data_30192 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30192 _Entry.Title ; Solution Structure of SinI, antagonist to the master biofilm-regulator SinR in Bacillus subtilis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-10-13 _Entry.Accession_date 2016-10-13 _Entry.Last_release_date 2016-11-11 _Entry.Original_release_date 2016-11-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 G. Draughn G. L. . . 30192 2 B. Bobay B. G . . 30192 3 S. Stowe S. D. . . 30192 4 R. Thompson R. J. . . 30192 5 J. Cavanagh J. . . . 30192 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID biofilm . 30192 repressor . 30192 sporulation . 30192 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30192 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 252 30192 '15N chemical shifts' 51 30192 '1H chemical shifts' 389 30192 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 . . 2017-10-19 . original BMRB . 30192 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 30193 'Solution Structure of the N-terminal DNA-binding domain of the master biofilm-regulator SinR from Bacillus subtilis' 30192 BMRB 30194 'Solution Structure of the C-terminal multimerization domain of the master biofilm-regulator SinR from Bacillus subtilis' 30192 PDB 5TMX 'BMRB Entry Tracking System' 30192 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30192 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution Structure of SinI, antagonist to the master biofilm-regulator SinR in Bacillus subtilis ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 G. Draughn G. L. . . 30192 1 2 B. Bobay B. G. . . 30192 1 3 S. Stowe S. D. . . 30192 1 4 R. Thompson R. J. . . 30192 1 5 J. Cavanagh J. . . . 30192 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30192 _Assembly.ID 1 _Assembly.Name 'Protein SinI' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'entity_1, chain 1' 1 $entity_1 A A yes . . . . . . 30192 1 2 'entity_1, chain 2' 1 $entity_1 B B no . . . . . . 30192 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30192 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Protein SinI' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMASMKNAKQEHFELDQE WVELMVEAKEANISPEEIRK YLLLNKKSAHPGPAARSHTV NPF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 63 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'residues 1-57' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7184.149 _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 1 GLY . 30192 1 2 2 SER . 30192 1 3 3 HIS . 30192 1 4 4 MET . 30192 1 5 5 ALA . 30192 1 6 6 SER . 30192 1 7 7 MET . 30192 1 8 8 LYS . 30192 1 9 9 ASN . 30192 1 10 10 ALA . 30192 1 11 11 LYS . 30192 1 12 12 GLN . 30192 1 13 13 GLU . 30192 1 14 14 HIS . 30192 1 15 15 PHE . 30192 1 16 16 GLU . 30192 1 17 17 LEU . 30192 1 18 18 ASP . 30192 1 19 19 GLN . 30192 1 20 20 GLU . 30192 1 21 21 TRP . 30192 1 22 22 VAL . 30192 1 23 23 GLU . 30192 1 24 24 LEU . 30192 1 25 25 MET . 30192 1 26 26 VAL . 30192 1 27 27 GLU . 30192 1 28 28 ALA . 30192 1 29 29 LYS . 30192 1 30 30 GLU . 30192 1 31 31 ALA . 30192 1 32 32 ASN . 30192 1 33 33 ILE . 30192 1 34 34 SER . 30192 1 35 35 PRO . 30192 1 36 36 GLU . 30192 1 37 37 GLU . 30192 1 38 38 ILE . 30192 1 39 39 ARG . 30192 1 40 40 LYS . 30192 1 41 41 TYR . 30192 1 42 42 LEU . 30192 1 43 43 LEU . 30192 1 44 44 LEU . 30192 1 45 45 ASN . 30192 1 46 46 LYS . 30192 1 47 47 LYS . 30192 1 48 48 SER . 30192 1 49 49 ALA . 30192 1 50 50 HIS . 30192 1 51 51 PRO . 30192 1 52 52 GLY . 30192 1 53 53 PRO . 30192 1 54 54 ALA . 30192 1 55 55 ALA . 30192 1 56 56 ARG . 30192 1 57 57 SER . 30192 1 58 58 HIS . 30192 1 59 59 THR . 30192 1 60 60 VAL . 30192 1 61 61 ASN . 30192 1 62 62 PRO . 30192 1 63 63 PHE . 