 16 VAL MG1 H . . . . . 4.0 2.3 6.0 . . . . . A . 17 GLY HA3 . . A . 16 VAL MG1 . A* . 17 . HA# . . . A* . 16 . HG# . . c25474_2mz6 1 97 4 OR . 1 1 17 17 GLY HA3 H . . . 1 1 16 16 VAL MG2 H . . . . . 4.0 2.3 6.0 . . . . . A . 17 GLY HA3 . . A . 16 VAL MG2 . A* . 17 . HA# . . . A* . 16 . HG# . . c25474_2mz6 1 98 1 OR . 1 1 16 16 VAL MG2 H . . . 1 1 18 18 ARG HB2 H . . . . . 4.0 3.0 7.0 . . . . . A . 16 VAL MG2 . . A . 18 ARG HB2 . A* . 16 . HG# . . . A* . 18 . HB# . . c25474_2mz6 1 98 2 OR . 1 1 18 18 ARG HB3 H . . . 1 1 16 16 VAL MG1 H . . . . . 4.0 3.0 7.0 . . . . . A . 18 ARG HB3 . . A . 16 VAL MG1 . A* . 18 . HB# . . . A* . 16 . HG# . . c25474_2mz6 1 98 3 OR . 1 1 16 16 VAL MG2 H . . . 1 1 18 18 ARG HB3 H . . . . . 4.0 3.0 7.0 . . . . . A . 16 VAL MG2 . . A . 18 ARG HB3 . A* . 16 . HG# . . . A* . 18 . HB# . . c25474_2mz6 1 98 4 OR . 1 1 16 16 VAL MG1 H . . . 1 1 18 18 ARG HB2 H . . . . . 4.0 3.0 7.0 . . . . . A . 16 VAL MG1 . . A . 18 ARG HB2 . A* . 16 . HG# . . . A* . 18 . HB# . . c25474_2mz6 1 99 1 OR . 1 1 18 18 ARG H H . . . 1 1 16 16 VAL MG1 H . . . . . 4.0 3.0 6.0 . . . . . A . 18 ARG H . . A . 16 VAL MG1 . A* . 18 . HN . . . A* . 16 . HG# . . c25474_2mz6 1 99 2 OR . 1 1 18 18 ARG H H . . . 1 1 16 16 VAL MG2 H . . . . . 4.0 3.0 6.0 . . . . . A . 18 ARG H . . A . 16 VAL MG2 . A* . 18 . HN . . . A* . 16 . HG# . . c25474_2mz6 1 100 1 OR . 1 1 18 18 ARG HA H . . . 1 1 17 17 GLY HA2 H . . . . . 4.0 2.3 5.0 . . . . . A . 18 ARG HA . . A . 17 GLY HA2 . A* . 18 . HA . . . A* . 17 . HA# . . c25474_2mz6 1 100 2 OR . 1 1 17 17 GLY HA3 H . . . 1 1 18 18 ARG HA H . . . . . 4.0 2.3 5.0 . . . . . A . 17 GLY HA3 . . A . 18 ARG HA . A* . 17 . HA# . . . A* . 18 . HA . . c25474_2mz6 1 101 1 OR . 1 1 17 17 GLY HA2 H . . . 1 1 18 18 ARG HB2 H . . . . . 4.0 2.3 5.0 . . . . . A . 17 GLY HA2 . . A . 18 ARG HB2 . A* . 17 . HA# . . . A* . 18 . HB# . . c25474_2mz6 1 101 2 OR . 1 1 17 17 GLY HA3 H . . . 1 1 18 18 ARG HB2 H . . . . . 4.0 2.3 5.0 . . . . . A . 17 GLY HA3 . . A . 18 ARG HB2 . A* . 17 . HA# . . . A* . 18 . HB# . . c25474_2mz6 1 101 3 OR . 1 1 18 18 ARG HB3 H . . . 1 1 17 17 GLY HA2 H . . . . . 4.0 2.3 5.0 . . . . . A . 18 ARG HB3 . . A . 17 GLY HA2 . A* . 18 . HB# . . . A* . 17 . HA# . . c25474_2mz6 1 101 4 OR . 1 1 17 17 GLY HA3 H . . . 1 1 18 18 ARG HB3 H . . . . . 4.0 2.3 5.0 . . . . . A . 17 GLY HA3 . . A . 18 ARG HB3 . A* . 17 . HA# . . . A* . 18 . HB# . . c25474_2mz6 1 102 1 OR . 2 1 3 3 GLY H H . . . 2 1 2 2 GLY HA2 H . . . . . 2.5 1.8 2.7 . . . . . B . 3 GLY H . . B . 2 GLY HA2 . B* . 3 . HN . . . B* . 2 . HA# . . c25474_2mz6 1 102 2 OR . 2 1 2 2 GLY HA3 H . . . 2 1 3 3 GLY H H . . . . . 2.5 1.8 2.7 . . . . . B . 2 GLY HA3 . . B . 3 GLY H . B* . 2 . HA# . . . B* . 3 . HN . . c25474_2mz6 1 103 1 OR . 2 1 4 4 GLY H H . . . 2 1 3 3 GLY HA2 H . . . . . 2.5 1.8 2.7 . . . . . B . 4 GLY H . . B . 3 GLY HA2 . B* . 4 . HN . . . B* . 3 . HA# . . c25474_2mz6 1 103 2 OR . 2 1 3 3 GLY HA3 H . . . 2 1 4 4 GLY H H . . . . . 2.5 1.8 2.7 . . . . . B . 3 GLY HA3 . . B . 4 GLY H . B* . 3 . HA# . . . B* . 4 . HN . . c25474_2mz6 1 104 1 OR . 2 1 5 5 LEU H H . . . 2 1 4 4 GLY HA2 H . . . . . 2.5 1.8 2.7 . . . . . B . 5 LEU H . . B . 4 GLY HA2 . B* . 5 . HN . . . B* . 4 . HA# . . c25474_2mz6 1 104 2 OR . 2 1 4 4 GLY HA3 H . . . 2 1 5 5 LEU H H . . . . . 2.5 1.8 2.7 . . . . . B . 4 GLY HA3 . . B . 5 LEU H . B* . 4 . HA# . . . B* . 5 . HN . . c25474_2mz6 1 105 1 . . 2 1 6 6 CYS HA H . . . 2 1 7 7 TYR H H . . . . . 2.5 1.8 2.7 . . . . . B . 6 CYS HA . . B . 7 TYR H . B* . 6 . HA . . . B* . 7 . HN . . c25474_2mz6 1 106 1 . . 2 1 7 7 TYR HA H . . . 2 1 8 8 CYS H H . . . . . 2.5 1.8 2.7 . . . . . B . 7 TYR HA . . B . 8 CYS H . B* . 7 . HA . . . B* . 8 . HN . . c25474_2mz6 1 107 1 . . 2 1 8 8 CYS HA H . . . 2 1 9 9 ARG H H . . . . . 2.5 1.8 2.7 . . . . . B . 8 CYS HA . . B . 9 ARG H . B* . 8 . HA . . . B* . 9 . HN . . c25474_2mz6 1 108 1 . . 2 1 9 9 ARG HA H . . . 2 1 10 10 ARG H H . . . . . 2.5 1.8 2.7 . . . . . B . 9 ARG HA . . B . 10 ARG H . B* . 9 . HA . . . B* . 10 . HN . . c25474_2mz6 1 109 1 . . 2 1 10 10 ARG HA H . . . 2 1 11 11 ARG H H . . . . . 3.0 2.3 3.5 . . . . . B . 10 ARG HA . . B . 11 ARG H . B* . 10 . HA . . . B* . 11 . HN . . c25474_2mz6 1 110 1 . . 2 1 11 11 ARG HA H . . . 2 1 12 12 PHE H H . . . . . 2.5 1.8 2.7 . . . . . B . 11 ARG HA . . B . 12 PHE H . B* . 11 . HA . . . B* . 12 . HN . . c25474_2mz6 1 111 1 . . 2 1 12 12 PHE HA H . . . 2 1 13 13 CYS H H . . . . . 2.5 1.8 2.7 . . . . . B . 12 PHE HA . . B . 13 CYS H . B* . 12 . HA . . . B* . 13 . HN . . c25474_2mz6 1 112 1 . . 2 1 13 13 CYS HA H . . . 2 1 14 14 VAL H H . . . . . 2.5 1.8 2.7 . . . . . B . 13 CYS HA . . B . 14 VAL H . B* . 13 . HA . . . B* . 14 . HN . . c25474_2mz6 1 113 1 . . 2 1 14 14 VAL HA H . . . 2 1 15 15 CYS H H . . . . . 2.5 1.8 2.7 . . . . . B . 14 VAL HA . . B . 15 CYS H . B* . 14 . HA . . . B* . 15 . HN . . c25474_2mz6 1 114 1 . . 2 1 15 15 CYS HA H . . . 2 1 16 16 VAL H H . . . . . 2.5 1.8 2.7 . . . . . B . 15 CYS HA . . B . 16 VAL H . B* . 15 . HA . . . B* . 16 . HN . . c25474_2mz6 1 115 1 . . 2 1 16 16 VAL HA H . . . 2 1 17 17 GLY H H . . . . . 2.5 1.8 2.7 . . . . . B . 16 VAL HA . . B . 17 GLY H . B* . 16 . HA . . . B* . 17 . HN . . c25474_2mz6 1 116 1 OR . 2 1 18 18 ARG H H . . . 2 1 17 17 GLY HA2 H . . . . . 2.5 1.8 2.7 . . . . . B . 18 ARG H . . B . 17 GLY HA2 . B* . 18 . HN . . . B* . 17 . HA# . . c25474_2mz6 1 116 2 OR . 2 1 17 17 GLY HA3 H . . . 2 1 18 18 ARG H H . . . . . 2.5 1.8 2.7 . . . . . B . 17 GLY HA3 . . B . 18 ARG H . B* . 17 . HA# . . . B* . 18 . HN . . c25474_2mz6 1 117 1 . . 2 1 3 3 GLY H H . . . 2 1 2 2 GLY H H . . . . . 4.0 2.3 5.0 . . . . . B . 3 GLY H . . B . 2 GLY H . B* . 3 . HN . . . B* . 2 . HN . . c25474_2mz6 1 118 1 . . 2 1 3 3 GLY H H . . . 2 1 4 4 GLY H H . . . . . 4.0 2.3 5.0 . . . . . B . 3 GLY H . . B . 4 GLY H . B* . 3 . HN . . . B* . 4 . HN . . c25474_2mz6 1 119 1 . . 2 1 4 4 GLY H H . . . 2 1 5 5 LEU H H . . . . . 4.0 2.3 5.0 . . . . . B . 4 GLY H . . B . 5 LEU H . B* . 4 . HN . . . B* . 5 . HN . . c25474_2mz6 1 120 1 . . 2 1 5 5 LEU H H . . . 2 1 6 6 CYS H H . . . . . 4.0 2.3 5.0 . . . . . B . 5 LEU H . . B . 6 CYS H . B* . 5 . HN . . . B* . 6 . HN . . c25474_2mz6 1 121 1 . . 2 1 7 7 TYR H H . . . 2 1 6 6 CYS H H . . . . . 4.0 2.3 5.0 . . . . . B . 7 TYR H . . B . 6 CYS H . B* . 7 . HN . . . B* . 6 . HN . . c25474_2mz6 1 122 1 . . 2 1 7 7 TYR H H . . . 2 1 8 8 CYS H H . . . . . 4.0 2.3 5.0 . . . . . B . 7 TYR H . . B . 8 CYS H . B* . 7 . HN . . . B* . 8 . HN . . c25474_2mz6 1 123 1 . . 2 1 8 8 CYS H H . . . 2 1 9 9 ARG H H . . . . . 4.0 3.0 7.0 . . . . . B . 8 CYS H . . B . 9 ARG H . B* . 8 . HN . . . B* . 9 . HN . . c25474_2mz6 1 124 1 . . 2 1 9 9 ARG H H . . . 2 1 10 10 ARG H H . . . . . 4.0 2.5 7.0 . . . . . B . 9 ARG H . . B . 10 ARG H . B* . 9 . HN . . . B* . 10 . HN . . c25474_2mz6 1 125 1 . . 2 1 11 11 ARG H H . . . 2 1 12 12 PHE H H . . . . . 3.0 1.8 3.5 . . . . . B . 11 ARG H . . B . 12 PHE H . B* . 11 . HN . . . B* . 12 . HN . . c25474_2mz6 1 126 1 . . 2 1 12 12 PHE H H . . . 2 1 13 13 CYS H H . . . . . 4.0 2.3 5.0 . . . . . B . 12 PHE H . . B . 13 CYS H . B* . 12 . HN . . . B* . 13 . HN . . c25474_2mz6 1 127 1 . . 2 1 14 14 VAL H H . . . 2 1 15 15 CYS H H . . . . . 4.0 2.3 5.0 . . . . . B . 14 VAL H . . B . 15 CYS H . B* . 14 . HN . . . B* . 15 . HN . . c25474_2mz6 1 128 1 . . 2 1 15 15 CYS H H . . . 2 1 16 16 VAL H H . . . . . 4.0 2.3 5.0 . . . . . B . 15 CYS H . . B . 16 VAL H . B* . 15 . HN . . . B* . 16 . HN . . c25474_2mz6 1 129 1 . . 2 1 16 16 VAL H H . . . 2 1 17 17 GLY H H . . . . . 4.0 2.3 5.0 . . . . . B . 16 VAL H . . B . 17 GLY H . B* . 16 . HN . . . B* . 17 . HN . . c25474_2mz6 1 130 1 . . 2 1 17 17 GLY H H . . . 2 1 18 18 ARG H H . . . . . 4.0 2.3 5.0 . . . . . B . 17 GLY H . . B . 18 ARG H . B* . 17 . HN . . . B* . 18 . HN . . c25474_2mz6 1 131 1 OR . 2 1 2 2 GLY H H . . . 2 1 1 1 ARG HB2 H . . . . . 2.5 1.8 2.7 . . . . . B . 2 GLY H . . B . 1 ARG HB2 . B* . 2 . HN . . . B* . 1 . HB# . . c25474_2mz6 1 131 2 OR . 2 1 2 2 GLY H H . . . 2 1 1 1 ARG HB3 H . . . . . 2.5 1.8 2.7 . . . . . B . 2 GLY H . . B . 1 ARG HB3 . B* . 2 . HN . . . B* . 1 . HB# . . c25474_2mz6 1 132 1 OR . 2 1 6 6 CYS H H . . . 2 1 5 5 LEU HB2 H . . . . . 3.0 1.8 3.5 . . . . . B . 6 CYS H . . B . 5 LEU HB2 . B* . 6 . HN . . . B* . 5 . HB# . . c25474_2mz6 1 132 2 OR . 2 1 6 6 CYS H H . . . 2 1 5 5 LEU HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 6 CYS H . . B . 5 LEU HB3 . B* . 6 . HN . . . B* . 5 . HB# . . c25474_2mz6 1 133 1 OR . 2 1 7 7 TYR H H . . . 2 1 6 6 CYS HB3 H . . . . . 4.0 2.3 5.0 . . . . . B . 7 TYR H . . B . 6 CYS HB3 . B* . 7 . HN . . . B* . 6 . HB# . . c25474_2mz6 1 133 2 OR . 