30192 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 30192 1 . SER 2 2 30192 1 . HIS 3 3 30192 1 . MET 4 4 30192 1 . ALA 5 5 30192 1 . SER 6 6 30192 1 . MET 7 7 30192 1 . LYS 8 8 30192 1 . ASN 9 9 30192 1 . ALA 10 10 30192 1 . LYS 11 11 30192 1 . GLN 12 12 30192 1 . GLU 13 13 30192 1 . HIS 14 14 30192 1 . PHE 15 15 30192 1 . GLU 16 16 30192 1 . LEU 17 17 30192 1 . ASP 18 18 30192 1 . GLN 19 19 30192 1 . GLU 20 20 30192 1 . TRP 21 21 30192 1 . VAL 22 22 30192 1 . GLU 23 23 30192 1 . LEU 24 24 30192 1 . MET 25 25 30192 1 . VAL 26 26 30192 1 . GLU 27 27 30192 1 . ALA 28 28 30192 1 . LYS 29 29 30192 1 . GLU 30 30 30192 1 . ALA 31 31 30192 1 . ASN 32 32 30192 1 . ILE 33 33 30192 1 . SER 34 34 30192 1 . PRO 35 35 30192 1 . GLU 36 36 30192 1 . GLU 37 37 30192 1 . ILE 38 38 30192 1 . ARG 39 39 30192 1 . LYS 40 40 30192 1 . TYR 41 41 30192 1 . LEU 42 42 30192 1 . LEU 43 43 30192 1 . LEU 44 44 30192 1 . ASN 45 45 30192 1 . LYS 46 46 30192 1 . LYS 47 47 30192 1 . SER 48 48 30192 1 . ALA 49 49 30192 1 . HIS 50 50 30192 1 . PRO 51 51 30192 1 . GLY 52 52 30192 1 . PRO 53 53 30192 1 . ALA 54 54 30192 1 . ALA 55 55 30192 1 . ARG 56 56 30192 1 . SER 57 57 30192 1 . HIS 58 58 30192 1 . THR 59 59 30192 1 . VAL 60 60 30192 1 . ASN 61 61 30192 1 . PRO 62 62 30192 1 . PHE 63 63 30192 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 30192 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 224308 organism . 'Bacillus subtilis (strain 168)' firmicutes . . Bacteria . Bacillus subtilis 168 . . . . . . . . . . 'sinI, BSU24600' . 30192 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 30192 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli BL21(DE3) . . . . . . . . . 30192 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30192 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-15N] SinI, 20 mM MES, 200 mM sodium chloride, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MES 'natural abundance' . . . . . . 20 . . mM . . . . 30192 1 2 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 30192 1 3 SinI [U-15N] . . 1 $entity_1 . . 1 . . mM . . . . 30192 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30192 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30192 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30192 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N] SinI, 20 mM MES, 200 mM NaCl, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MES 'natural abundance' . . . . . . 20 . . mM . . . . 30192 2 2 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 30192 2 3 SinI '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30192 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30192 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30192 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30192 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N] SinI, 20 mM MES, 200 mM NaCl, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MES 'natural abundance' . . . . . . 20 . . mM . . . . 30192 3 2 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 30192 3 3 SinI '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30192 3 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 30192 3 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 30192 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 30192 1 pH 6 . pH 30192 1 pressure 1 . atm 30192 1 temperature 293 . K 30192 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30192 _Software.ID 1 _Software.Name AMBER _Software.Version 14 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman' . . 30192 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30192 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30192 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30192 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30192 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30192 _Software.ID 3 _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' . . 30192 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30192 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30192 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30192 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30192 4 'peak picking' 30192 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30192 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _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 30192 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 700 . . . 30192 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 30192 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30192 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30192 1 3 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30192 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30192 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30192 1 6 '3D HNCOCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30192 1 7 '3D HNCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30192 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30192 1 9 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30192 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30192 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30192 1 12 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30192 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30192 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30192 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30192 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30192 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30192 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.04 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30192 1 2 '2D 1H-13C HSQC' . . . 30192 1 3 '3D HNCA' . . . 30192 1 4 '3D HNCACB' . . . 30192 1 5 '3D HNCO' . . . 30192 1 6 '3D HNCOCA' . . . 30192 1 7 '3D HNCACO' . . . 30192 1 8 '3D 1H-15N TOCSY' . . . 30192 1 9 '3D C(CO)NH' . . . 30192 1 10 '3D 1H-15N NOESY' . . . 30192 1 11 '3D 1H-13C NOESY' . . . 30192 1 12 '3D CBCA(CO)NH' . . . 30192 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 3 3 HIS HA H 1 4.6600 0.04 . 1 . . . A 3 HIS HA . 30192 1 2 . 1 1 3 3 HIS HB2 H 1 3.0680 0.04 . 1 . . . A 3 HIS HB2 . 30192 1 3 . 1 1 3 3 HIS HB3 H 1 3.1200 0.04 . 1 . . . A 3 HIS HB3 . 30192 1 4 . 1 1 3 3 HIS C C 13 175.3300 0.5 . 1 . . . A 3 HIS C . 30192 1 5 . 1 1 3 3 HIS CA C 13 55.8240 0.5 . 1 . . . A 3 HIS CA . 30192 1 6 . 1 1 3 3 HIS CB C 13 29.3020 0.5 . 1 . . . A 3 HIS CB . 30192 1 7 . 1 1 4 4 MET H H 1 8.3370 0.04 . 1 . . . A 4 MET H . 30192 1 8 . 1 1 4 4 MET HA H 1 4.4180 0.04 . 1 . . . A 4 MET HA . 30192 1 9 . 1 1 4 4 MET HB2 H 1 1.9490 0.04 . 1 . . . A 4 MET HB2 . 30192 1 10 . 1 1 4 4 MET HB3 H 1 2.0400 0.04 . 1 . . . A 4 MET HB3 . 30192 1 11 . 1 1 4 4 MET HG2 H 1 2.5290 0.04 . 1 . . . A 4 MET HG2 . 30192 1 12 . 1 1 4 4 MET HG3 H 1 2.4660 0.04 . 1 . . . A 4 MET HG3 . 30192 1 13 . 1 1 4 4 MET C C 13 176.4960 0.5 . 1 . . . A 4 MET C . 30192 1 14 . 1 1 4 4 MET CA C 13 55.1600 0.5 . 1 . . . A 4 MET CA . 30192 1 15 . 1 1 4 4 MET CB C 13 32.6810 0.5 . 1 . . . A 4 MET CB . 30192 1 16 . 1 1 4 4 MET CG C 13 31.4950 0.5 . 1 . . . A 4 MET CG . 30192 1 17 . 1 1 4 4 MET N N 15 121.6600 0.5 . 1 . . . A 4 MET N . 30192 1 18 . 1 1 5 5 ALA H H 1 8.3690 0.04 . 1 . . . A 5 ALA H . 30192 1 19 . 1 1 5 5 ALA HA H 1 4.2510 0.04 . 1 . . . A 5 ALA HA . 30192 1 20 . 1 1 5 5 ALA HB1 H 1 1.3870 0.04 . 1 . . . A 5 ALA HB1 . 30192 1 21 . 1 1 5 5 ALA HB2 H 1 1.3870 0.04 . 1 . . . A 5 ALA HB2 . 30192 1 22 . 1 1 5 5 ALA HB3 H 1 1.3870 0.04 . 1 . . . A 5 ALA HB3 . 30192 1 23 . 1 1 5 5 ALA C C 13 178.2160 0.5 . 1 . . . A 5 ALA C . 30192 1 24 . 1 1 5 5 ALA CA C 13 52.7110 0.5 . 1 . . . A 5 ALA CA . 30192 1 25 . 1 1 5 5 ALA CB C 13 19.0680 0.5 . 1 . . . A 5 ALA CB . 30192 1 26 . 1 1 5 5 ALA N N 15 125.1380 0.5 . 1 . . . A 5 ALA N . 30192 1 27 . 1 1 6 6 SER H H 1 8.1910 0.04 . 1 . . . A 6 SER H . 30192 1 28 . 1 1 6 6 SER HA H 1 4.3750 0.04 . 1 . . . A 6 SER HA . 30192 1 29 . 1 1 6 6 SER HB2 H 1 3.8070 0.04 . 2 . . . A 6 SER HB2 . 30192 1 30 . 1 1 6 6 SER HB3 H 1 3.8070 0.04 . 2 . . . A 6 SER HB3 . 30192 1 31 . 1 1 6 6 SER C C 13 175.2080 0.5 . 1 . . . A 6 SER C . 30192 1 32 . 1 1 6 6 SER CA C 13 58.2070 0.5 . 1 . . . A 6 SER CA . 30192 1 33 . 1 1 6 6 SER CB C 13 63.5310 0.5 . 1 . . . A 6 SER CB . 30192 1 34 . 1 1 6 6 SER N N 15 114.2180 0.5 . 1 . . . A 6 SER N . 30192 1 35 . 1 1 7 7 MET H H 1 8.2760 0.04 . 1 . . . A 7 MET H . 30192 1 36 . 1 1 7 7 MET HA H 1 4.4800 0.04 . 1 . . . A 7 MET HA . 30192 1 37 . 1 1 7 7 MET HB2 H 1 1.9890 0.04 . 1 . . . A 7 MET HB2 . 30192 1 38 . 1 1 7 7 MET HB3 H 1 2.1030 0.04 . 1 . . . A 7 MET HB3 . 30192 1 39 . 1 1 7 7 MET HG2 H 1 2.5800 0.04 . 1 . . . A 7 MET HG2 . 30192 1 40 . 1 1 7 7 MET HG3 H 1 2.5000 0.04 . 1 . . . A 7 MET HG3 . 30192 1 41 . 1 1 7 7 MET C C 13 176.7670 0.5 . 1 . . . A 7 MET C . 30192 1 42 . 1 1 7 7 MET CA C 13 55.1600 0.5 . 1 . . . A 7 MET CA . 30192 1 43 . 1 1 7 7 MET CB C 13 32.4660 0.5 . 1 . . . A 7 MET CB . 30192 1 44 . 1 1 7 7 MET CG C 13 31.3270 0.5 . 1 . . . A 7 MET CG . 30192 1 45 . 1 1 7 7 MET N N 15 121.9750 0.5 . 1 . . . A 7 MET N . 