2 1 7 7 TYR H H . . . 2 1 6 6 CYS HB2 H . . . . . 4.0 2.3 5.0 . . . . . B . 7 TYR H . . B . 6 CYS HB2 . B* . 7 . HN . . . B* . 6 . HB# . . c25474_2mz6 1 134 1 . . 2 1 8 8 CYS H H . . . 2 1 7 7 TYR HB2 H . . . . . 4.0 2.3 5.0 . . . . . B . 8 CYS H . . B . 7 TYR HB2 . B* . 8 . HN . . . B* . 7 . HB2 . . c25474_2mz6 1 135 1 . . 2 1 9 9 ARG H H . . . 2 1 8 8 CYS HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 9 ARG H . . B . 8 CYS HB3 . B* . 9 . HN . . . B* . 8 . HB1 . . c25474_2mz6 1 136 1 . . 2 1 9 9 ARG H H . . . 2 1 8 8 CYS HB2 H . . . . . 4.0 2.3 5.0 . . . . . B . 9 ARG H . . B . 8 CYS HB2 . B* . 9 . HN . . . B* . 8 . HB2 . . c25474_2mz6 1 137 1 . . 2 1 10 10 ARG H H . . . 2 1 9 9 ARG HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 10 ARG H . . B . 9 ARG HB3 . B* . 10 . HN . . . B* . 9 . HB1 . . c25474_2mz6 1 138 1 OR . 2 1 12 12 PHE H H . . . 2 1 11 11 ARG HB2 H . . . . . 4.0 2.3 5.0 . . . . . B . 12 PHE H . . B . 11 ARG HB2 . B* . 12 . HN . . . B* . 11 . HB# . . c25474_2mz6 1 138 2 OR . 2 1 12 12 PHE H H . . . 2 1 11 11 ARG HB3 H . . . . . 4.0 2.3 5.0 . . . . . B . 12 PHE H . . B . 11 ARG HB3 . B* . 12 . HN . . . B* . 11 . HB# . . c25474_2mz6 1 139 1 . . 2 1 13 13 CYS H H . . . 2 1 12 12 PHE HB3 H . . . . . 4.0 2.3 5.0 . . . . . B . 13 CYS H . . B . 12 PHE HB3 . B* . 13 . HN . . . B* . 12 . HB1 . . c25474_2mz6 1 140 1 . . 2 1 13 13 CYS H H . . . 2 1 12 12 PHE HB2 H . . . . . 3.0 1.8 3.5 . . . . . B . 13 CYS H . . B . 12 PHE HB2 . B* . 13 . HN . . . B* . 12 . HB2 . . c25474_2mz6 1 141 1 . . 2 1 14 14 VAL H H . . . 2 1 13 13 CYS HB2 H . . . . . 4.0 2.3 5.0 . . . . . B . 14 VAL H . . B . 13 CYS HB2 . B* . 14 . HN . . . B* . 13 . HB2 . . c25474_2mz6 1 142 1 OR . 2 1 16 16 VAL H H . . . 2 1 15 15 CYS HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 16 VAL H . . B . 15 CYS HB3 . B* . 16 . HN . . . B* . 15 . HB# . . c25474_2mz6 1 142 2 OR . 2 1 16 16 VAL H H . . . 2 1 15 15 CYS HB2 H . . . . . 3.0 1.8 3.5 . . . . . B . 16 VAL H . . B . 15 CYS HB2 . B* . 16 . HN . . . B* . 15 . HB# . . c25474_2mz6 1 143 1 . . 2 1 17 17 GLY H H . . . 2 1 16 16 VAL HB H . . . . . 3.0 1.8 3.5 . . . . . B . 17 GLY H . . B . 16 VAL HB . B* . 17 . HN . . . B* . 16 . HB# . . c25474_2mz6 1 144 1 . . 2 1 9 9 ARG H H . . . 2 1 12 12 PHE H H . . . . . 3.0 1.8 4.0 . . . . . B . 9 ARG H . . B . 12 PHE H . B* . 9 . HN . . . B* . 12 . HN . . c25474_2mz6 1 145 1 OR . 2 1 5 5 LEU H H . . . 2 1 3 3 GLY HA2 H . . . . . 4.0 3.0 7.0 . . . . . B . 5 LEU H . . B . 3 GLY HA2 . B* . 5 . HN . . . B* . 3 . HA# . . c25474_2mz6 1 145 2 OR . 2 1 3 3 GLY HA3 H . . . 2 1 5 5 LEU H H . . . . . 4.0 3.0 7.0 . . . . . B . 3 GLY HA3 . . B . 5 LEU H . B* . 3 . HA# . . . B* . 5 . HN . . c25474_2mz6 1 146 1 . . 2 1 18 18 ARG H H . . . 2 1 16 16 VAL HB H . . . . . 4.0 3.0 7.0 . . . . . B . 18 ARG H . . B . 16 VAL HB . B* . 18 . HN . . . B* . 16 . HB . . c25474_2mz6 1 147 1 . . 2 1 6 6 CYS HA H . . . 2 1 7 7 TYR QD H . . . . . 4.0 3.0 7.0 . . . . . B . 6 CYS HA . . B . 7 TYR QD . B* . 6 . HA . . . B* . 7 . HD# . . c25474_2mz6 1 148 1 . . 2 1 6 6 CYS H H . . . 2 1 7 7 TYR QD H . . . . . 4.0 2.3 5.0 . . . . . B . 6 CYS H . . B . 7 TYR QD . B* . 6 . HN . . . B* . 7 . HD# . . c25474_2mz6 1 149 1 . . 2 1 8 8 CYS HA H . . . 2 1 7 7 TYR QD H . . . . . 4.0 2.3 5.0 . . . . . B . 8 CYS HA . . B . 7 TYR QD . B* . 8 . HA . . . B* . 7 . HD# . . c25474_2mz6 1 150 1 . . 2 1 8 8 CYS HB2 H . . . 2 1 7 7 TYR QD H . . . . . 4.0 2.3 5.0 . . . . . B . 8 CYS HB2 . . B . 7 TYR QD . B* . 8 . HB2 . . . B* . 7 . HD# . . c25474_2mz6 1 151 1 OR . 2 1 7 7 TYR QD H . . . 2 1 6 6 CYS HB3 H . . . . . 4.0 3.0 7.0 . . . . . B . 7 TYR QD . . B . 6 CYS HB3 . B* . 7 . HD# . . . B* . 6 . HB# . . c25474_2mz6 1 151 2 OR . 2 1 6 6 CYS HB2 H . . . 2 1 7 7 TYR QD H . . . . . 4.0 3.0 7.0 . . . . . B . 6 CYS HB2 . . B . 7 TYR QD . B* . 6 . HB# . . . B* . 7 . HD# . . c25474_2mz6 1 152 1 . . 2 1 8 8 CYS HA H . . . 2 1 7 7 TYR QE H . . . . . 4.0 3.0 7.0 . . . . . B . 8 CYS HA . . B . 7 TYR QE . B* . 8 . HA . . . B* . 7 . HE# . . c25474_2mz6 1 153 1 . . 2 1 8 8 CYS H H . . . 2 1 7 7 TYR QE H . . . . . 4.0 2.3 5.0 . . . . . B . 8 CYS H . . B . 7 TYR QE . B* . 8 . HN . . . B* . 7 . HE# . . c25474_2mz6 1 154 1 OR . 2 1 12 12 PHE QD H . . . 2 1 14 14 VAL MG2 H . . . . . 4.0 3.0 6.0 . . . . . B . 12 PHE QD . . B . 14 VAL MG2 . B* . 12 . HD# . . . B* . 14 . HG# . . c25474_2mz6 1 154 2 OR . 2 1 12 12 PHE QD H . . . 2 1 14 14 VAL MG1 H . . . . . 4.0 3.0 6.0 . . . . . B . 12 PHE QD . . B . 14 VAL MG1 . B* . 12 . HD# . . . B* . 14 . HG# . . c25474_2mz6 1 155 1 OR . 2 1 12 12 PHE QD H . . . 2 1 11 11 ARG HB2 H . . . . . 4.0 2.3 5.0 . . . . . B . 12 PHE QD . . B . 11 ARG HB2 . B* . 12 . HD# . . . B* . 11 . HB# . . c25474_2mz6 1 155 2 OR . 2 1 11 11 ARG HB3 H . . . 2 1 12 12 PHE QD H . . . . . 4.0 2.3 5.0 . . . . . B . 11 ARG HB3 . . B . 12 PHE QD . B* . 11 . HB# . . . B* . 12 . HD# . . c25474_2mz6 1 156 1 . . 2 1 12 12 PHE QD H . . . 2 1 10 10 ARG HG3 H . . . . . 4.0 3.0 7.0 . . . . . B . 12 PHE QD . . B . 10 ARG HG3 . B* . 12 . HD# . . . B* . 10 . HG1 . . c25474_2mz6 1 157 1 . . 2 1 13 13 CYS H H . . . 2 1 12 12 PHE QE H . . . . . 4.0 3.0 6.0 . . . . . B . 13 CYS H . . B . 12 PHE QE . B* . 13 . HN . . . B* . 12 . HE# . . c25474_2mz6 1 158 1 OR . 2 1 12 12 PHE QE H . . . 2 1 14 14 VAL MG2 H . . . . . 4.0 2.3 5.0 . . . . . B . 12 PHE QE . . B . 14 VAL MG2 . B* . 12 . HE# . . . B* . 14 . HG# . . c25474_2mz6 1 158 2 OR . 2 1 14 14 VAL MG1 H . . . 2 1 12 12 PHE QE H . . . . . 4.0 2.3 5.0 . . . . . B . 14 VAL MG1 . . B . 12 PHE QE . B* . 14 . HG# . . . B* . 12 . HE# . . c25474_2mz6 1 159 1 . . 2 1 11 11 ARG H H . . . 2 1 12 12 PHE QE H . . . . . 4.0 3.0 7.0 . . . . . B . 11 ARG H . . B . 12 PHE QE . B* . 11 . HN . . . B* . 12 . HE# . . c25474_2mz6 1 160 1 OR . 2 1 2 2 GLY H H . . . 2 1 1 1 ARG HD2 H . . . . . 3.0 1.8 3.5 . . . . . B . 2 GLY H . . B . 1 ARG HD2 . B* . 2 . HN . . . B* . 1 . HD# . . c25474_2mz6 1 160 2 OR . 2 1 2 2 GLY H H . . . 2 1 1 1 ARG HD3 H . . . . . 3.0 1.8 3.5 . . . . . B . 2 GLY H . . B . 1 ARG HD3 . B* . 2 . HN . . . B* . 1 . HD# . . c25474_2mz6 1 161 1 . . 2 1 2 2 GLY H H . . . 2 1 1 1 ARG HG3 H . . . . . 4.0 2.3 5.0 . . . . . B . 2 GLY H . . B . 1 ARG HG3 . B* . 2 . HN . . . B* . 1 . HG1 . . c25474_2mz6 1 162 1 OR . 2 1 2 2 GLY H H . . . 2 1 3 3 GLY HA2 H . . . . . 4.0 3.0 6.0 . . . . . B . 2 GLY H . . B . 3 GLY HA2 . B* . 2 . HN . . . B* . 3 . HA# . . c25474_2mz6 1 162 2 OR . 2 1 3 3 GLY HA3 H . . . 2 1 2 2 GLY H H . . . . . 4.0 3.0 6.0 . . . . . B . 3 GLY HA3 . . B . 2 GLY H . B* . 3 . HA# . . . B* . 2 . HN . . c25474_2mz6 1 163 1 OR . 2 1 3 3 GLY H H . . . 2 1 4 4 GLY HA2 H . . . . . 4.0 3.0 6.0 . . . . . B . 3 GLY H . . B . 4 GLY HA2 . B* . 3 . HN . . . B* . 4 . HA# . . c25474_2mz6 1 163 2 OR . 2 1 3 3 GLY H H . . . 2 1 4 4 GLY HA3 H . . . . . 4.0 3.0 6.0 . . . . . B . 3 GLY H . . B . 4 GLY HA3 . B* . 3 . HN . . . B* . 4 . HA# . . c25474_2mz6 1 164 1 OR . 2 1 5 5 LEU HA H . . . 2 1 4 4 GLY HA2 H . . . . . 4.0 2.3 5.0 . . . . . B . 5 LEU HA . . B . 4 GLY HA2 . B* . 5 . HA . . . B* . 4 . HA# . . c25474_2mz6 1 164 2 OR . 2 1 4 4 GLY HA3 H . . . 2 1 5 5 LEU HA H . . . . . 4.0 2.3 5.0 . . . . . B . 4 GLY HA3 . . B . 5 LEU HA . B* . 4 . HA# . . . B* . 5 . HA . . c25474_2mz6 1 165 1 OR . 2 1 4 4 GLY HA3 H . . . 2 1 5 5 LEU HB2 H . . . . . 4.0 2.3 5.0 . . . . . B . 4 GLY HA3 . . B . 5 LEU HB2 . B* . 4 . HA# . . . B* . 5 . HB# . . c25474_2mz6 1 165 2 OR . 2 1 4 4 GLY HA2 H . . . 2 1 5 5 LEU HB2 H . . . . . 4.0 2.3 5.0 . . . . . B . 4 GLY HA2 . . B . 5 LEU HB2 . B* . 4 . HA# . . . B* . 5 . HB# . . c25474_2mz6 1 165 3 OR . 2 1 5 5 LEU HB3 H . . . 2 1 4 4 GLY HA2 H . . . . . 4.0 2.3 5.0 . . . . . B . 5 LEU HB3 . . B . 4 GLY HA2 . B* . 5 . HB# . . . B* . 4 . HA# . . c25474_2mz6 1 165 4 OR . 2 1 4 4 GLY HA3 H . . . 2 1 5 5 LEU HB3 H . . . . . 4.0 2.3 5.0 . . . . . B . 4 GLY HA3 . . B . 5 LEU HB3 . B* . 4 . HA# . . . B* . 5 . HB# . . c25474_2mz6 1 166 1 OR . 2 1 5 5 LEU MD1 H . . . 2 1 4 4 GLY HA2 H . . . . . 3.0 1.8 4.0 . . . . . B . 5 LEU MD1 . . B . 4 GLY HA2 . B* . 5 . HD1# . . . B* . 4 . HA# . . c25474_2mz6 1 166 2 OR . 2 1 4 4 GLY HA3 H . . . 2 1 5 5 LEU MD1 H . . . . . 3.0 1.8 4.0 . . . . . B . 4 GLY HA3 . . B . 5 LEU MD1 . B* . 4 . HA# . . . B* . 5 . HD1# . . c25474_2mz6 1 167 1 . . 2 1 5 5 LEU H H . . . 2 1 6 6 CYS HB2 H . . . . . 4.0 2.3 5.0 . . . . . B . 5 LEU H . . B . 6 CYS HB2 . B* . 5 . HN . . . B* . 6 . HB2 . . c25474_2mz6 1 168 1 . . 2 1 6 6 CYS H H . . . 2 1 5 5 LEU MD1 H . . . . . 4.0 2.3 5.0 . . . . . B . 6 CYS H . . B . 5 LEU MD1 . B* . 6 . HN . . . B* . 5 . HD1# . . c25474_2mz6 1 169 1 . . 2 1 6 6 CYS H H . . . 2 1 5 5 LEU MD2 H . . . . . 4.0 2.3 5.0 . . . . . B . 6 CYS H . . B . 5 LEU MD2 . B* . 