30192 1 46 . 1 1 8 8 LYS H H 1 8.2220 0.04 . 1 . . . A 8 LYS H . 30192 1 47 . 1 1 8 8 LYS HA H 1 4.2600 0.04 . 1 . . . A 8 LYS HA . 30192 1 48 . 1 1 8 8 LYS HB2 H 1 1.7550 0.04 . 2 . . . A 8 LYS HB2 . 30192 1 49 . 1 1 8 8 LYS HB3 H 1 1.7550 0.04 . 2 . . . A 8 LYS HB3 . 30192 1 50 . 1 1 8 8 LYS HG2 H 1 1.4380 0.04 . 2 . . . A 8 LYS HG2 . 30192 1 51 . 1 1 8 8 LYS HG3 H 1 1.4380 0.04 . 2 . . . A 8 LYS HG3 . 30192 1 52 . 1 1 8 8 LYS HD2 H 1 1.6600 0.04 . 2 . . . A 8 LYS HD2 . 30192 1 53 . 1 1 8 8 LYS HD3 H 1 1.6600 0.04 . 2 . . . A 8 LYS HD3 . 30192 1 54 . 1 1 8 8 LYS HE2 H 1 2.9700 0.04 . 2 . . . A 8 LYS HE2 . 30192 1 55 . 1 1 8 8 LYS HE3 H 1 2.9700 0.04 . 2 . . . A 8 LYS HE3 . 30192 1 56 . 1 1 8 8 LYS C C 13 176.8520 0.5 . 1 . . . A 8 LYS C . 30192 1 57 . 1 1 8 8 LYS CA C 13 56.2440 0.5 . 1 . . . A 8 LYS CA . 30192 1 58 . 1 1 8 8 LYS CB C 13 32.4100 0.5 . 1 . . . A 8 LYS CB . 30192 1 59 . 1 1 8 8 LYS CG C 13 24.4210 0.5 . 1 . . . A 8 LYS CG . 30192 1 60 . 1 1 8 8 LYS CD C 13 28.6060 0.5 . 1 . . . A 8 LYS CD . 30192 1 61 . 1 1 8 8 LYS CE C 13 41.6190 0.5 . 1 . . . A 8 LYS CE . 30192 1 62 . 1 1 8 8 LYS N N 15 121.7140 0.5 . 1 . . . A 8 LYS N . 30192 1 63 . 1 1 9 9 ASN H H 1 8.3470 0.04 . 1 . . . A 9 ASN H . 30192 1 64 . 1 1 9 9 ASN HA H 1 4.6750 0.04 . 1 . . . A 9 ASN HA . 30192 1 65 . 1 1 9 9 ASN HB2 H 1 2.7980 0.04 . 1 . . . A 9 ASN HB2 . 30192 1 66 . 1 1 9 9 ASN HB3 H 1 2.7200 0.04 . 1 . . . A 9 ASN HB3 . 30192 1 67 . 1 1 9 9 ASN C C 13 175.3850 0.5 . 1 . . . A 9 ASN C . 30192 1 68 . 1 1 9 9 ASN CA C 13 52.9790 0.5 . 1 . . . A 9 ASN CA . 30192 1 69 . 1 1 9 9 ASN CB C 13 38.6750 0.5 . 1 . . . A 9 ASN CB . 30192 1 70 . 1 1 9 9 ASN N N 15 118.9650 0.5 . 1 . . . A 9 ASN N . 30192 1 71 . 1 1 10 10 ALA H H 1 8.1450 0.04 . 1 . . . A 10 ALA H . 30192 1 72 . 1 1 10 10 ALA HA H 1 4.2350 0.04 . 1 . . . A 10 ALA HA . 30192 1 73 . 1 1 10 10 ALA HB1 H 1 1.3800 0.04 . 1 . . . A 10 ALA HB1 . 30192 1 74 . 1 1 10 10 ALA HB2 H 1 1.3800 0.04 . 1 . . . A 10 ALA HB2 . 30192 1 75 . 1 1 10 10 ALA HB3 H 1 1.3800 0.04 . 1 . . . A 10 ALA HB3 . 30192 1 76 . 1 1 10 10 ALA C C 13 178.2300 0.5 . 1 . . . A 10 ALA C . 30192 1 77 . 1 1 10 10 ALA CA C 13 52.8570 0.5 . 1 . . . A 10 ALA CA . 30192 1 78 . 1 1 10 10 ALA CB C 13 18.3270 0.5 . 1 . . . A 10 ALA CB . 30192 1 79 . 1 1 10 10 ALA N N 15 123.8450 0.5 . 1 . . . A 10 ALA N . 30192 1 80 . 1 1 11 11 LYS H H 1 8.2020 0.04 . 1 . . . A 11 LYS H . 30192 1 81 . 1 1 11 11 LYS HA H 1 4.2600 0.04 . 1 . . . A 11 LYS HA . 30192 1 82 . 1 1 11 11 LYS HB2 H 1 1.7550 0.04 . 2 . . . A 11 LYS HB2 . 30192 1 83 . 1 1 11 11 LYS HB3 H 1 1.7550 0.04 . 2 . . . A 11 LYS HB3 . 30192 1 84 . 1 1 11 11 LYS HG2 H 1 1.3770 0.04 . 2 . . . A 11 LYS HG2 . 30192 1 85 . 1 1 11 11 LYS HG3 H 1 1.3770 0.04 . 2 . . . A 11 LYS HG3 . 30192 1 86 . 1 1 11 11 LYS HD2 H 1 1.6600 0.04 . 2 . . . A 11 LYS HD2 . 30192 1 87 . 1 1 11 11 LYS HD3 H 1 1.6600 0.04 . 2 . . . A 11 LYS HD3 . 30192 1 88 . 1 1 11 11 LYS HE2 H 1 2.9700 0.04 . 2 . . . A 11 LYS HE2 . 30192 1 89 . 1 1 11 11 LYS HE3 H 1 2.9700 0.04 . 2 . . . A 11 LYS HE3 . 30192 1 90 . 1 1 11 11 LYS C C 13 177.0280 0.5 . 1 . . . A 11 LYS C . 30192 1 91 . 1 1 11 11 LYS CA C 13 56.2440 0.5 . 1 . . . A 11 LYS CA . 30192 1 92 . 1 1 11 11 LYS CB C 13 32.4100 0.5 . 1 . . . A 11 LYS CB . 30192 1 93 . 1 1 11 11 LYS CG C 13 24.4200 0.5 . 1 . . . A 11 LYS CG . 30192 1 94 . 1 1 11 11 LYS CD C 13 28.6060 0.5 . 1 . . . A 11 LYS CD . 30192 1 95 . 1 1 11 11 LYS CE C 13 41.6190 0.5 . 1 . . . A 11 LYS CE . 30192 1 96 . 1 1 11 11 LYS N N 15 119.5140 0.5 . 1 . . . A 11 LYS N . 30192 1 97 . 1 1 12 12 GLN H H 1 8.2330 0.04 . 1 . . . A 12 GLN H . 30192 1 98 . 1 1 12 12 GLN HA H 1 4.2570 0.04 . 1 . . . A 12 GLN HA . 30192 1 99 . 1 1 12 12 GLN HB2 H 1 1.9650 0.04 . 1 . . . A 12 GLN HB2 . 30192 1 100 . 1 1 12 12 GLN HB3 H 1 2.0460 0.04 . 1 . . . A 12 GLN HB3 . 30192 1 101 . 1 1 12 12 GLN HG2 H 1 2.3030 0.04 . 2 . . . A 12 GLN HG2 . 30192 1 102 . 1 1 12 12 GLN HG3 H 1 2.3030 0.04 . 2 . . . A 12 GLN HG3 . 30192 1 103 . 1 1 12 12 GLN C C 13 176.2550 0.5 . 1 . . . A 12 GLN C . 30192 1 104 . 1 1 12 12 GLN CA C 13 55.4310 0.5 . 1 . . . A 12 GLN CA . 30192 1 105 . 1 1 12 12 GLN CB C 13 28.8900 0.5 . 1 . . . A 12 GLN CB . 30192 1 106 . 1 1 12 12 GLN CG C 13 33.3580 0.5 . 1 . . . A 12 GLN CG . 30192 1 107 . 1 1 12 12 GLN N N 15 120.7840 0.5 . 1 . . . A 12 GLN N . 30192 1 108 . 1 1 13 13 GLU H H 1 8.3230 0.04 . 1 . . . A 13 GLU H . 30192 1 109 . 1 1 13 13 GLU HA H 1 4.1910 0.04 . 1 . . . A 13 GLU HA . 30192 1 110 . 1 1 13 13 GLU HB2 H 1 1.8000 0.04 . 1 . . . A 13 GLU HB2 . 30192 1 111 . 1 1 13 13 GLU HB3 H 1 1.8400 0.04 . 1 . . . A 13 GLU HB3 . 30192 1 112 . 1 1 13 13 GLU HG2 H 1 2.0900 0.04 . 1 . . . A 13 GLU HG2 . 30192 1 113 . 1 1 13 13 GLU HG3 H 1 2.1550 0.04 . 1 . . . A 13 GLU HG3 . 30192 1 114 . 1 1 13 13 GLU C C 13 176.4130 0.5 . 1 . . . A 13 GLU C . 30192 1 115 . 1 1 13 13 GLU CA C 13 56.2440 0.5 . 1 . . . A 13 GLU CA . 30192 1 116 . 1 1 13 13 GLU CB C 13 29.9730 0.5 . 1 . . . A 13 GLU CB . 30192 1 117 . 1 1 13 13 GLU CG C 13 35.7960 0.5 . 1 . . . A 13 GLU CG . 30192 1 118 . 1 1 13 13 GLU N N 15 121.5980 0.5 . 1 . . . A 13 GLU N . 30192 1 119 . 1 1 14 14 HIS H H 1 8.3200 0.04 . 1 . . . A 14 HIS H . 30192 1 120 . 1 1 14 14 HIS HA H 1 4.6550 0.04 . 1 . . . A 14 HIS HA . 30192 1 121 . 1 1 14 14 HIS HB2 H 1 3.0710 0.04 . 1 . . . A 14 HIS HB2 . 30192 1 122 . 1 1 14 14 HIS HB3 H 1 3.1210 0.04 . 1 . . . A 14 HIS HB3 . 30192 1 123 . 1 1 14 14 HIS C C 13 174.5980 0.5 . 1 . . . A 14 HIS C . 30192 1 124 . 1 1 14 14 HIS CA C 13 55.1600 0.5 . 1 . . . A 14 HIS CA . 30192 1 125 . 1 1 14 14 HIS CB C 13 29.4310 0.5 . 1 . . . A 14 HIS CB . 30192 1 126 . 1 1 14 14 HIS N N 15 118.6230 0.5 . 1 . . . A 14 HIS N . 30192 1 127 . 1 1 15 15 PHE H H 1 8.2100 0.04 . 1 . . . A 15 PHE H . 30192 1 128 . 1 1 15 15 PHE HA H 1 4.5800 0.04 . 1 . . . A 15 PHE HA . 30192 1 129 . 1 1 15 15 PHE HB2 H 1 2.9220 0.04 . 1 . . . A 15 PHE HB2 . 30192 1 130 . 1 1 15 15 PHE HB3 H 1 3.0410 0.04 . 1 . . . A 15 PHE HB3 . 30192 1 131 . 1 1 15 15 PHE HD1 H 1 7.1900 0.04 . 3 . . . A 15 PHE HD1 . 30192 1 132 . 1 1 15 15 PHE HD2 H 1 7.1900 0.04 . 3 . . . A 15 PHE HD2 . 30192 1 133 . 1 1 15 15 PHE HE1 H 1 7.2810 0.04 . 3 . . . A 15 PHE HE1 . 30192 1 134 . 1 1 15 15 PHE HE2 H 1 7.2810 0.04 . 3 . . . A 15 PHE HE2 . 30192 1 135 . 1 1 15 15 PHE C C 13 175.5130 0.5 . 1 . . . A 15 PHE C . 30192 1 136 . 1 1 15 15 PHE CA C 13 57.3270 0.5 . 1 . . . A 15 PHE CA . 30192 1 137 . 1 1 15 15 PHE CB C 13 39.8640 0.5 . 1 . . . A 15 PHE CB . 30192 1 138 . 1 1 15 15 PHE CD1 C 13 131.3800 0.5 . 1 . . . A 15 PHE CD1 . 30192 1 139 . 1 1 15 15 PHE CD2 C 13 131.3800 0.5 . 1 . . . A 15 PHE CD2 . 30192 1 140 . 1 1 15 15 PHE CE1 C 13 131.0940 0.5 . 1 . . . A 15 PHE CE1 . 30192 1 141 . 1 1 15 15 PHE CE2 C 13 131.0940 0.5 . 1 . . . A 15 PHE CE2 . 30192 1 142 . 1 1 15 15 PHE N N 15 121.6870 0.5 . 1 . . . A 15 PHE N . 30192 1 143 . 1 1 16 16 GLU H H 1 8.3830 0.04 . 1 . . . A 16 GLU H . 30192 1 144 . 1 1 16 16 GLU HA H 1 4.3230 0.04 . 1 . . . A 16 GLU HA . 30192 1 145 . 1 1 16 16 GLU HB2 H 1 1.8830 0.04 . 1 . . . A 16 GLU HB2 . 30192 1 146 . 1 1 16 16 GLU HB3 H 1 2.0080 0.04 . 1 . . . A 16 GLU HB3 . 30192 1 147 . 1 1 16 16 GLU HG2 H 1 2.2110 0.04 . 2 . . . A 16 GLU HG2 . 30192 1 148 . 1 1 16 16 GLU HG3 H 1 2.2110 0.04 . 2 . . . A 16 GLU HG3 . 30192 1 149 . 1 1 16 16 GLU C C 13 176.2390 0.5 . 1 . . . A 16 GLU C . 30192 1 150 . 1 1 16 16 GLU CA C 13 55.7020 0.5 . 1 . . . A 16 GLU CA . 30192 1 151 . 1 1 16 16 GLU CB C 13 30.2440 0.5 . 1 . . . A 16 GLU CB . 30192 1 152 . 1 1 16 16 GLU CG C 13 35.6600 0.5 . 1 . . . A 16 GLU CG . 30192 1 153 . 1 1 16 16 GLU N N 15 121.2400 0.5 . 1 . . . A 16 GLU N . 30192 1 154 . 1 1 17 17 LEU H H 1 8.1860 0.04 . 1 . . . A 17 LEU H . 30192 1 155 . 1 1 17 17 LEU HA H 1 4.3500 0.04 . 1 . . . A 17 LEU HA . 30192 1 156 . 1 1 17 17 LEU HB2 H 1 1.6250 0.04 . 2 . . . A 17 LEU HB2 . 30192 1 157 . 1 1 17 17 LEU HB3 H 1 1.6250 0.04 . 2 . . . A 17 LEU HB3 . 30192 1 158 . 1 1 17 17 LEU HG H 1 1.6850 0.04 . 1 . . . A 17 LEU HG . 30192 1 159 . 1 1 17 17 LEU HD11 H 1 0.9470 0.04 . 2 . . . A 17 LEU HD11 . 30192 1 160 . 1 1 17 17 LEU HD12 H 1 0.9470 0.04 . 2 . . . A 17 LEU HD12 . 30192 1 161 . 1 1 17 17 LEU HD13 H 1 0.9470 0.04 . 2 . . . A 17 LEU HD13 . 30192 1 162 . 1 1 17 17 LEU HD21 H 1 0.8540 0.04 . 2 . . . A 17 LEU HD21 . 30192 1 163 . 1 1 17 17 LEU HD22 H 1 0.8540 0.04 . 2 . . . A 17 LEU HD22 . 30192 1 164 . 1 1 17 17 LEU HD23 H 1 0.8540 0.04 . 2 . . . A 17 LEU HD23 . 30192 1 165 . 