6 . HN . . . B* . 5 . HD2# . . c25474_2mz6 1 170 1 . . 2 1 6 6 CYS H H . . . 2 1 5 5 LEU HG H . . . . . 4.0 2.3 5.0 . . . . . B . 6 CYS H . . B . 5 LEU HG . B* . 6 . HN . . . B* . 5 . HG . . c25474_2mz6 1 171 1 . . 2 1 7 7 TYR HA H . . . 2 1 6 6 CYS H H . . . . . 4.0 2.3 5.0 . . . . . B . 7 TYR HA . . B . 6 CYS H . B* . 7 . HA . . . B* . 6 . HN . . c25474_2mz6 1 172 1 OR . 2 1 8 8 CYS HA H . . . 2 1 9 9 ARG QH1 H . . . . . 4.0 3.0 6.0 . . . . . B . 8 CYS HA . . B . 9 ARG QH1 . B* . 8 . HA . . . B* . 9 . HH# . . c25474_2mz6 1 172 2 OR . 2 1 8 8 CYS HA H . . . 2 1 9 9 ARG QH2 H . . . . . 4.0 3.0 6.0 . . . . . B . 8 CYS HA . . B . 9 ARG QH2 . B* . 8 . HA . . . B* . 9 . HH# . . c25474_2mz6 1 173 1 . . 2 1 9 9 ARG HA H . . . 2 1 8 8 CYS HB2 H . . . . . 4.0 2.3 5.0 . . . . . B . 9 ARG HA . . B . 8 CYS HB2 . B* . 9 . HA . . . B* . 8 . HB2 . . c25474_2mz6 1 174 1 OR . 2 1 8 8 CYS HB2 H . . . 2 1 9 9 ARG QH1 H . . . . . 4.0 3.0 6.0 . . . . . B . 8 CYS HB2 . . B . 9 ARG QH1 . B* . 8 . HB2 . . . B* . 9 . HH# . . c25474_2mz6 1 174 2 OR . 2 1 8 8 CYS HB2 H . . . 2 1 9 9 ARG QH2 H . . . . . 4.0 3.0 6.0 . . . . . B . 8 CYS HB2 . . B . 9 ARG QH2 . B* . 8 . HB2 . . . B* . 9 . HH# . . c25474_2mz6 1 175 1 . . 2 1 9 9 ARG HA H . . . 2 1 11 11 ARG HA H . . . . . 4.0 3.0 7.0 . . . . . B . 9 ARG HA . . B . 11 ARG HA . B* . 9 . HA . . . B* . 11 . HA . . c25474_2mz6 1 176 1 OR . 2 1 13 13 CYS HA H . . . 2 1 9 9 ARG HB3 H . . . . . 4.0 2.3 5.0 . . . . . B . 13 CYS HA . . B . 9 ARG HB3 . B* . 13 . HA . . . B* . 9 . HB# . . c25474_2mz6 1 176 2 OR . 2 1 13 13 CYS HA H . . . 2 1 9 9 ARG HB2 H . . . . . 4.0 2.3 5.0 . . . . . B . 13 CYS HA . . B . 9 ARG HB2 . B* . 13 . HA . . . B* . 9 . HB# . . c25474_2mz6 1 177 1 . . 2 1 10 10 ARG HA H . . . 2 1 11 11 ARG HG2 H . . . . . 4.0 3.0 6.0 . . . . . B . 10 ARG HA . . B . 11 ARG HG2 . B* . 10 . HA . . . B* . 11 . HG2 . . c25474_2mz6 1 178 1 . . 2 1 11 11 ARG H H . . . 2 1 10 10 ARG HG3 H . . . . . 4.0 2.3 5.0 . . . . . B . 11 ARG H . . B . 10 ARG HG3 . B* . 11 . HN . . . B* . 10 . HG1 . . c25474_2mz6 1 179 1 . . 2 1 10 10 ARG HG3 H . . . 2 1 12 12 PHE QE H . . . . . 4.0 2.3 5.0 . . . . . B . 10 ARG HG3 . . B . 12 PHE QE . B* . 10 . HG1 . . . B* . 12 . HE# . . c25474_2mz6 1 180 1 OR . 2 1 11 11 ARG H H . . . 2 1 10 10 ARG HD2 H . . . . . 4.0 2.6 5.0 . . . . . B . 11 ARG H . . B . 10 ARG HD2 . B* . 11 . HN . . . B* . 10 . HD# . . c25474_2mz6 1 180 2 OR . 2 1 11 11 ARG H H . . . 2 1 10 10 ARG HD3 H . . . . . 4.0 2.6 5.0 . . . . . B . 11 ARG H . . B . 10 ARG HD3 . B* . 11 . HN . . . B* . 10 . HD# . . c25474_2mz6 1 181 1 . . 2 1 11 11 ARG H H . . . 2 1 12 12 PHE HA H . . . . . 4.0 3.0 6.0 . . . . . B . 11 ARG H . . B . 12 PHE HA . B* . 11 . HN . . . B* . 12 . HA . . c25474_2mz6 1 182 1 . . 2 1 11 11 ARG H H . . . 2 1 12 12 PHE HB3 H . . . . . 3.0 1.8 4.0 . . . . . B . 11 ARG H . . B . 12 PHE HB3 . B* . 11 . HN . . . B* . 12 . HB1 . . c25474_2mz6 1 183 1 . . 2 1 12 12 PHE H H . . . 2 1 11 11 ARG HG3 H . . . . . 4.0 2.3 5.0 . . . . . B . 12 PHE H . . B . 11 ARG HG3 . B* . 12 . HN . . . B* . 11 . HG1 . . c25474_2mz6 1 184 1 . . 2 1 12 12 PHE H H . . . 2 1 11 11 ARG HG2 H . . . . . 4.0 3.0 6.0 . . . . . B . 12 PHE H . . B . 11 ARG HG2 . B* . 12 . HN . . . B* . 11 . HG2 . . c25474_2mz6 1 185 1 . . 2 1 13 13 CYS H H . . . 2 1 14 14 VAL HB H . . . . . 4.0 3.0 6.0 . . . . . B . 13 CYS H . . B . 14 VAL HB . B* . 13 . HN . . . B* . 14 . HB . . c25474_2mz6 1 186 1 . . 2 1 13 13 CYS HA H . . . 2 1 14 14 VAL MG1 H . . . . . 3.0 1.8 4.0 . . . . . B . 13 CYS HA . . B . 14 VAL MG1 . B* . 13 . HA . . . B* . 14 . HG1# . . c25474_2mz6 1 187 1 . . 2 1 13 13 CYS HA H . . . 2 1 14 14 VAL HA H . . . . . 4.0 2.3 5.0 . . . . . B . 13 CYS HA . . B . 14 VAL HA . B* . 13 . HA . . . B* . 14 . HA . . c25474_2mz6 1 188 1 . . 2 1 14 14 VAL MG1 H . . . 2 1 13 13 CYS HB3 H . . . . . 4.0 3.0 6.0 . . . . . B . 14 VAL MG1 . . B . 13 CYS HB3 . B* . 14 . HG1# . . . B* . 13 . HB1 . . c25474_2mz6 1 189 1 . . 2 1 15 15 CYS HA H . . . 2 1 14 14 VAL HB H . . . . . 4.0 3.0 6.0 . . . . . B . 15 CYS HA . . B . 14 VAL HB . B* . 15 . HA . . . B* . 14 . HB . . c25474_2mz6 1 190 1 . . 2 1 15 15 CYS HA H . . . 2 1 14 14 VAL MG1 H . . . . . 4.0 2.3 5.0 . . . . . B . 15 CYS HA . . B . 14 VAL MG1 . B* . 15 . HA . . . B* . 14 . HG1# . . c25474_2mz6 1 191 1 . . 2 1 15 15 CYS HA H . . . 2 1 14 14 VAL MG2 H . . . . . 4.0 2.3 5.0 . . . . . B . 15 CYS HA . . B . 14 VAL MG2 . B* . 15 . HA . . . B* . 14 . HG2# . . c25474_2mz6 1 192 1 OR . 2 1 15 15 CYS HA H . . . 2 1 16 16 VAL MG1 H . . . . . 4.0 2.3 5.0 . . . . . B . 15 CYS HA . . B . 16 VAL MG1 . B* . 15 . HA . . . B* . 16 . HG# . . c25474_2mz6 1 192 2 OR . 2 1 15 15 CYS HA H . . . 2 1 16 16 VAL MG2 H . . . . . 4.0 2.3 5.0 . . . . . B . 15 CYS HA . . B . 16 VAL MG2 . B* . 15 . HA . . . B* . 16 . HG# . . c25474_2mz6 1 193 1 . . 2 1 16 16 VAL HA H . . . 2 1 15 15 CYS HB2 H . . . . . 4.0 2.3 5.0 . . . . . B . 16 VAL HA . . B . 15 CYS HB2 . B* . 16 . HA . . . B* . 15 . HB2 . . c25474_2mz6 1 194 1 OR . 2 1 16 16 VAL H H . . . 2 1 17 17 GLY HA2 H . . . . . 4.0 2.3 5.0 . . . . . B . 16 VAL H . . B . 17 GLY HA2 . B* . 16 . HN . . . B* . 17 . HA# . . c25474_2mz6 1 194 2 OR . 2 1 16 16 VAL H H . . . 2 1 17 17 GLY HA3 H . . . . . 4.0 2.3 5.0 . . . . . B . 16 VAL H . . B . 17 GLY HA3 . B* . 16 . HN . . . B* . 17 . HA# . . c25474_2mz6 1 195 1 OR . 2 1 16 16 VAL HA H . . . 2 1 17 17 GLY HA2 H . . . . . 4.0 2.3 5.0 . . . . . B . 16 VAL HA . . B . 17 GLY HA2 . B* . 16 . HA . . . B* . 17 . HA# . . c25474_2mz6 1 195 2 OR . 2 1 16 16 VAL HA H . . . 2 1 17 17 GLY HA3 H . . . . . 4.0 2.3 5.0 . . . . . B . 16 VAL HA . . B . 17 GLY HA3 . B* . 16 . HA . . . B* . 17 . HA# . . c25474_2mz6 1 196 1 OR . 2 1 16 16 VAL HB H . . . 2 1 17 17 GLY HA2 H . . . . . 4.0 2.3 5.0 . . . . . B . 16 VAL HB . . B . 17 GLY HA2 . B* . 16 . HB . . . B* . 17 . HA# . . c25474_2mz6 1 196 2 OR . 2 1 17 17 GLY HA3 H . . . 2 1 16 16 VAL HB H . . . . . 4.0 2.3 5.0 . . . . . B . 17 GLY HA3 . . B . 16 VAL HB . B* . 17 . HA# . . . B* . 16 . HB . . c25474_2mz6 1 197 1 OR . 2 1 17 17 GLY H H . . . 2 1 16 16 VAL MG1 H . . . . . 4.0 2.3 5.0 . . . . . B . 17 GLY H . . B . 16 VAL MG1 . B* . 17 . HN . . . B* . 16 . HG# . . c25474_2mz6 1 197 2 OR . 2 1 17 17 GLY H H . . . 2 1 16 16 VAL MG2 H . . . . . 4.0 2.3 5.0 . . . . . B . 17 GLY H . . B . 16 VAL MG2 . B* . 17 . HN . . . B* . 16 . HG# . . c25474_2mz6 1 198 1 OR . 2 1 16 16 VAL MG2 H . . . 2 1 17 17 GLY HA2 H . . . . . 4.0 2.3 6.0 . . . . . B . 16 VAL MG2 . . B . 17 GLY HA2 . B* . 16 . HG# . . . B* . 17 . HA# . . c25474_2mz6 1 198 2 OR . 2 1 16 16 VAL MG1 H . . . 2 1 17 17 GLY HA2 H . . . . . 4.0 2.3 6.0 . . . . . B . 16 VAL MG1 . . B . 17 GLY HA2 . B* . 16 . HG# . . . B* . 17 . HA# . . c25474_2mz6 1 198 3 OR . 2 1 17 17 GLY HA3 H . . . 2 1 16 16 VAL MG1 H . . . . . 4.0 2.3 6.0 . . . . . B . 17 GLY HA3 . . B . 16 VAL MG1 . B* . 17 . HA# . . . B* . 16 . HG# . . c25474_2mz6 1 198 4 OR . 2 1 17 17 GLY HA3 H . . . 2 1 16 16 VAL MG2 H . . . . . 4.0 2.3 6.0 . . . . . B . 17 GLY HA3 . . B . 16 VAL MG2 . B* . 17 . HA# . . . B* . 16 . HG# . . c25474_2mz6 1 199 1 OR . 2 1 16 16 VAL MG2 H . . . 2 1 18 18 ARG HB2 H . . . . . 4.0 3.0 7.0 . . . . . B . 16 VAL MG2 . . B . 18 ARG HB2 . B* . 16 . HG# . . . B* . 18 . HB# . . c25474_2mz6 1 199 2 OR . 2 1 18 18 ARG HB3 H . . . 2 1 16 16 VAL MG1 H . . . . . 4.0 3.0 7.0 . . . . . B . 18 ARG HB3 . . B . 16 VAL MG1 . B* . 18 . HB# . . . B* . 16 . HG# . . c25474_2mz6 1 199 3 OR . 2 1 16 16 VAL MG2 H . . . 2 1 18 18 ARG HB3 H . . . . . 4.0 3.0 7.0 . . . . . B . 16 VAL MG2 . . B . 18 ARG HB3 . B* . 16 . HG# . . . B* . 18 . HB# . . c25474_2mz6 1 199 4 OR . 2 1 16 16 VAL MG1 H . . . 2 1 18 18 ARG HB2 H . . . . . 4.0 3.0 7.0 . . . . . B . 16 VAL MG1 . . B . 18 ARG HB2 . B* . 16 . HG# . . . B* . 18 . HB# . . c25474_2mz6 1 200 1 OR . 2 1 18 18 ARG H H . . . 2 1 16 16 VAL MG1 H . . . . . 4.0 3.0 6.0 . . . . . B . 18 ARG H . . B . 16 VAL MG1 . B* . 18 . HN . . . B* . 16 . HG# . . c25474_2mz6 1 200 2 OR . 2 1 18 18 ARG H H . . . 2 1 16 16 VAL MG2 H . . . . . 4.0 3.0 6.0 . . . . . B . 18 ARG H . . B . 16 VAL MG2 . B* . 18 . HN . . . B* . 16 . HG# . . c25474_2mz6 1 201 1 OR . 2 1 18 18 ARG HA H . . . 2 1 17 17 GLY HA2 H . . . . . 4.0 2.3 5.0 . . . . . B . 18 ARG HA . . B . 17 GLY HA2 . B* . 18 . HA . . . B* . 17 . HA# . . c25474_2mz6 1 201 2 OR . 2 1 17 17 GLY HA3 H . . . 2 1 18 18 ARG HA H . . . . . 4.0 2.3 5.0 . . . . . B . 17 GLY HA3 . . B . 18 ARG HA . B* . 17 . HA# . . . B* . 18 . HA . . c25474_2mz6 1 202 1 OR . 2 1 17 17 GLY HA2 H . . . 2 1 18 18 ARG HB2 H . . . . . 4.0 2.3 5.0 . . . . . B . 17 GLY HA2 . . B . 18 ARG HB2 . B* . 17 . HA# . . . B* . 18 . HB# . . c25474_2mz6 1 202 2 OR . 