1 1 17 17 LEU C C 13 176.6570 0.5 . 1 . . . A 17 LEU C . 30192 1 166 . 1 1 17 17 LEU CA C 13 54.6190 0.5 . 1 . . . A 17 LEU CA . 30192 1 167 . 1 1 17 17 LEU CB C 13 42.8430 0.5 . 1 . . . A 17 LEU CB . 30192 1 168 . 1 1 17 17 LEU CG C 13 26.9940 0.5 . 1 . . . A 17 LEU CG . 30192 1 169 . 1 1 17 17 LEU CD1 C 13 25.2810 0.5 . 1 . . . A 17 LEU CD1 . 30192 1 170 . 1 1 17 17 LEU CD2 C 13 23.8110 0.5 . 1 . . . A 17 LEU CD2 . 30192 1 171 . 1 1 17 17 LEU N N 15 122.3300 0.5 . 1 . . . A 17 LEU N . 30192 1 172 . 1 1 18 18 ASP H H 1 7.9350 0.04 . 1 . . . A 18 ASP H . 30192 1 173 . 1 1 18 18 ASP HA H 1 4.7090 0.04 . 1 . . . A 18 ASP HA . 30192 1 174 . 1 1 18 18 ASP HB2 H 1 2.9300 0.04 . 1 . . . A 18 ASP HB2 . 30192 1 175 . 1 1 18 18 ASP HB3 H 1 3.0100 0.04 . 1 . . . A 18 ASP HB3 . 30192 1 176 . 1 1 18 18 ASP C C 13 177.4930 0.5 . 1 . . . A 18 ASP C . 30192 1 177 . 1 1 18 18 ASP CA C 13 54.0690 0.5 . 1 . . . A 18 ASP CA . 30192 1 178 . 1 1 18 18 ASP CB C 13 41.5910 0.5 . 1 . . . A 18 ASP CB . 30192 1 179 . 1 1 18 18 ASP N N 15 121.3790 0.5 . 1 . . . A 18 ASP N . 30192 1 180 . 1 1 19 19 GLN H H 1 8.6660 0.04 . 1 . . . A 19 GLN H . 30192 1 181 . 1 1 19 19 GLN HA H 1 3.9600 0.04 . 1 . . . A 19 GLN HA . 30192 1 182 . 1 1 19 19 GLN HB2 H 1 2.0600 0.04 . 1 . . . A 19 GLN HB2 . 30192 1 183 . 1 1 19 19 GLN HB3 H 1 2.2090 0.04 . 1 . . . A 19 GLN HB3 . 30192 1 184 . 1 1 19 19 GLN HG2 H 1 2.4250 0.04 . 2 . . . A 19 GLN HG2 . 30192 1 185 . 1 1 19 19 GLN HG3 H 1 2.4250 0.04 . 2 . . . A 19 GLN HG3 . 30192 1 186 . 1 1 19 19 GLN C C 13 178.1710 0.5 . 1 . . . A 19 GLN C . 30192 1 187 . 1 1 19 19 GLN CA C 13 59.0500 0.5 . 1 . . . A 19 GLN CA . 30192 1 188 . 1 1 19 19 GLN CB C 13 27.8600 0.5 . 1 . . . A 19 GLN CB . 30192 1 189 . 1 1 19 19 GLN CG C 13 32.9520 0.5 . 1 . . . A 19 GLN CG . 30192 1 190 . 1 1 19 19 GLN N N 15 121.6860 0.5 . 1 . . . A 19 GLN N . 30192 1 191 . 1 1 20 20 GLU H H 1 8.7100 0.04 . 1 . . . A 20 GLU H . 30192 1 192 . 1 1 20 20 GLU HA H 1 4.0240 0.04 . 1 . . . A 20 GLU HA . 30192 1 193 . 1 1 20 20 GLU HB2 H 1 1.8740 0.04 . 1 . . . A 20 GLU HB2 . 30192 1 194 . 1 1 20 20 GLU HB3 H 1 2.0150 0.04 . 1 . . . A 20 GLU HB3 . 30192 1 195 . 1 1 20 20 GLU HG2 H 1 2.1050 0.04 . 1 . . . A 20 GLU HG2 . 30192 1 196 . 1 1 20 20 GLU HG3 H 1 2.2200 0.04 . 1 . . . A 20 GLU HG3 . 30192 1 197 . 1 1 20 20 GLU C C 13 180.1340 0.5 . 1 . . . A 20 GLU C . 30192 1 198 . 1 1 20 20 GLU CA C 13 58.9520 0.5 . 1 . . . A 20 GLU CA . 30192 1 199 . 1 1 20 20 GLU CB C 13 29.0250 0.5 . 1 . . . A 20 GLU CB . 30192 1 200 . 1 1 20 20 GLU CG C 13 36.2020 0.5 . 1 . . . A 20 GLU CG . 30192 1 201 . 1 1 20 20 GLU N N 15 118.2610 0.5 . 1 . . . A 20 GLU N . 30192 1 202 . 1 1 21 21 TRP H H 1 7.8660 0.04 . 1 . . . A 21 TRP H . 30192 1 203 . 1 1 21 21 TRP HA H 1 4.2070 0.04 . 1 . . . A 21 TRP HA . 30192 1 204 . 1 1 21 21 TRP HB2 H 1 3.4080 0.04 . 1 . . . A 21 TRP HB2 . 30192 1 205 . 1 1 21 21 TRP HB3 H 1 3.3430 0.04 . 1 . . . A 21 TRP HB3 . 30192 1 206 . 1 1 21 21 TRP HD1 H 1 7.5900 0.04 . 1 . . . A 21 TRP HD1 . 30192 1 207 . 1 1 21 21 TRP HE3 H 1 7.7830 0.04 . 1 . . . A 21 TRP HE3 . 30192 1 208 . 1 1 21 21 TRP HZ2 H 1 7.5130 0.04 . 1 . . . A 21 TRP HZ2 . 30192 1 209 . 1 1 21 21 TRP HZ3 H 1 6.9900 0.04 . 1 . . . A 21 TRP HZ3 . 30192 1 210 . 1 1 21 21 TRP HH2 H 1 6.8550 0.04 . 1 . . . A 21 TRP HH2 . 30192 1 211 . 1 1 21 21 TRP C C 13 178.3420 0.5 . 1 . . . A 21 TRP C . 30192 1 212 . 1 1 21 21 TRP CA C 13 60.8480 0.5 . 1 . . . A 21 TRP CA . 30192 1 213 . 1 1 21 21 TRP CB C 13 29.4310 0.5 . 1 . . . A 21 TRP CB . 30192 1 214 . 1 1 21 21 TRP CD1 C 13 126.6650 0.5 . 1 . . . A 21 TRP CD1 . 30192 1 215 . 1 1 21 21 TRP CE3 C 13 119.5220 0.5 . 1 . . . A 21 TRP CE3 . 30192 1 216 . 1 1 21 21 TRP CZ2 C 13 114.0930 0.5 . 1 . . . A 21 TRP CZ2 . 30192 1 217 . 1 1 21 21 TRP CZ3 C 13 120.9510 0.5 . 1 . . . A 21 TRP CZ3 . 30192 1 218 . 1 1 21 21 TRP CH2 C 13 123.9510 0.5 . 1 . . . A 21 TRP CH2 . 30192 1 219 . 1 1 21 21 TRP N N 15 119.3840 0.5 . 1 . . . A 21 TRP N . 30192 1 220 . 1 1 22 22 VAL H H 1 8.0310 0.04 . 1 . . . A 22 VAL H . 30192 1 221 . 1 1 22 22 VAL HA H 1 3.5100 0.04 . 1 . . . A 22 VAL HA . 30192 1 222 . 1 1 22 22 VAL HB H 1 2.1400 0.04 . 1 . . . A 22 VAL HB . 30192 1 223 . 1 1 22 22 VAL HG11 H 1 0.8300 0.04 . 2 . . . A 22 VAL HG11 . 30192 1 224 . 