2 1 18 18 ARG HB3 H . . . 2 1 17 17 GLY HA2 H . . . . . 4.0 2.3 5.0 . . . . . B . 18 ARG HB3 . . B . 17 GLY HA2 . B* . 18 . HB# . . . B* . 17 . HA# . . c25474_2mz6 1 202 3 OR . 2 1 17 17 GLY HA3 H . . . 2 1 18 18 ARG HB3 H . . . . . 4.0 2.3 5.0 . . . . . B . 17 GLY HA3 . . B . 18 ARG HB3 . B* . 17 . HA# . . . B* . 18 . HB# . . c25474_2mz6 1 202 4 OR . 2 1 17 17 GLY HA3 H . . . 2 1 18 18 ARG HB2 H . . . . . 4.0 2.3 5.0 . . . . . B . 17 GLY HA3 . . B . 18 ARG HB2 . B* . 17 . HA# . . . B* . 18 . HB# . . c25474_2mz6 1 203 1 OR . 1 1 1 1 ARG HA H . . . 1 1 1 1 ARG HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 1 ARG HA . . A . 1 ARG HB2 . A* . 1 . HA . . . A* . 1 . HB# . . c25474_2mz6 1 203 2 OR . 1 1 1 1 ARG HB3 H . . . 1 1 1 1 ARG HA H . . . . . 3.0 1.8 3.5 . . . . . A . 1 ARG HB3 . . A . 1 ARG HA . A* . 1 . HB# . . . A* . 1 . HA . . c25474_2mz6 1 204 1 OR . 1 1 2 2 GLY H H . . . 1 1 2 2 GLY HA2 H . . . . . 2.5 1.8 2.7 . . . . . A . 2 GLY H . . A . 2 GLY HA2 . A* . 2 . HN . . . A* . 2 . HA# . . c25474_2mz6 1 204 2 OR . 1 1 2 2 GLY HA3 H . . . 1 1 2 2 GLY H H . . . . . 2.5 1.8 2.7 . . . . . A . 2 GLY HA3 . . A . 2 GLY H . A* . 2 . HA# . . . A* . 2 . HN . . c25474_2mz6 1 205 1 OR . 1 1 3 3 GLY H H . . . 1 1 3 3 GLY HA2 H . . . . . 2.5 1.8 2.7 . . . . . A . 3 GLY H . . A . 3 GLY HA2 . A* . 3 . HN . . . A* . 3 . HA# . . c25474_2mz6 1 205 2 OR . 1 1 3 3 GLY H H . . . 1 1 3 3 GLY HA3 H . . . . . 2.5 1.8 2.7 . . . . . A . 3 GLY H . . A . 3 GLY HA3 . A* . 3 . HN . . . A* . 3 . HA# . . c25474_2mz6 1 206 1 OR . 1 1 4 4 GLY H H . . . 1 1 4 4 GLY HA2 H . . . . . 2.5 1.8 2.7 . . . . . A . 4 GLY H . . A . 4 GLY HA2 . A* . 4 . HN . . . A* . 4 . HA# . . c25474_2mz6 1 206 2 OR . 1 1 4 4 GLY H H . . . 1 1 4 4 GLY HA3 H . . . . . 2.5 1.8 2.7 . . . . . A . 4 GLY H . . A . 4 GLY HA3 . A* . 4 . HN . . . A* . 4 . HA# . . c25474_2mz6 1 207 1 . . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU HA H . . . . . 3.0 1.8 3.5 . . . . . A . 5 LEU H . . A . 5 LEU HA . A* . 5 . HN . . . A* . 5 . HA . . c25474_2mz6 1 208 1 OR . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 5 LEU H . . A . 5 LEU HB2 . A* . 5 . HN . . . A* . 5 . HB# . . c25474_2mz6 1 208 2 OR . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 5 LEU H . . A . 5 LEU HB3 . A* . 5 . HN . . . A* . 5 . HB# . . c25474_2mz6 1 209 1 OR . 1 1 5 5 LEU HA H . . . 1 1 5 5 LEU HB2 H . . . . . 4.0 2.3 5.0 . . . . . A . 5 LEU HA . . A . 5 LEU HB2 . A* . 5 . HA . . . A* . 5 . HB# . . c25474_2mz6 1 209 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 5 5 LEU HA H . . . . . 4.0 2.3 5.0 . . . . . A . 5 LEU HB3 . . A . 5 LEU HA . A* . 5 . HB# . . . A* . 5 . HA . . c25474_2mz6 1 210 1 . . 1 1 6 6 CYS HA H . . . 1 1 6 6 CYS H H . . . . . 4.0 2.3 5.0 . . . . . A . 6 CYS HA . . A . 6 CYS H . A* . 6 . HA . . . A* . 6 . HN . . c25474_2mz6 1 211 1 OR . 1 1 6 6 CYS H H . . . 1 1 6 6 CYS HB3 H . . . . . 4.0 2.3 5.0 . . . . . A . 6 CYS H . . A . 6 CYS HB3 . A* . 6 . HN . . . A* . 6 . HB# . . c25474_2mz6 1 211 2 OR . 1 1 6 6 CYS H H . . . 1 1 6 6 CYS HB2 H . . . . . 4.0 2.3 5.0 . . . . . A . 6 CYS H . . A . 6 CYS HB2 . A* . 6 . HN . . . A* . 6 . HB# . . c25474_2mz6 1 212 1 OR . 1 1 6 6 CYS HA H . . . 1 1 6 6 CYS HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 6 CYS HA . . A . 6 CYS HB3 . A* . 6 . HA . . . A* . 6 . HB# . . c25474_2mz6 1 212 2 OR . 1 1 6 6 CYS HA H . . . 1 1 6 6 CYS HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 6 CYS HA . . A . 6 CYS HB2 . A* . 6 . HA . . . A* . 6 . HB# . . c25474_2mz6 1 213 1 . . 1 1 7 7 TYR H H . . . 1 1 7 7 TYR HA H . . . . . 3.0 1.8 3.5 . . . . . A . 7 TYR H . . A . 7 TYR HA . A* . 7 . HN . . . A* . 7 . HA . . c25474_2mz6 1 214 1 OR . 1 1 7 7 TYR H H . . . 1 1 7 7 TYR HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 7 TYR H . . A . 7 TYR HB3 . A* . 7 . HN . . . A* . 7 . HB# . . c25474_2mz6 1 214 2 OR . 1 1 7 7 TYR H H . . . 1 1 7 7 TYR HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 7 TYR H . . A . 7 TYR HB2 . A* . 7 . HN . . . A* . 7 . HB# . . c25474_2mz6 1 215 1 OR . 1 1 7 7 TYR HA H . . . 1 1 7 7 TYR HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 7 TYR HA . . A . 7 TYR HB3 . A* . 7 . HA . . . A* . 7 . HB# . . c25474_2mz6 1 215 2 OR . 1 1 7 7 TYR HA H . . . 1 1 7 7 TYR HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 7 TYR HA . . A . 7 TYR HB2 . A* . 7 . HA . . . A* . 7 . HB# . . c25474_2mz6 1 216 1 . . 1 1 8 8 CYS H H . . . 1 1 8 8 CYS HA H . . . . . 3.0 1.8 3.5 . . . . . A . 8 CYS H . . A . 8 CYS HA . A* . 8 . HN . . . A* . 8 . HA . . c25474_2mz6 1 217 1 . . 1 1 8 8 CYS H H . . . 1 1 8 8 CYS HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 8 CYS H . . A . 8 CYS HB3 . A* . 8 . HN . . . A* . 8 . HB1 . . c25474_2mz6 1 218 1 . . 1 1 8 8 CYS H H . . . 1 1 8 8 CYS HB2 H . . . . . 4.0 2.3 5.0 . . . . . A . 8 CYS H . . A . 8 CYS HB2 . A* . 8 . HN . . . A* . 8 . HB2 . . c25474_2mz6 1 219 1 . . 1 1 8 8 CYS HA H . . . 1 1 8 8 CYS HB3 H . . . . . 4.0 2.3 5.0 . . . . . A . 8 CYS HA . . A . 8 CYS HB3 . A* . 8 . HA . . . A* . 8 . HB1 . . c25474_2mz6 1 220 1 . . 1 1 8 8 CYS HA H . . . 1 1 8 8 CYS HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 8 CYS HA . . A . 8 CYS HB2 . A* . 8 . HA . . . A* . 8 . HB2 . . c25474_2mz6 1 221 1 . . 1 1 9 9 ARG H H . . . 1 1 9 9 ARG HA H . . . . . 3.0 1.8 3.5 . . . . . A . 9 ARG H . . A . 9 ARG HA . A* . 9 . HN . . . A* . 9 . HA . . c25474_2mz6 1 222 1 . . 1 1 9 9 ARG H H . . . 1 1 9 9 ARG HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 9 ARG H . . A . 9 ARG HB3 . A* . 9 . HN . . . A* . 9 . HB1 . . c25474_2mz6 1 223 1 . . 1 1 9 9 ARG H H . . . 1 1 9 9 ARG HB2 H . . . . . 2.5 1.8 2.7 . . . . . A . 9 ARG H . . A . 9 ARG HB2 . A* . 9 . HN . . . A* . 9 . HB2 . . c25474_2mz6 1 224 1 . . 1 1 9 9 ARG HA H . . . 1 1 9 9 ARG HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 9 ARG HA . . A . 9 ARG HB3 . A* . 9 . HA . . . A* . 9 . HB1 . . c25474_2mz6 1 225 1 . . 1 1 9 9 ARG HA H . . . 1 1 9 9 ARG HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 9 ARG HA . . A . 9 ARG HB2 . A* . 9 . HA . . . A* . 9 . HB2 . . c25474_2mz6 1 226 1 . . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HA H . . . . . 2.5 1.8 2.7 . . . . . A . 10 ARG H . . A . 10 ARG HA . A* . 10 . HN . . . A* . 10 . HA . . c25474_2mz6 1 227 1 OR . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 10 ARG H . . A . 10 ARG HB2 . A* . 10 . HN . . . A* . 10 . HB# . . c25474_2mz6 1 227 2 OR . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 10 ARG H . . A . 10 ARG HB3 . A* . 10 . HN . . . A* . 10 . HB# . . c25474_2mz6 1 228 1 OR . 1 1 10 10 ARG HA H . . . 1 1 10 10 ARG HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 10 ARG HA . . A . 10 ARG HB2 . A* . 10 . HA . . . A* . 10 . HB# . . c25474_2mz6 1 228 2 OR . 1 1 10 10 ARG HA H . . . 1 1 10 10 ARG HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 10 ARG HA . . A . 10 ARG HB3 . A* . 10 . HA . . . A* . 10 . HB# . . c25474_2mz6 1 229 1 . . 1 1 11 11 ARG H H . . . 1 1 11 11 ARG HA H . . . . . 3.0 1.8 3.5 . . . . . A . 11 ARG H . . A . 11 ARG HA . A* . 11 . HN . . . A* . 11 . HA . . c25474_2mz6 1 230 1 OR . 1 1 11 11 ARG H H . . . 1 1 11 11 ARG HB2 H . . . . . 2.5 1.8 2.7 . . . . . A . 11 ARG H . . A . 11 ARG HB2 . A* . 11 . HN . . . A* . 11 . HB# . . c25474_2mz6 1 230 2 OR . 1 1 11 11 ARG H H . . . 1 1 11 11 ARG HB3 H . . . . . 2.5 1.8 2.7 . . . . . A . 11 ARG H . . A . 11 ARG HB3 . A* . 11 . HN . . . A* . 11 . HB# . . c25474_2mz6 1 231 1 OR . 1 1 11 11 ARG HA H . . . 1 1 11 11 ARG HB2 H . . . . . 2.5 1.8 2.7 . . . . . A . 11 ARG HA . . A . 11 ARG HB2 . A* . 11 . HA . . . A* . 11 . HB# . . c25474_2mz6 1 231 2 OR . 1 1 11 11 ARG HA H . . . 1 1 11 11 ARG HB3 H . . . . . 2.5 1.8 2.7 . . . . . A . 11 ARG HA . . A . 11 ARG HB3 . A* . 11 . HA . . . A* . 11 . HB# . . c25474_2mz6 1 232 1 . . 1 1 12 12 PHE H H . . . 1 1 12 12 PHE HA H . . . . . 3.0 1.8 3.5 . . . . . A . 12 PHE H . . A . 12 PHE HA . A* . 12 . HN . . . A* . 12 . HA . . c25474_2mz6 1 233 1 . . 1 1 12 12 PHE H H . . . 1 1 12 12 PHE HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 12 PHE H . . A . 12 PHE HB3 . A* . 12 . HN . . . A* . 12 . HB1 . . c25474_2mz6 1 234 1 . . 1 1 12 12 PHE H H . . . 1 1 12 12 PHE HB2 H . . . . . 4.0 2.3 5.0 . . . . . A . 12 PHE H . . A . 12 PHE HB2 . A* . 12 . HN . . . A* . 12 . HB2 . . c25474_2mz6 1 235 1 . . 1 1 12 12 PHE HA H . . . 1 1 12 12 PHE HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 12 PHE HA . . A . 12 PHE HB3 . A* . 12 . HA . . . A* . 12 . HB1 . . c25474_2mz6 1 236 1 . . 1 1 12 12 PHE HA H . . . 1 1 12 12 PHE HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 12 PHE HA . . A . 12 PHE HB2 . A* . 12 . HA . . . A* . 12 . HB2 . . c25474_2mz6 1 237 1 . . 1 1 13 13 CYS H H . . . 1 1 13 13 CYS HA H . . . . . 3.0 1.8 3.5 . . . . . A . 13 CYS H . . A . 13 CYS HA . A* . 13 . HN . . . A* . 13 . HA . . c25474_2mz6 1 238 1 . . 1 1 13 13 CYS H H . . . 1 1 13 13 CYS HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 13 CYS H . . A . 13 CYS HB3 . A* . 13 . HN . . . A* . 13 . HB1 . . c25474_2mz6 1 239 1 . . 1 1 13 13 CYS H H . . . 1 1 13 13 CYS HB2 H . . . . . 2.5 1.8 2.7 . . . . . A . 13 CYS H . . A . 13 CYS HB2 . A* . 13 . HN . . . A* . 13 . HB2 . . c25474_2mz6 1 240 1 . . 1 1 13 13 CYS HA H . . . 1 1 13 13 CYS HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 13 CYS HA . . A . 13 CYS HB3 . A* . 13 . HA . . . A* . 13 . HB1 . . c25474_2mz6 1 241 1 . . 1 1 13 13 CYS HA H . . . 1 1 13 13 CYS HB2 H . . . . . 2.5 1.8 2.7 . . . . . A . 13 CYS HA . . A . 13 CYS HB2 . A* . 13 . HA . . . A* . 13 . HB2 . . c25474_2mz6 1 242 1 . . 1 1 14 14 VAL H H . . . 1 1 14 14 VAL HA H . . . . . 3.0 1.8 3.5 . . . . . A . 14 VAL H . . A . 14 VAL HA . A* . 14 . HN . . . A* . 14 . HA . . c25474_2mz6 1 243 1 . . 1 1 14 14 VAL H H . . . 1 1 14 14 VAL HB H . . . . . 3.0 1.8 3.5 . . . . . A . 14 VAL H . . A . 14 VAL HB . A* . 14 . HN . . . A* . 14 . HB . . c25474_2mz6 1 244 1 . . 1 1 14 14 VAL HA H . . . 1 1 14 14 VAL HB H . . . . . 2.5 1.8 2.7 . . . . . A . 14 VAL HA . . A . 14 VAL HB . A* . 14 . HA . . . A* . 14 . HB . . c25474_2mz6 1 245 1 . . 1 1 15 15 CYS H H . . . 1 1 15 15 CYS HA H . . . . . 3.0 1.8 3.5 . . . . . A . 15 CYS H . . A . 15 CYS HA . A* . 15 . HN . . . A* . 15 . HA . . c25474_2mz6 1 246 1 . . 1 1 15 15 CYS H H . . . 1 1 15 15 CYS HB3 H . . . . . 3.0 1.8 4.0 . . . . . A . 15 CYS H . . A . 15 CYS HB3 . A* . 15 . HN . . . A* . 15 . HB1 . . c25474_2mz6 1 247 1 . . 1 1 15 15 CYS H H . . . 1 1 15 15 CYS HB2 H . . . . . 2.5 1.8 2.7 . . . . . A . 15 CYS H . . A . 15 CYS HB2 . A* . 15 . HN . . . A* . 15 . HB2 . . c25474_2mz6 1 248 1 . . 1 1 15 15 CYS HA H . . . 1 1 15 15 CYS HB3 H . . . . . 2.5 1.8 2.7 . . . . . A . 15 CYS HA . . A . 15 CYS HB3 . A* . 15 . HA . . . A* . 15 . HB1 . . c25474_2mz6 1 249 1 . . 1 1 15 15 CYS HA H . . . 1 1 15 15 CYS HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 15 CYS HA . . A . 15 CYS HB2 . A* . 15 . HA . . . A* . 15 . HB2 . . c25474_2mz6 1 250 1 . . 1 1 16 16 VAL H H . . . 1 1 16 16 VAL HA H . . . . . 3.0 1.8 3.5 . . . . . A . 16 VAL H . . A . 16 VAL HA . A* . 16 . HN . . . A* . 16 . HA . . c25474_2mz6 1 251 1 . . 1 1 16 16 VAL H H . . . 1 1 16 16 VAL HB H . . . . . 3.0 1.8 4.0 . . . . . A . 16 VAL H . . A . 16 VAL HB . A* . 16 . HN . . . A* . 16 . HB . . c25474_2mz6 1 252 1 . . 1 1 16 16 VAL HA H . . . 1 1 16 16 VAL HB H . . . . . 2.5 1.8 2.7 . . . . . A . 16 VAL HA . . A . 16 VAL HB . A* . 16 . HA . . . A* . 16 . HB . . c25474_2mz6 1 253 1 OR . 1 1 17 17 GLY H H . . . 1 1 17 17 GLY HA2 H . . . . . 2.5 1.8 2.7 . . . . . A . 17 GLY H . . A . 17 GLY HA2 . A* . 17 . HN . . . A* . 17 . HA# . . c25474_2mz6 1 253 2 OR . 1 1 17 17 GLY H H . . . 1 1 17 17 GLY HA3 H . . . . . 2.5 1.8 2.7 . . . . . A . 17 GLY H . . A . 17 GLY HA3 . A* . 17 . HN . . . A* . 17 . HA# . . c25474_2mz6 1 254 1 . . 1 1 18 18 ARG H H . . . 1 1 18 18 ARG HA H . . . . . 3.0 1.8 3.5 . . . . . A . 18 ARG H . . A . 18 ARG HA . A* . 18 . HN . . . A* . 18 . HA . . c25474_2mz6 1 255 1 OR . 1 1 18 18 ARG H H . . . 1 1 18 18 ARG HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 18 ARG H . . A . 18 ARG HB2 . A* . 18 . HN . . . A* . 18 . HB# . . c25474_2mz6 1 255 2 OR . 1 1 18 18 ARG H H . . . 1 1 18 18 ARG HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 18 ARG H . . A . 18 ARG HB3 . A* . 18 . HN . . . A* . 18 . HB# . . c25474_2mz6 1 256 1 OR . 1 1 18 18 ARG HA H . . . 1 1 18 18 ARG HB2 H . . . . . 2.5 1.8 2.7 . . . . . A . 18 ARG HA . . A . 18 ARG HB2 . A* . 18 . HA . . . A* . 18 . HB# . . c25474_2mz6 1 256 2 OR . 1 1 18 18 ARG HB3 H . . . 1 1 18 18 ARG HA H . . . . . 2.5 1.8 2.7 . . . . . A . 18 ARG HB3 . . A . 18 ARG HA . A* . 18 . HB# . . . A* . 18 . HA . . c25474_2mz6 1 257 1 OR . 2 1 1 1 ARG HA H . . . 2 1 1 1 ARG HB2 H . . . . . 3.0 1.8 3.5 . . . . . B . 1 ARG HA . . B . 1 ARG HB2 . B* . 1 . HA . . . B* . 1 . HB# . . c25474_2mz6 1 257 2 OR . 2 1 1 1 ARG HB3 H . . . 2 1 1 1 ARG HA H . . . . . 3.0 1.8 3.5 . . . . . B . 1 ARG HB3 . . B . 1 ARG HA . B* . 1 . HB# . . . B* . 1 . HA . . c25474_2mz6 1 258 1 OR . 2 1 2 2 GLY H H . . . 2 1 2 2 GLY HA2 H . . . . . 2.5 1.8 2.7 . . . . . B . 2 GLY H . . B . 2 GLY HA2 . B* . 2 . HN . . . B* . 2 . HA# . . c25474_2mz6 1 258 2 OR . 2 1 2 2 GLY HA3 H . . . 2 1 2 2 GLY H H . . . . . 2.5 1.8 2.7 . . . . . B . 2 GLY HA3 . . B . 2 GLY H . B* . 2 . HA# . . . B* . 2 . HN . . c25474_2mz6 1 259 1 OR . 2 1 3 3 GLY H H . . . 2 1 3 3 GLY HA2 H . . . . . 2.5 1.8 2.7 . . . . . B . 3 GLY H . . B . 3 GLY HA2 . B* . 3 . HN . . . B* . 3 . HA# . . c25474_2mz6 1 259 2 OR . 2 1 3 3 GLY H H . . . 2 1 3 3 GLY HA3 H . . . . . 2.5 1.8 2.7 . . . . . B . 3 GLY H . . B . 3 GLY HA3 . B* . 3 . HN . . . B* . 3 . HA# . . c25474_2mz6 1 260 1 OR . 2 1 4 4 GLY H H . . . 2 1 4 4 GLY HA2 H . . . . . 2.5 1.8 2.7 . . . . . B . 4 GLY H . . B . 4 GLY HA2 . B* . 4 . HN . . . B* . 4 . HA# . . c25474_2mz6 1 260 2 OR . 2 1 4 4 GLY H H . . . 2 1 4 4 GLY HA3 H . . . . . 2.5 1.8 2.7 . . . . . B . 4 GLY H . . B . 4 GLY HA3 . B* . 4 . HN . . . B* . 4 . HA# . . c25474_2mz6 1 261 1 . . 2 1 5 5 LEU H H . . . 2 1 5 5 LEU HA H . . . . . 3.0 1.8 3.5 . . . . . B . 5 LEU H . . B . 5 LEU HA . B* . 5 . HN . . . B* . 5 . HA . . c25474_2mz6 1 262 1 OR . 2 1 5 5 LEU H H . . . 2 1 5 5 LEU HB2 H . . . . . 3.0 1.8 3.5 . . . . . B . 5 LEU H . . B . 5 LEU HB2 . B* . 5 . HN . . . B* . 5 . HB# . . c25474_2mz6 1 262 2 OR . 2 1 5 5 LEU H H . . . 2 1 5 5 LEU HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 5 LEU H . . B . 5 LEU HB3 . B* . 5 . HN . . . B* . 5 . HB# . . c25474_2mz6 1 263 1 OR . 2 1 5 5 LEU HA H . . . 2 1 5 5 LEU HB2 H . . . . . 4.0 2.3 5.0 . . . . . B . 5 LEU HA . . B . 5 LEU HB2 . B* . 5 . HA . . . B* . 5 . HB# . . c25474_2mz6 1 263 2 OR . 2 1 5 5 LEU HB3 H . . . 2 1 5 5 LEU HA H . . . . . 4.0 2.3 5.0 . . . . . B . 5 LEU HB3 . . B . 5 LEU HA . B* . 5 . HB# . . . B* . 5 . HA . . c25474_2mz6 1 264 1 . . 2 1 6 6 CYS HA H . . . 2 1 6 6 CYS H H . . . . . 4.0 2.3 5.0 . . . . . B . 6 CYS HA . . B . 6 CYS H . B* . 6 . HA . . . B* . 6 . HN . . c25474_2mz6 1 265 1 OR . 2 1 6 6 CYS H H . . . 2 1 6 6 CYS HB3 H . . . . . 4.0 2.3 5.0 . . . . . B . 6 CYS H . . B . 6 CYS HB3 . B* . 6 . HN . . . B* . 6 . HB# . . c25474_2mz6 1 265 2 OR . 2 1 6 6 CYS H H . . . 2 1 6 6 CYS HB2 H . . . . . 4.0 2.3 5.0 . . . . . B . 6 CYS H . . B . 6 CYS HB2 . B* . 6 . HN . . . B* . 6 . HB# . . c25474_2mz6 1 266 1 OR . 2 1 6 6 CYS HA H . . . 2 1 6 6 CYS HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 6 CYS HA . . B . 6 CYS HB3 . B* . 6 . HA . . . B* . 6 . HB# . . c25474_2mz6 1 266 2 OR . 2 1 6 6 CYS HA H . . . 2 1 6 6 CYS HB2 H . . . . . 3.0 1.8 3.5 . . . . . B . 6 CYS HA . . B . 6 CYS HB2 . B* . 6 . HA . . . B* . 6 . HB# . . c25474_2mz6 1 267 1 . . 2 1 7 7 TYR H H . . . 2 1 7 7 TYR HA H . . . . . 3.0 1.8 3.5 . . . . . B . 7 TYR H . . B . 7 TYR HA . B* . 7 . HN . . . B* . 7 . HA . . c25474_2mz6 1 268 1 OR . 2 1 7 7 TYR H H . . . 2 1 7 7 TYR HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 7 TYR H . . B . 7 TYR HB3 . B* . 7 . HN . . . B* . 7 . HB# . . c25474_2mz6 1 268 2 OR . 2 1 7 7 TYR H H . . . 2 1 7 7 TYR HB2 H . . . . . 3.0 1.8 3.5 . . . . . B . 7 TYR H . . B . 7 TYR HB2 . B* . 7 . HN . . . B* . 7 . HB# . . c25474_2mz6 1 269 1 OR . 2 1 7 7 TYR HA H . . . 2 1 7 7 TYR HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 7 TYR HA . . B . 7 TYR HB3 . B* . 7 . HA . . . B* . 7 . HB# . . c25474_2mz6 1 269 2 OR . 2 1 7 7 TYR HA H . . . 2 1 7 7 TYR HB2 H . . . . . 3.0 1.8 3.5 . . . . . B . 7 TYR HA . . B . 7 TYR HB2 . B* . 7 . HA . . . B* . 7 . HB# . . c25474_2mz6 1 270 1 . . 2 1 8 8 CYS H H . . . 2 1 8 8 CYS HA H . . . . . 3.0 1.8 3.5 . . . . . B . 8 CYS H . . B . 8 CYS HA . B* . 8 . HN . . . B* . 8 . HA . . c25474_2mz6 1 271 1 . . 2 1 8 8 CYS H H . . . 2 1 8 8 CYS HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 8 CYS H . . B . 8 CYS HB3 . B* . 8 . HN . . . B* . 8 . HB1 . . c25474_2mz6 1 272 1 . . 2 1 8 8 CYS H H . . . 2 1 8 8 CYS HB2 H . . . . . 4.0 2.3 5.0 . . . . . B . 8 CYS H . . B . 8 CYS HB2 . B* . 8 . HN . . . B* . 8 . HB2 . . c25474_2mz6 1 273 1 . . 2 1 8 8 CYS HA H . . . 2 1 8 8 CYS HB3 H . . . . . 4.0 2.3 5.0 . . . . . B . 8 CYS HA . . B . 8 CYS HB3 . B* . 8 . HA . . . B* . 8 . HB1 . . c25474_2mz6 1 274 1 . . 2 1 8 8 CYS HA H . . . 2 1 8 8 CYS HB2 H . . . . . 3.0 1.8 3.5 . . . . . B . 8 CYS HA . . B . 8 CYS HB2 . B* . 8 . HA . . . B* . 8 . HB2 . . c25474_2mz6 1 275 1 . . 2 1 9 9 ARG H H . . . 