1 1 22 22 VAL HG12 H 1 0.8300 0.04 . 2 . . . A 22 VAL HG12 . 30192 1 225 . 1 1 22 22 VAL HG13 H 1 0.8300 0.04 . 2 . . . A 22 VAL HG13 . 30192 1 226 . 1 1 22 22 VAL HG21 H 1 0.9600 0.04 . 2 . . . A 22 VAL HG21 . 30192 1 227 . 1 1 22 22 VAL HG22 H 1 0.9600 0.04 . 2 . . . A 22 VAL HG22 . 30192 1 228 . 1 1 22 22 VAL HG23 H 1 0.9600 0.04 . 2 . . . A 22 VAL HG23 . 30192 1 229 . 1 1 22 22 VAL C C 13 178.0520 0.5 . 1 . . . A 22 VAL C . 30192 1 230 . 1 1 22 22 VAL CA C 13 66.8060 0.5 . 1 . . . A 22 VAL CA . 30192 1 231 . 1 1 22 22 VAL CB C 13 31.4160 0.5 . 1 . . . A 22 VAL CB . 30192 1 232 . 1 1 22 22 VAL CG1 C 13 21.0350 0.5 . 1 . . . A 22 VAL CG1 . 30192 1 233 . 1 1 22 22 VAL CG2 C 13 22.9310 0.5 . 1 . . . A 22 VAL CG2 . 30192 1 234 . 1 1 22 22 VAL N N 15 120.5590 0.5 . 1 . . . A 22 VAL N . 30192 1 235 . 1 1 23 23 GLU H H 1 7.9480 0.04 . 1 . . . A 23 GLU H . 30192 1 236 . 1 1 23 23 GLU HA H 1 3.8230 0.04 . 1 . . . A 23 GLU HA . 30192 1 237 . 1 1 23 23 GLU HB2 H 1 1.9270 0.04 . 1 . . . A 23 GLU HB2 . 30192 1 238 . 1 1 23 23 GLU HB3 H 1 1.9800 0.04 . 1 . . . A 23 GLU HB3 . 30192 1 239 . 1 1 23 23 GLU HG2 H 1 2.2160 0.04 . 1 . . . A 23 GLU HG2 . 30192 1 240 . 1 1 23 23 GLU HG3 H 1 2.4500 0.04 . 1 . . . A 23 GLU HG3 . 30192 1 241 . 1 1 23 23 GLU C C 13 179.4100 0.5 . 1 . . . A 23 GLU C . 30192 1 242 . 1 1 23 23 GLU CA C 13 58.9520 0.5 . 1 . . . A 23 GLU CA . 30192 1 243 . 1 1 23 23 GLU CB C 13 28.6190 0.5 . 1 . . . A 23 GLU CB . 30192 1 244 . 1 1 23 23 GLU CG C 13 36.2020 0.5 . 1 . . . A 23 GLU CG . 30192 1 245 . 1 1 23 23 GLU N N 15 116.5110 0.5 . 1 . . . A 23 GLU N . 30192 1 246 . 1 1 24 24 LEU H H 1 7.2980 0.04 . 1 . . . A 24 LEU H . 30192 1 247 . 1 1 24 24 LEU HA H 1 3.9430 0.04 . 1 . . . A 24 LEU HA . 30192 1 248 . 1 1 24 24 LEU HB2 H 1 1.5210 0.04 . 1 . . . A 24 LEU HB2 . 30192 1 249 . 1 1 24 24 LEU HB3 H 1 1.7170 0.04 . 1 . . . A 24 LEU HB3 . 30192 1 250 . 1 1 24 24 LEU HG H 1 1.6050 0.04 . 1 . . . A 24 LEU HG . 30192 1 251 . 1 1 24 24 LEU HD11 H 1 0.7300 0.04 . 2 . . . A 24 LEU HD11 . 30192 1 252 . 1 1 24 24 LEU HD12 H 1 0.7300 0.04 . 2 . . . A 24 LEU HD12 . 30192 1 253 . 1 1 24 24 LEU HD13 H 1 0.7300 0.04 . 2 . . . A 24 LEU HD13 . 30192 1 254 . 1 1 24 24 LEU HD21 H 1 0.6270 0.04 . 2 . . . A 24 LEU HD21 . 30192 1 255 . 1 1 24 24 LEU HD22 H 1 0.6270 0.04 . 2 . . . A 24 LEU HD22 . 30192 1 256 . 1 1 24 24 LEU HD23 H 1 0.6270 0.04 . 2 . . . A 24 LEU HD23 . 30192 1 257 . 1 1 24 24 LEU C C 13 177.5730 0.5 . 1 . . . A 24 LEU C . 30192 1 258 . 1 1 24 24 LEU CA C 13 57.4000 0.5 . 1 . . . A 24 LEU CA . 30192 1 259 . 1 1 24 24 LEU CB C 13 41.6320 0.5 . 1 . . . A 24 LEU CB . 30192 1 260 . 1 1 24 24 LEU CG C 13 26.6910 0.5 . 1 . . . A 24 LEU CG . 30192 1 261 . 1 1 24 24 LEU CD1 C 13 24.9870 0.5 . 1 . . . A 24 LEU CD1 . 30192 1 262 . 1 1 24 24 LEU CD2 C 13 23.8700 0.5 . 1 . . . A 24 LEU CD2 . 30192 1 263 . 1 1 24 24 LEU N N 15 119.0370 0.5 . 1 . . . A 24 LEU N . 30192 1 264 . 1 1 25 25 MET H H 1 7.9520 0.04 . 1 . . . A 25 MET H . 30192 1 265 . 1 1 25 25 MET HA H 1 3.0560 0.04 . 1 . . . A 25 MET HA . 30192 1 266 . 1 1 25 25 MET HB2 H 1 1.6580 0.04 . 1 . . . A 25 MET HB2 . 30192 1 267 . 1 1 25 25 MET HB3 H 1 1.8400 0.04 . 1 . . . A 25 MET HB3 . 30192 1 268 . 1 1 25 25 MET HG2 H 1 1.9360 0.04 . 2 . . . A 25 MET HG2 . 30192 1 269 . 1 1 25 25 MET HG3 H 1 1.9360 0.04 . 2 . . . A 25 MET HG3 . 30192 1 270 . 1 1 25 25 MET C C 13 178.3130 0.5 . 1 . . . A 25 MET C . 30192 1 271 . 1 1 25 25 MET CA C 13 58.4100 0.5 . 1 . . . A 25 MET CA . 30192 1 272 . 1 1 25 25 MET CB C 13 31.4630 0.5 . 1 . . . A 25 MET CB . 30192 1 273 . 1 1 25 25 MET CG C 13 32.2040 0.5 . 1 . . . A 25 MET CG . 30192 1 274 . 1 1 25 25 MET N N 15 118.6090 0.5 . 1 . . . A 25 MET N . 30192 1 275 . 1 1 26 26 VAL H H 1 8.0270 0.04 . 1 . . . A 26 VAL H . 30192 1 276 . 1 1 26 26 VAL HA H 1 3.3100 0.04 . 1 . . . A 26 VAL HA . 30192 1 277 . 1 1 26 26 VAL HB H 1 2.0100 0.04 . 1 . . . A 26 VAL HB . 30192 1 278 . 1 1 26 26 VAL HG11 H 1 0.8070 0.04 . 2 . . . A 26 VAL HG11 . 30192 1 279 . 1 1 26 26 VAL HG12 H 1 0.8070 0.04 . 2 . . . A 26 VAL HG12 . 30192 1 280 . 1 1 26 26 VAL HG13 H 1 0.8070 0.04 . 2 . . . A 26 VAL HG13 . 30192 1 281 . 1 1 26 26 VAL HG21 H 1 0.8680 0.04 . 2 . . . A 26 VAL HG21 . 30192 1 282 . 1 1 26 26 VAL HG22 H 1 0.8680 0.04 . 