2 1 9 9 ARG HA H . . . . . 3.0 1.8 3.5 . . . . . B . 9 ARG H . . B . 9 ARG HA . B* . 9 . HN . . . B* . 9 . HA . . c25474_2mz6 1 276 1 . . 2 1 9 9 ARG H H . . . 2 1 9 9 ARG HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 9 ARG H . . B . 9 ARG HB3 . B* . 9 . HN . . . B* . 9 . HB1 . . c25474_2mz6 1 277 1 . . 2 1 9 9 ARG H H . . . 2 1 9 9 ARG HB2 H . . . . . 2.5 1.8 2.7 . . . . . B . 9 ARG H . . B . 9 ARG HB2 . B* . 9 . HN . . . B* . 9 . HB2 . . c25474_2mz6 1 278 1 . . 2 1 9 9 ARG HA H . . . 2 1 9 9 ARG HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 9 ARG HA . . B . 9 ARG HB3 . B* . 9 . HA . . . B* . 9 . HB1 . . c25474_2mz6 1 279 1 . . 2 1 9 9 ARG HA H . . . 2 1 9 9 ARG HB2 H . . . . . 3.0 1.8 3.5 . . . . . B . 9 ARG HA . . B . 9 ARG HB2 . B* . 9 . HA . . . B* . 9 . HB2 . . c25474_2mz6 1 280 1 . . 2 1 10 10 ARG H H . . . 2 1 10 10 ARG HA H . . . . . 2.5 1.8 2.7 . . . . . B . 10 ARG H . . B . 10 ARG HA . B* . 10 . HN . . . B* . 10 . HA . . c25474_2mz6 1 281 1 OR . 2 1 10 10 ARG H H . . . 2 1 10 10 ARG HB2 H . . . . . 3.0 1.8 3.5 . . . . . B . 10 ARG H . . B . 10 ARG HB2 . B* . 10 . HN . . . B* . 10 . HB# . . c25474_2mz6 1 281 2 OR . 2 1 10 10 ARG H H . . . 2 1 10 10 ARG HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 10 ARG H . . B . 10 ARG HB3 . B* . 10 . HN . . . B* . 10 . HB# . . c25474_2mz6 1 282 1 OR . 2 1 10 10 ARG HA H . . . 2 1 10 10 ARG HB2 H . . . . . 3.0 1.8 3.5 . . . . . B . 10 ARG HA . . B . 10 ARG HB2 . B* . 10 . HA . . . B* . 10 . HB# . . c25474_2mz6 1 282 2 OR . 2 1 10 10 ARG HA H . . . 2 1 10 10 ARG HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 10 ARG HA . . B . 10 ARG HB3 . B* . 10 . HA . . . B* . 10 . HB# . . c25474_2mz6 1 283 1 . . 2 1 11 11 ARG H H . . . 2 1 11 11 ARG HA H . . . . . 3.0 1.8 3.5 . . . . . B . 11 ARG H . . B . 11 ARG HA . B* . 11 . HN . . . B* . 11 . HA . . c25474_2mz6 1 284 1 OR . 2 1 11 11 ARG H H . . . 2 1 11 11 ARG HB2 H . . . . . 2.5 1.8 2.7 . . . . . B . 11 ARG H . . B . 11 ARG HB2 . B* . 11 . HN . . . B* . 11 . HB# . . c25474_2mz6 1 284 2 OR . 2 1 11 11 ARG H H . . . 2 1 11 11 ARG HB3 H . . . . . 2.5 1.8 2.7 . . . . . B . 11 ARG H . . B . 11 ARG HB3 . B* . 11 . HN . . . B* . 11 . HB# . . c25474_2mz6 1 285 1 OR . 2 1 11 11 ARG HA H . . . 2 1 11 11 ARG HB2 H . . . . . 2.5 1.8 2.7 . . . . . B . 11 ARG HA . . B . 11 ARG HB2 . B* . 11 . HA . . . B* . 11 . HB# . . c25474_2mz6 1 285 2 OR . 2 1 11 11 ARG HA H . . . 2 1 11 11 ARG HB3 H . . . . . 2.5 1.8 2.7 . . . . . B . 11 ARG HA . . B . 11 ARG HB3 . B* . 11 . HA . . . B* . 11 . HB# . . c25474_2mz6 1 286 1 . . 2 1 12 12 PHE H H . . . 2 1 12 12 PHE HA H . . . . . 3.0 1.8 3.5 . . . . . B . 12 PHE H . . B . 12 PHE HA . B* . 12 . HN . . . B* . 12 . HA . . c25474_2mz6 1 287 1 . . 2 1 12 12 PHE H H . . . 2 1 12 12 PHE HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 12 PHE H . . B . 12 PHE HB3 . B* . 12 . HN . . . B* . 12 . HB1 . . c25474_2mz6 1 288 1 . . 2 1 12 12 PHE H H . . . 2 1 12 12 PHE HB2 H . . . . . 4.0 2.3 5.0 . . . . . B . 12 PHE H . . B . 12 PHE HB2 . B* . 12 . HN . . . B* . 12 . HB2 . . c25474_2mz6 1 289 1 . . 2 1 12 12 PHE HA H . . . 2 1 12 12 PHE HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 12 PHE HA . . B . 12 PHE HB3 . B* . 12 . HA . . . B* . 12 . HB1 . . c25474_2mz6 1 290 1 . . 2 1 12 12 PHE HA H . . . 2 1 12 12 PHE HB2 H . . . . . 3.0 1.8 3.5 . . . . . B . 12 PHE HA . . B . 12 PHE HB2 . B* . 12 . HA . . . B* . 12 . HB2 . . c25474_2mz6 1 291 1 . . 2 1 13 13 CYS H H . . . 2 1 13 13 CYS HA H . . . . . 3.0 1.8 3.5 . . . . . B . 13 CYS H . . B . 13 CYS HA . B* . 13 . HN . . . B* . 13 . HA . . c25474_2mz6 1 292 1 . . 2 1 13 13 CYS H H . . . 2 1 13 13 CYS HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 13 CYS H . . B . 13 CYS HB3 . B* . 13 . HN . . . B* . 13 . HB1 . . c25474_2mz6 1 293 1 . . 2 1 13 13 CYS H H . . . 2 1 13 13 CYS HB2 H . . . . . 2.5 1.8 2.7 . . . . . B . 13 CYS H . . B . 13 CYS HB2 . B* . 13 . HN . . . B* . 13 . HB2 . . c25474_2mz6 1 294 1 . . 2 1 13 13 CYS HA H . . . 2 1 13 13 CYS HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 13 CYS HA . . B . 13 CYS HB3 . B* . 13 . HA . . . B* . 13 . HB1 . . c25474_2mz6 1 295 1 . . 2 1 13 13 CYS HA H . . . 2 1 13 13 CYS HB2 H . . . . . 2.5 1.8 2.7 . . . . . B . 13 CYS HA . . B . 13 CYS HB2 . B* . 13 . HA . . . B* . 13 . HB2 . . c25474_2mz6 1 296 1 . . 2 1 14 14 VAL H H . . . 2 1 14 14 VAL HA H . . . . . 3.0 1.8 3.5 . . . . . B . 14 VAL H . . B . 14 VAL HA . B* . 14 . HN . . . B* . 14 . HA . . c25474_2mz6 1 297 1 . . 2 1 14 14 VAL H H . . . 2 1 14 14 VAL HB H . . . . . 3.0 1.8 3.5 . . . . . B . 14 VAL H . . B . 14 VAL HB . B* . 14 . HN . . . B* . 14 . HB . . c25474_2mz6 1 298 1 . . 2 1 14 14 VAL HA H . . . 2 1 14 14 VAL HB H . . . . . 2.5 1.8 2.7 . . . . . B . 14 VAL HA . . B . 14 VAL HB . B* . 14 . HA . . . B* . 14 . HB . . c25474_2mz6 1 299 1 . . 2 1 15 15 CYS H H . . . 2 1 15 15 CYS HA H . . . . . 3.0 1.8 3.5 . . . . . B . 15 CYS H . . B . 15 CYS HA . B* . 15 . HN . . . B* . 15 . HA . . c25474_2mz6 1 300 1 . . 2 1 15 15 CYS H H . . . 2 1 15 15 CYS HB3 H . . . . . 3.0 1.8 4.0 . . . . . B . 15 CYS H . . B . 15 CYS HB3 . B* . 15 . HN . . . B* . 15 . HB1 . . c25474_2mz6 1 301 1 . . 2 1 15 15 CYS H H . . . 2 1 15 15 CYS HB2 H . . . . . 2.5 1.8 2.7 . . . . . B . 15 CYS H . . B . 15 CYS HB2 . B* . 15 . HN . . . B* . 15 . HB2 . . c25474_2mz6 1 302 1 . . 2 1 15 15 CYS HA H . . . 2 1 15 15 CYS HB3 H . . . . . 2.5 1.8 2.7 . . . . . B . 15 CYS HA . . B . 15 CYS HB3 . B* . 15 . HA . . . B* . 15 . HB1 . . c25474_2mz6 1 303 1 . . 2 1 15 15 CYS HA H . . . 2 1 15 15 CYS HB2 H . . . . . 3.0 1.8 3.5 . . . . . B . 15 CYS HA . . B . 15 CYS HB2 . B* . 15 . HA . . . B* . 15 . HB2 . . c25474_2mz6 1 304 1 . . 2 1 16 16 VAL H H . . . 2 1 16 16 VAL HA H . . . . . 3.0 1.8 3.5 . . . . . B . 16 VAL H . . B . 16 VAL HA . B* . 16 . HN . . . B* . 16 . HA . . c25474_2mz6 1 305 1 . . 2 1 16 16 VAL H H . . . 2 1 16 16 VAL HB H . . . . . 3.0 1.8 4.0 . . . . . B . 16 VAL H . . B . 16 VAL HB . B* . 16 . HN . . . B* . 16 . HB . . c25474_2mz6 1 306 1 . . 2 1 16 16 VAL HA H . . . 2 1 16 16 VAL HB H . . . . . 2.5 1.8 2.7 . . . . . B . 16 VAL HA . . B . 16 VAL HB . B* . 16 . HA . . . B* . 16 . HB . . c25474_2mz6 1 307 1 OR . 2 1 17 17 GLY H H . . . 2 1 17 17 GLY HA2 H . . . . . 2.5 1.8 2.7 . . . . . B . 17 GLY H . . B . 17 GLY HA2 . B* . 17 . HN . . . B* . 17 . HA# . . c25474_2mz6 1 307 2 OR . 2 1 17 17 GLY H H . . . 2 1 17 17 GLY HA3 H . . . . . 2.5 1.8 2.7 . . . . . B . 17 GLY H . . B . 17 GLY HA3 . B* . 17 . HN . . . B* . 17 . HA# . . c25474_2mz6 1 308 1 . . 2 1 18 18 ARG H H . . . 2 1 18 18 ARG HA H . . . . . 3.0 1.8 3.5 . . . . . B . 18 ARG H . . B . 18 ARG HA . B* . 18 . HN . . . B* . 18 . HA . . c25474_2mz6 1 309 1 OR . 2 1 18 18 ARG H H . . . 2 1 18 18 ARG HB2 H . . . . . 3.0 1.8 3.5 . . . . . B . 18 ARG H . . B . 18 ARG HB2 . B* . 18 . HN . . . B* . 18 . HB# . . c25474_2mz6 1 309 2 OR . 2 1 18 18 ARG H H . . . 2 1 18 18 ARG HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 18 ARG H . . B . 18 ARG HB3 . B* . 18 . HN . . . B* . 18 . HB# . . c25474_2mz6 1 310 1 OR . 2 1 18 18 ARG HA H . . . 2 1 18 18 ARG HB2 H . . . . . 2.5 1.8 2.7 . . . . . B . 18 ARG HA . . B . 18 ARG HB2 . B* . 18 . HA . . . B* . 18 . HB# . . c25474_2mz6 1 310 2 OR . 2 1 18 18 ARG HB3 H . . . 2 1 18 18 ARG HA H . . . . . 2.5 1.8 2.7 . . . . . B . 18 ARG HB3 . . B . 18 ARG HA . B* . 18 . HB# . . . B* . 18 . HA . . c25474_2mz6 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 ; A INTRAMONOMER NOES A.1.1 short range interresidue (|i - j| <= 5) NOEs: intramonomer A CaH(i)-NH(i+1) ; 1 1 3 17 c25474_2mz6 1 2 'NH(i)-NH(i+1) NOEs' 34 1 34 20 c25474_2mz6 1 3 CbH(i)-NH(i+1) 63 1 63 16 c25474_2mz6 1 4 ; NH(i)-NH(i+2) NH(i)-NH(i+3) ; 90 1 91 15 c25474_2mz6 1 5 ; NH(i)-NH(i+4) CaH(i)-NH(i+2) ; 94 1 95 16 c25474_2mz6 1 6 ; CaH(i)-NH(i+3) CaH(i)-NH(i+4) CbH(i)-NH(i+2) ; 98 1 100 16 c25474_2mz6 1 7 ; CbH(i)-NH(i+3) Tyr-7 HD# ; 103 1 104 11 c25474_2mz6 1 8 'Tyr-7 HE#' 115 1 115 11 c25474_2mz6 1 9 'Phe-12 HD#' 120 1 120 12 c25474_2mz6 1 10 'Phe-12 HE#' 127 1 127 12 c25474_2mz6 1 11 'Arg-1 HD#' 134 1 134 11 c25474_2mz6 1 12 'Arg-1 HG1' 137 1 137 11 c25474_2mz6 1 13 'Gly-2 NH' 140 1 140 10 c25474_2mz6 1 14 'Gly-3 NH' 143 1 143 10 c25474_2mz6 1 15 'Gly-4 CaH#' 146 1 146 12 c25474_2mz6 1 16 'Leu-5 HN' 153 1 153 10 c25474_2mz6 1 17 'Leu-5 HD1#' 156 1 156 12 c25474_2mz6 1 18 'Leu-5 HD2#' 159 1 159 12 c25474_2mz6 1 19 'Leu-5 HG#' 162 1 162 11 c25474_2mz6 1 20 'Cys-6 HN' 165 1 165 10 c25474_2mz6 1 21 'Cys-8 CaH' 168 1 168 11 c25474_2mz6 1 22 'Cys-8 CbH' 171 1 171 11 c25474_2mz6 1 23 'Arg-9 CaH' 176 1 176 11 c25474_2mz6 1 24 'Arg-9 CbH#' 179 1 179 12 c25474_2mz6 1 25 'Arg-10 HA' 182 1 182 11 c25474_2mz6 1 26 'Arg-10 HG1' 185 1 185 12 c25474_2mz6 1 27 'Arg-10 HD#' 190 1 190 12 c25474_2mz6 1 28 'Arg-11 HN' 193 1 193 11 c25474_2mz6 1 29 'Arg-11 HG1' 198 1 198 12 c25474_2mz6 1 30 'Arg-11 HG2' 201 1 201 12 c25474_2mz6 1 31 'Cys-13 HN' 204 1 204 11 c25474_2mz6 1 32 'Cys-13 HA' 207 1 207 11 c25474_2mz6 1 33 'Cys-13 HB1' 212 1 212 12 c25474_2mz6 1 34 'Val-14 HB#' 215 1 215 12 c25474_2mz6 1 35 'Val-14 HG1#' 218 1 218 13 c25474_2mz6 1 36 'Val-14 HG2#' 221 1 221 13 c25474_2mz6 1 37 'Cys-15 HA' 224 1 224 11 c25474_2mz6 1 38 'Cys-15 HB2' 227 1 227 12 c25474_2mz6 1 39 'Val-16 HN' 230 1 230 11 c25474_2mz6 1 40 'Val-16 CaH' 233 1 233 12 c25474_2mz6 1 41 'Val-16 CbH#' 236 1 236 13 c25474_2mz6 1 42 'Val-16 HG#' 239 1 239 12 c25474_2mz6 1 43 'Gly-17 CaH#' 248 1 248 13 c25474_2mz6 1 44 ; A.1.2 short range interresidue (|i - j| <= 5) NOEs: intramonomer B CaH(i)-NH(i+1) ; 253 1 254 17 c25474_2mz6 1 45 'NH(i)-NH(i+1) NOEs' 285 1 285 20 c25474_2mz6 1 46 CbH(i)-NH(i+1) 314 1 314 16 c25474_2mz6 1 47 ; NH(i)-NH(i+2) NH(i)-NH(i+3) ; 341 1 342 15 c25474_2mz6 1 48 ; NH(i)-NH(i+4) CaH(i)-NH(i+2) ; 345 1 346 16 c25474_2mz6 1 49 ; CaH(i)-NH(i+3) CaH(i)-NH(i+4) CbH(i)-NH(i+2) ; 349 1 351 16 c25474_2mz6 1 50 ; CbH(i)-NH(i+3) Tyr-7 HD# ; 354 1 355 11 c25474_2mz6 1 51 'Tyr-7 HE#' 366 1 366 11 c25474_2mz6 1 52 'Phe-12 HD#' 371 1 371 12 c25474_2mz6 1 53 'Phe-12 HE#' 378 1 378 12 c25474_2mz6 1 54 'Arg-1 HD#' 385 1 385 11 c25474_2mz6 1 55 'Arg-1 HG1' 388 1 388 11 c25474_2mz6 1 56 'Gly-2 NH' 391 1 391 10 c25474_2mz6 1 57 'Gly-3 NH' 394 1 394 10 c25474_2mz6 1 58 'Gly-4 CaH#' 397 1 397 12 c25474_2mz6 1 59 'Leu-5 HN' 404 1 404 10 c25474_2mz6 1 60 'Leu-5 HD1#' 407 1 407 12 c25474_2mz6 1 61 'Leu-5 HD2#' 410 1 410 12 c25474_2mz6 1 62 'Leu-5 HG#' 413 1 413 11 c25474_2mz6 1 63 'Cys-6 HN' 416 1 416 10 c25474_2mz6 1 64 'Cys-8 CaH' 419 1 419 11 c25474_2mz6 1 65 'Cys-8 CbH' 422 1 422 11 c25474_2mz6 1 66 'Arg-9 CaH' 427 1 427 11 c25474_2mz6 1 67 'Arg-9 CbH#' 430 1 430 12 c25474_2mz6 1 68 'Arg-10 HA' 433 1 433 11 c25474_2mz6 1 69 'Arg-10 HG1' 436 1 436 12 c25474_2mz6 1 70 'Arg-10 HD#' 441 1 441 12 c25474_2mz6 1 71 'Arg-11 HN' 444 1 444 11 c25474_2mz6 1 72 'Arg-11 HG1' 449 1 449 12 c25474_2mz6 1 73 'Arg-11 HG2' 452 1 452 12 c25474_2mz6 1 74 'Cys-13 HN' 455 1 455 11 c25474_2mz6 1 75 'Cys-13 HA' 458 1 458 11 c25474_2mz6 1 76 'Cys-13 HB1' 463 1 463 12 c25474_2mz6 1 77 'Val-14 HB#' 466 1 466 12 c25474_2mz6 1 78 'Val-14 HG1#' 469 1 469 13 c25474_2mz6 1 79 'Val-14 HG2#' 472 1 472 13 c25474_2mz6 1 80 'Cys-15 HA' 475 1 475 11 c25474_2mz6 1 81 'Cys-15 HB2' 478 1 478 12 c25474_2mz6 1 82 'Val-16 HN' 481 1 481 11 c25474_2mz6 1 83 'Val-16 CaH' 484 1 484 12 c25474_2mz6 1 84 'Val-16 CbH#' 487 1 487 13 c25474_2mz6 1 85 'Val-16 HG#' 490 1 490 12 c25474_2mz6 1 86 'Gly-17 CaH#' 499 1 499 13 c25474_2mz6 1 87 ; A.3.1 Intraresidue: intramonomer A Arg-1 ; 504 1 505 7 c25474_2mz6 1 88 Gly-2 508 1 508 7 c25474_2mz6 1 89 Gly-3 511 1 511 7 c25474_2mz6 1 90 Gly-4 514 1 514 7 c25474_2mz6 1 91 Leu-5 517 1 517 7 c25474_2mz6 1 92 Cys-6 524 1 524 7 c25474_2mz6 1 93 Tyr-7 531 1 531 7 c25474_2mz6 1 94 Cys-8 538 1 538 7 c25474_2mz6 1 95 Arg-9 549 1 549 7 c25474_2mz6 1 96 Arg-10 560 1 560 8 c25474_2mz6 1 97 Arg-11 567 1 567 8 c25474_2mz6 1 98 Phe-12 574 1 574 8 c25474_2mz6 1 99 Cys-13 585 1 585 8 c25474_2mz6 1 100 Val-14 596 1 596 8 c25474_2mz6 1 101 Cys-15 603 1 603 8 c25474_2mz6 1 102 Val-16 614 1 614 8 c25474_2mz6 1 103 Gly-17] 621 1 621 9 c25474_2mz6 1 104 Arg-18 624 1 624 8 c25474_2mz6 1 105 ; A.3.2.Intraresidue: intramonomer B Arg-1 ; 631 1 632 7 c25474_2mz6 1 106 Gly-2 635 1 635 7 c25474_2mz6 1 107 Gly-3 638 1 638 7 c25474_2mz6 1 108 Gly-4 641 1 641 7 c25474_2mz6 1 109 Leu-5 644 1 644 7 c25474_2mz6 1 110 Cys-6 651 1 651 7 c25474_2mz6 1 111 Tyr-7 658 1 658 7 c25474_2mz6 1 112 Cys-8 665 1 665 7 c25474_2mz6 1 113 Arg-9 676 1 676 7 c25474_2mz6 1 114 Arg-10 687 1 687 8 c25474_2mz6 1 115 Arg-11 694 1 694 8 c25474_2mz6 1 116 Phe-12 701 1 701 8 c25474_2mz6 1 117 Cys-13 712 1 712 8 c25474_2mz6 1 118 Val-14 723 1 723 8 c25474_2mz6 1 119 Cys-15 730 1 730 8 c25474_2mz6 1 120 Val-16 741 1 741 8 c25474_2mz6 1 121 Gly-17] 748 1 748 9 c25474_2mz6 1 122 Arg-18 751 1 751 8 c25474_2mz6 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID c25474_2mz6 _Gen_dist_constraint_list.ID 3 _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 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 . . . . c25474_2mz6 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 OR . 1 1 12 12 PHE QD H . . . 2 1 16 16 VAL MG1 H . . . . . 4.0 3.0 7.0 . . . . . A . 12 PHE QD . . B . 16 VAL MG1 . A* . 12 . HD# . . . B* . 16 . HG# . . c25474_2mz6 2 1 2 OR . 1 1 12 12 PHE QD H . . . 2 1 16 16 VAL MG2 H . . . . . 4.0 3.0 7.0 . . . . . A . 12 PHE QD . . B . 16 VAL MG2 . A* . 12 . HD# . . . B* . 16 . HG# . . c25474_2mz6 2 2 1 OR . 2 1 12 12 PHE QD H . . . 1 1 16 16 VAL MG1 H . . . . . 4.0 3.0 7.0 . . . . . B . 12 PHE QD . . A . 16 VAL MG1 . B* . 12 . HD# . . . A* . 16 . HG# . . c25474_2mz6 2 2 2 OR . 1 1 16 16 VAL MG2 H . . . 2 1 12 12 PHE QD H . . . . . 4.0 3.0 7.0 . . . . . A . 16 VAL MG2 . . B . 12 PHE QD . A* . 16 . HG# . . . B* . 12 . HD# . . c25474_2mz6 2 3 1 OR . 1 1 12 12 PHE QE H . . . 2 1 16 16 VAL MG1 H . . . . . 4.0 3.0 7.0 . . . . . A . 12 PHE QE . . B . 16 VAL MG1 . A* . 12 . HE# . . . B* . 16 . HG# . . c25474_2mz6 2 3 2 OR . 1 1 12 12 PHE QE H . . . 2 1 16 16 VAL MG2 H . . . . . 4.0 3.0 7.0 . . . . . A . 12 PHE QE . . B . 16 VAL MG2 . A* . 12 . HE# . . . B* . 16 . HG# . . c25474_2mz6 2 4 1 OR . 2 1 12 12 PHE QE H . . . 1 1 16 16 VAL MG1 H . . . . . 4.0 3.0 7.0 . . . . . B . 12 PHE QE . . A . 16 VAL MG1 . B* . 12 . HE# . . . A* . 16 . HG# . . c25474_2mz6 2 4 2 OR . 1 1 16 16 VAL MG2 H . . . 2 1 12 12 PHE QE H . . . . . 4.0 3.0 7.0 . . . . . A . 16 VAL MG2 . . B . 12 PHE QE . A* . 16 . HG# . . . B* . 12 . HE# . . c25474_2mz6 2 5 1 . . 1 1 12 12 PHE QD H . . . 2 1 16 16 VAL HB H . . . . . 4.0 3.0 7.0 . . . . . A . 12 PHE QD . . B . 16 VAL HB . A* . 12 . HD# . . . B* . 16 . HB . . c25474_2mz6 2 6 1 . . 1 1 16 16 VAL HB H . . . 2 1 12 12 PHE QD H . . . . . 4.0 3.0 7.0 . . . . . A . 16 VAL HB . . B . 12 PHE QD . A* . 16 . HB . . . B* . 12 . HD# . . c25474_2mz6 2 7 1 . . 1 1 12 12 PHE QE H . . . 2 1 16 16 VAL HB H . . . . . 4.0 3.0 7.0 . . . . . A . 12 PHE QE . . B . 16 VAL HB . A* . 12 . HE# . . . B* . 16 . HB . . c25474_2mz6 2 8 1 . . 1 1 16 16 VAL HB H . . . 2 1 12 12 PHE QE H . . . . . 4.0 3.0 7.0 . . . . . A . 16 VAL HB . . B . 12 PHE QE . A* . 16 . HB . . . B* . 12 . HE# . . c25474_2mz6 2 9 1 . . 2 1 15 15 CYS HB2 H . . . 1 1 14 14 VAL MG2 H . . . . . 4.0 3.0 7.0 . . . . . B . 15 CYS HB2 . . A . 14 VAL MG2 . B* . 15 . HB2 . . . A* . 14 . HG2# . . c25474_2mz6 2 10 1 . . 1 1 15 15 CYS HB2 H . . . 2 1 14 14 VAL MG2 H . . . . . 4.0 3.0 7.0 . . . . . A . 15 CYS HB2 . . B . 14 VAL MG2 . A* . 15 . HB2 . . . B* . 14 . HG2# . . c25474_2mz6 2 11 1 OR . 1 1 14 14 VAL HA H . . . 2 1 16 16 VAL MG1 H . . . . . 4.0 3.0 7.0 . . . . . A . 14 VAL HA . . B . 16 VAL MG1 . A* . 14 . HA . . . B* . 16 . HG# . . c25474_2mz6 2 11 2 OR . 1 1 14 14 VAL HA H . . . 2 1 16 16 VAL MG2 H . . . . . 4.0 3.0 7.0 . . . . . A . 14 VAL HA . . B . 16 VAL MG2 . A* . 14 . HA . . . B* . 16 . HG# . . c25474_2mz6 2 12 1 OR . 2 1 14 14 VAL HA H . . . 1 1 16 16 VAL MG1 H . . . . . 4.0 3.0 7.0 . . . . . B . 14 VAL HA . . A . 16 VAL MG1 . B* . 14 . HA . . . A* . 16 . HG# . . c25474_2mz6 2 12 2 OR . 1 1 16 16 VAL MG2 H . . . 2 1 14 14 VAL HA H . . . . . 4.0 3.0 7.0 . . . . . A . 16 VAL MG2 . . B . 14 VAL HA . A* . 16 . HG# . . . B* . 14 . HA . . c25474_2mz6 2 13 1 OR . 2 1 15 15 CYS H H . . . 1 1 16 16 VAL MG1 H . . . . . 4.0 3.0 7.0 . . . . . B . 15 CYS H . . A . 16 VAL MG1 . B* . 15 . HN . . . A* . 16 . HG# . . c25474_2mz6 2 13 2 OR . 1 1 16 16 VAL MG2 H . . . 2 1 15 15 CYS H H . . . . . 4.0 3.0 7.0 . . . . . A . 16 VAL MG2 . . B . 15 CYS H . A* . 16 . HG# . . . B* . 15 . HN . . c25474_2mz6 2 14 1 OR . 1 1 15 15 CYS H H . . . 2 1 16 16 VAL MG1 H . . . . . 4.0 3.0 7.0 . . . . . A . 15 CYS H . . B . 16 VAL MG1 . A* . 15 . HN . . . B* . 16 . HG# . . c25474_2mz6 2 14 2 OR . 1 1 15 15 CYS H H . . . 2 1 16 16 VAL MG2 H . . . . . 4.0 3.0 7.0 . . . . . A . 15 CYS H . . B . 16 VAL MG2 . A* . 15 . HN . . . B* . 16 . HG# . . c25474_2mz6 2 15 1 OR . 1 1 15 15 CYS HB3 H . . . 2 1 16 16 VAL MG1 H . . . . . 4.0 3.0 7.0 . . . . . A . 15 CYS HB3 . . B . 16 VAL MG1 . A* . 15 . HB# . . . B* . 16 . HG# . . c25474_2mz6 2 15 2 OR . 1 1 15 15 CYS HB2 H . . . 2 1 16 16 VAL MG1 H . . . . . 4.0 3.0 7.0 . . . . . A . 15 CYS HB2 . . B . 16 VAL MG1 . A* . 15 . HB# . . . B* . 16 . HG# . . c25474_2mz6 2 15 3 OR . 2 1 16 16 VAL MG2 H . . . 1 1 15 15 CYS HB3 H . . . . . 4.0 3.0 7.0 . . . . . B . 16 VAL MG2 . . A . 15 CYS HB3 . B* . 16 . HG# . . . A* . 15 . HB# . . c25474_2mz6 2 15 4 OR . 1 1 15 15 CYS HB2 H . . . 2 1 16 16 VAL MG2 H . . . . . 4.0 3.0 7.0 . . . . . A . 15 CYS HB2 . . B . 16 VAL MG2 . A* . 15 . HB# . . . B* . 16 . HG# . . c25474_2mz6 2 16 1 OR . 1 1 16 16 VAL MG2 H . . . 2 1 15 15 CYS HB3 H . . . . . 4.0 3.0 7.0 . . . . . A . 16 VAL MG2 . . B . 15 CYS HB3 . A* . 16 . HG# . . . B* . 15 . HB# . . c25474_2mz6 2 16 2 OR . 1 1 16 16 VAL MG1 H . . . 2 1 15 15 CYS HB3 H . . . . . 4.0 3.0 7.0 . . . . . A . 16 VAL MG1 . . B . 15 CYS HB3 . A* . 16 . HG# . . . B* . 15 . HB# . . c25474_2mz6 2 16 3 OR . 2 1 15 15 CYS HB2 H . . . 1 1 16 16 VAL MG1 H . . . . . 4.0 3.0 7.0 . . . . . B . 15 CYS HB2 . . A . 16 VAL MG1 . B* . 15 . HB# . . . A* . 16 . HG# . . c25474_2mz6 2 16 4 OR . 1 1 16 16 VAL MG2 H . . . 2 1 15 15 CYS HB2 H . . . . . 4.0 3.0 7.0 . . . . . A . 16 VAL MG2 . . B . 15 CYS HB2 . A* . 16 . HG# . . . B* . 15 . HB# . . c25474_2mz6 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 ; B.INTERMONOMER NOEs (Dimer contacts) Phe-12 ; 1 1 2 8 c25474_2mz6 2 2 Val-14 20 3 20 10 c25474_2mz6 2 3 Cys-15 31 3 31 10 c25474_2mz6 2 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID c25474_2mz6 _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _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 . . . . c25474_2mz6 3 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 12 12 PHE N N . . . 1 1 9 9 ARG O O . . . . . 2.8 2.4 3.3 . . . . . A . 12 PHE N . . A . 9 ARG O . A* . 12 . N . . . A* . 9 . O . . c25474_2mz6 3 2 1 . . 1 1 9 9 ARG N N . . . 1 1 12 12 PHE O O . . . . . 2.8 2.4 3.3 . . . . . A . 9 ARG N . . A . 12 PHE O . A* . 9 . N . . . A* . 12 . O . . c25474_2mz6 3 3 1 . . 1 1 14 14 VAL N N . . . 1 1 7 7 TYR O O . . . . . 2.8 2.4 3.3 . . . . . A . 14 VAL N . . A . 7 TYR O . A* . 14 . N . . . A* . 7 . O . . c25474_2mz6 3 4 1 . . 1 1 7 7 TYR N N . . . 1 1 14 14 VAL O O . . . . . 2.8 2.4 3.3 . . . . . A . 7 TYR N . . A . 14 VAL O . A* . 7 . N . . . A* . 14 . O . . c25474_2mz6 3 5 1 . . 1 1 16 16 VAL N N . . . 1 1 5 5 LEU O O . . . . . 2.8 2.4 3.3 . . . . . A . 16 VAL N . . A . 5 LEU O . A* . 16 . N . . . A* . 5 . O . . c25474_2mz6 3 6 1 . . 1 1 5 5 LEU N N . . . 1 1 16 16 VAL O O . . . . . 2.8 2.4 3.3 . . . . . A . 5 LEU N . . A . 16 VAL O . A* . 5 . N . . . A* . 16 . O . . c25474_2mz6 3 7 1 . . 1 1 11 11 ARG H H . . . 1 1 9 9 ARG O O . . . . . 2.8 2.4 3.3 . . . . . A . 11 ARG H . . A . 9 ARG O . A* . 11 . HN . . . A* . 9 . O . . c25474_2mz6 3 8 1 . . 1 1 12 12 PHE H H . . . 1 1 9 9 ARG O O . . . . . 1.8 1.5 2.3 . . . . . A . 12 PHE H . . A . 9 ARG O . A* . 12 . HN . . . A* . 9 . O . . c25474_2mz6 3 9 1 . . 1 1 9 9 ARG H H . . . 1 1 12 12 PHE O O . . . . . 1.8 1.5 2.3 . . . . . A . 9 ARG H . . A . 12 PHE O . A* . 9 . HN . . . A* . 12 . O . . c25474_2mz6 3 10 1 . . 1 1 14 14 VAL H H . . . 1 1 7 7 TYR O O . . . . . 1.8 1.5 2.3 . . . . . A . 14 VAL H . . A . 7 TYR O . A* . 14 . HN . . . A* . 7 . O . . c25474_2mz6 3 11 1 . . 1 1 7 7 TYR H H . . . 1 1 14 14 VAL O O . . . . . 1.8 1.5 2.3 . . . . . A . 7 TYR H . . A . 14 VAL O . A* . 7 . HN . . . A* . 14 . O . . c25474_2mz6 3 12 1 . . 1 1 16 16 VAL H H . . . 1 1 5 5 LEU O O . . . . . 1.8 1.5 2.3 . . . . . A . 16 VAL H . . A . 5 LEU O . A* . 16 . HN . . . A* . 5 . O . . c25474_2mz6 3 13 1 . . 1 1 5 5 LEU H H . . . 1 1 16 16 VAL O O . . . . . 1.8 1.5 2.3 . . . . . A . 5 LEU H . . A . 16 VAL O . A* . 5 . HN . . . A* . 16 . O . . c25474_2mz6 3 14 1 . . 2 1 12 12 PHE N N . . . 2 1 9 9 ARG O O . . . . . 2.8 2.4 3.3 . . . . . B . 12 PHE N . . B . 9 ARG O . B* . 12 . N . . . B* . 9 . O . . c25474_2mz6 3 15 1 . . 2 1 9 9 ARG N N . . . 2 1 12 12 PHE O O . . . . . 2.8 2.4 3.3 . . . . . B . 9 ARG N . . B . 12 PHE O . B* . 9 . N . . . B* . 12 . O . . c25474_2mz6 3 16 1 . . 2 1 14 14 VAL N N . . . 2 1 7 7 TYR O O . . . . . 2.8 2.4 3.3 . . . . . B . 14 VAL N . . B . 7 TYR O . B* . 14 . N . . . B* . 7 . O . . c25474_2mz6 3 17 1 . . 2 1 7 7 TYR N N . . . 2 1 14 14 VAL O O . . . . . 2.8 2.4 3.3 . . . . . B . 7 TYR N . . B . 14 VAL O . B* . 7 . N . . . B* . 14 . O . . c25474_2mz6 3 18 1 . . 2 1 16 16 VAL N N . . . 2 1 5 5 LEU O O . . . . . 2.8 2.4 3.3 . . . . . B . 16 VAL N . . B . 5 LEU O . B* . 16 . N . . . B* . 5 . O . . c25474_2mz6 3 19 1 . . 2 1 5 5 LEU N N . . . 2 1 16 16 VAL O O . . . . . 2.8 2.4 3.3 . . . . . B . 5 LEU N . . B . 16 VAL O . B* . 5 . N . . . B* . 16 . O . . c25474_2mz6 3 20 1 . . 2 1 11 11 ARG H H . . . 2 1 9 9 ARG O O . . . . . 2.8 2.4 3.3 . . . . . B . 11 ARG H . . B . 9 ARG O . B* . 11 . HN . . . B* . 9 . O . . c25474_2mz6 3 21 1 . . 2 1 12 12 PHE H H . . . 2 1 9 9 ARG O O . . . . . 1.8 1.5 2.3 . . . . . B . 12 PHE H . . B . 9 ARG O . B* . 12 . HN . . . B* . 9 . O . . c25474_2mz6 3 22 1 . . 2 1 9 9 ARG H H . . . 2 1 12 12 PHE O O . . . . . 1.8 1.5 2.3 . . . . . B . 9 ARG H . . B . 12 PHE O . B* . 9 . HN . . . B* . 12 . O . . c25474_2mz6 3 23 1 . . 2 1 14 14 VAL H H . . . 2 1 7 7 TYR O O . . . . . 1.8 1.5 2.3 . . . . . B . 14 VAL H . . B . 7 TYR O . B* . 14 . HN . . . B* . 7 . O . . c25474_2mz6 3 24 1 . . 2 1 7 7 TYR H H . . . 2 1 14 14 VAL O O . . . . . 1.8 1.5 2.3 . . . . . B . 7 TYR H . . B . 14 VAL O . B* . 7 . HN . . . B* . 14 . O . . c25474_2mz6 3 25 1 . . 2 1 16 16 VAL H H . . . 2 1 5 5 LEU O O . . . . . 1.8 1.5 2.3 . . . . . B . 16 VAL H . . B . 5 LEU O . B* . 16 . HN . . . B* . 5 . O . . c25474_2mz6 3 26 1 . . 2 1 5 5 LEU H H . . . 2 1 16 16 VAL O O . . . . . 1.8 1.5 2.3 . . . . . B . 5 LEU H . . B . 16 VAL O . B* . 5 . HN . . . B* . 16 . O . . c25474_2mz6 3 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 'A.4.1 Hbonds: intramonomer A' 1 1 1 30 c25474_2mz6 3 2 'A.4.2 Hbonds: intramonomer B' 17 1 17 30 c25474_2mz6 3 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_5 _Gen_dist_constraint_list.Entry_ID c25474_2mz6 _Gen_dist_constraint_list.ID 4 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 5 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 . . . . c25474_2mz6 4 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 17 17 GLY N N . . . 2 1 13 13 CYS O O . . . . . 2.8 2.4 3.3 . . . . . A . 17 GLY N . . B . 13 CYS O . A* . 17 . N . . . B* . 13 . O . . c25474_2mz6 4 2 1 . . 2 1 13 13 CYS N N . . . 1 1 17 17 GLY O O . . . . . 2.8 2.4 3.3 . . . . . B . 13 CYS N . . A . 17 GLY O . B* . 13 . N . . . A* . 17 . O . . c25474_2mz6 4 3 1 . . 1 1 15 15 CYS N N . . . 2 1 15 15 CYS O O . . . . . 2.8 2.4 3.3 . . . . . A . 15 CYS N . . B . 15 CYS O . A* . 15 . N . . . B* . 15 . O . . c25474_2mz6 4 4 1 . . 2 1 15 15 CYS N N . . . 1 1 15 15 CYS O O . . . . . 2.8 2.4 3.3 . . . . . B . 15 CYS N . . A . 15 CYS O . B* . 15 . N . . . A* . 15 . O . . c25474_2mz6 4 5 1 . . 1 1 17 17 GLY H H . . . 2 1 13 13 CYS O O . . . . . 1.8 1.5 2.3 . . . . . A . 17 GLY H . . B . 13 CYS O . A* . 17 . HN . . . B* . 13 . O . . c25474_2mz6 4 6 1 . . 2 1 13 13 CYS H H . . . 1 1 17 17 GLY O O . . . . . 1.8 1.5 2.3 . . . . . B . 13 CYS H . . A . 17 GLY O . B* . 13 . HN . . . A* . 17 . O . . c25474_2mz6 4 7 1 . . 1 1 15 15 CYS H H . . . 2 1 15 15 CYS O O . . . . . 1.8 1.5 2.3 . . . . . A . 15 CYS H . . B . 15 CYS O . A* . 15 . HN . . . B* . 15 . O . . c25474_2mz6 4 8 1 . . 2 1 15 15 CYS H H . . . 1 1 15 15 CYS O O . . . . . 1.8 1.5 2.3 . . . . . B . 15 CYS H . . A . 15 CYS O . B* . 15 . HN . . . A* . 15 . O . . c25474_2mz6 4 9 1 . . 1 1 14 14 VAL HA H . . . 2 1 16 16 VAL HA H . . . . . 1.8 1.5 2.3 . . . . . A . 14 VAL HA . . B . 16 VAL HA . A* . 14 . HA . . . B* . 16 . HA . . c25474_2mz6 4 10 1 . . 1 1 14 14 VAL HA H . . . 2 1 16 16 VAL HA H . . . . . 1.8 1.5 2.3 . . . . . A . 14 VAL HA . . B . 16 VAL HA . A* . 14 . HA . . . B* . 16 . HA . . c25474_2mz6 4 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 ; B Dimer hbonds N-O distances ; 1 3 2 15 c25474_2mz6 4 2 'HN-O distances' 9 1 9 16 c25474_2mz6 4 3 HA-HA 15 1 15 8 c25474_2mz6 4 4 'message=on echo=on' 18 1 18 26 c25474_2mz6 4 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 c25474_2mz6 _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '*HEADER ANTIMICROBIAL PROTEIN 06-FEB-15 2MZ6 *TITLE NMR STRUCTURE OF PROTEGRIN-3 (PG3) IN THE PRESENCE OF DPC MICELLES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: PROTEGRIN-3; *COMPND 3 CHAIN: A, B; *COMPND 4 FRAGMENT: UNP RESIDUES 131-148; *COMPND 5 SYNONYM: PG-3; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: SUS SCROFA; *SOURCE 4 ORGANISM_COMMON: PIGS,SWINE,WILD BOAR; *SOURCE 5 ORGANISM_TAXID: 9823 *KEYWDS PROTEGRIN, ANTIMICROBIAL PROTEIN, DPC MICELLE, DIMER *EXPDTA SOLUTION NMR *NUMMDL 1 *AUTHOR K.S.USACHEV, S.V.EFIMOV, O.A.KOLOSOVA, E.A.KLOCHKOVA, A.V.AGANOV, *AUTHOR 2 V.V.KLOCHKOV *REVDAT 1 25-MAR-15 2MZ6 0 set message=off echo=off end' save_