2 . . . A 26 VAL HG22 . 30192 1 283 . 1 1 26 26 VAL HG23 H 1 0.8680 0.04 . 2 . . . A 26 VAL HG23 . 30192 1 284 . 1 1 26 26 VAL C C 13 179.0300 0.5 . 1 . . . A 26 VAL C . 30192 1 285 . 1 1 26 26 VAL CA C 13 66.5350 0.5 . 1 . . . A 26 VAL CA . 30192 1 286 . 1 1 26 26 VAL CB C 13 31.4160 0.5 . 1 . . . A 26 VAL CB . 30192 1 287 . 1 1 26 26 VAL CG1 C 13 20.7650 0.5 . 1 . . . A 26 VAL CG1 . 30192 1 288 . 1 1 26 26 VAL CG2 C 13 22.3900 0.5 . 1 . . . A 26 VAL CG2 . 30192 1 289 . 1 1 26 26 VAL N N 15 118.6950 0.5 . 1 . . . A 26 VAL N . 30192 1 290 . 1 1 27 27 GLU H H 1 7.8310 0.04 . 1 . . . A 27 GLU H . 30192 1 291 . 1 1 27 27 GLU HA H 1 3.9210 0.04 . 1 . . . A 27 GLU HA . 30192 1 292 . 1 1 27 27 GLU HB2 H 1 1.9700 0.04 . 1 . . . A 27 GLU HB2 . 30192 1 293 . 1 1 27 27 GLU HB3 H 1 2.0900 0.04 . 1 . . . A 27 GLU HB3 . 30192 1 294 . 1 1 27 27 GLU HG2 H 1 2.1200 0.04 . 1 . . . A 27 GLU HG2 . 30192 1 295 . 1 1 27 27 GLU HG3 H 1 2.3900 0.04 . 1 . . . A 27 GLU HG3 . 30192 1 296 . 1 1 27 27 GLU C C 13 180.1480 0.5 . 1 . . . A 27 GLU C . 30192 1 297 . 1 1 27 27 GLU CA C 13 59.1020 0.5 . 1 . . . A 27 GLU CA . 30192 1 298 . 1 1 27 27 GLU CB C 13 29.4310 0.5 . 1 . . . A 27 GLU CB . 30192 1 299 . 1 1 27 27 GLU CG C 13 36.2020 0.5 . 1 . . . A 27 GLU CG . 30192 1 300 . 1 1 27 27 GLU N N 15 119.8240 0.5 . 1 . . . A 27 GLU N . 30192 1 301 . 1 1 28 28 ALA H H 1 8.8000 0.04 . 1 . . . A 28 ALA H . 30192 1 302 . 1 1 28 28 ALA HA H 1 3.9550 0.04 . 1 . . . A 28 ALA HA . 30192 1 303 . 1 1 28 28 ALA HB1 H 1 1.5720 0.04 . 1 . . . A 28 ALA HB1 . 30192 1 304 . 1 1 28 28 ALA HB2 H 1 1.5720 0.04 . 1 . . . A 28 ALA HB2 . 30192 1 305 . 1 1 28 28 ALA HB3 H 1 1.5720 0.04 . 1 . . . A 28 ALA HB3 . 30192 1 306 . 1 1 28 28 ALA C C 13 179.7140 0.5 . 1 . . . A 28 ALA C . 30192 1 307 . 1 1 28 28 ALA CA C 13 55.3040 0.5 . 1 . . . A 28 ALA CA . 30192 1 308 . 1 1 28 28 ALA CB C 13 17.7850 0.5 . 1 . . . A 28 ALA CB . 30192 1 309 . 1 1 28 28 ALA N N 15 122.6940 0.5 . 1 . . . A 28 ALA N . 30192 1 310 . 1 1 29 29 LYS H H 1 8.2350 0.04 . 1 . . . A 29 LYS H . 30192 1 311 . 1 1 29 29 LYS HA H 1 4.1350 0.04 . 1 . . . A 29 LYS HA . 30192 1 312 . 1 1 29 29 LYS HB2 H 1 1.6500 0.04 . 1 . . . A 29 LYS HB2 . 30192 1 313 . 1 1 29 29 LYS HB3 H 1 1.7900 0.04 . 1 . . . A 29 LYS HB3 . 30192 1 314 . 1 1 29 29 LYS HG2 H 1 1.3850 0.04 . 1 . . . A 29 LYS HG2 . 30192 1 315 . 1 1 29 29 LYS HG3 H 1 1.4800 0.04 . 1 . . . A 29 LYS HG3 . 30192 1 316 . 1 1 29 29 LYS HD2 H 1 1.4870 0.04 . 1 . . . A 29 LYS HD2 . 30192 1 317 . 1 1 29 29 LYS HD3 H 1 1.5100 0.04 . 1 . . . A 29 LYS HD3 . 30192 1 318 . 1 1 29 29 LYS HE2 H 1 2.8930 0.04 . 2 . . . A 29 LYS HE2 . 30192 1 319 . 1 1 29 29 LYS HE3 H 1 2.8930 0.04 . 2 . . . A 29 LYS HE3 . 30192 1 320 . 1 1 29 29 LYS C C 13 182.0330 0.5 . 1 . . . A 29 LYS C . 30192 1 321 . 1 1 29 29 LYS CA C 13 59.5040 0.5 . 1 . . . A 29 LYS CA . 30192 1 322 . 1 1 29 29 LYS CB C 13 32.0450 0.5 . 1 . . . A 29 LYS CB . 30192 1 323 . 1 1 29 29 LYS CG C 13 25.3500 0.5 . 1 . . . A 29 LYS CG . 30192 1 324 . 1 1 29 29 LYS CD C 13 29.3750 0.5 . 1 . . . A 29 LYS CD . 30192 1 325 . 1 1 29 29 LYS CE C 13 41.6200 0.5 . 1 . . . A 29 LYS CE . 30192 1 326 . 1 1 29 29 LYS N N 15 118.5080 0.5 . 1 . . . A 29 LYS N . 30192 1 327 . 1 1 30 30 GLU H H 1 8.1250 0.04 . 1 . . . A 30 GLU H . 30192 1 328 . 1 1 30 30 GLU HA H 1 4.0370 0.04 . 1 . . . A 30 GLU HA . 30192 1 329 . 1 1 30 30 GLU HB2 H 1 2.0740 0.04 . 1 . . . A 30 GLU HB2 . 30192 1 330 . 1 1 30 30 GLU HB3 H 1 2.0990 0.04 . 1 . . . A 30 GLU HB3 . 30192 1 331 . 1 1 30 30 GLU HG2 H 1 2.2700 0.04 . 1 . . . A 30 GLU HG2 . 30192 1 332 . 1 1 30 30 GLU HG3 H 1 2.4400 0.04 . 1 . . . A 30 GLU HG3 . 30192 1 333 . 1 1 30 30 GLU C C 13 177.7500 0.5 . 1 . . . A 30 GLU C . 30192 1 334 . 1 1 30 30 GLU CA C 13 58.5460 0.5 . 1 . . . A 30 GLU CA . 30192 1 335 . 1 1 30 30 GLU CB C 13 29.1600 0.5 . 1 . . . A 30 GLU CB . 30192 1 336 . 1 1 30 30 GLU CG C 13 36.2020 0.5 . 1 . . . A 30 GLU CG . 30192 1 337 . 1 1 30 30 GLU N N 15 120.2670 0.5 . 1 . . . A 30 GLU N . 30192 1 338 . 1 1 31 31 ALA H H 1 7.5270 0.04 . 1 . . . A 31 ALA H . 30192 1 339 . 1 1 31 31 ALA HA H 1 4.4000 0.04 . 1 . . . A 31 ALA HA . 30192 1 340 . 1 1 31 31 ALA HB1 H 1 1.4950 0.04 . 1 . . . A 31 ALA HB1 . 30192 1 341 . 1 1 31 31 ALA HB2 H 1 1.4950 0.04 . 1 . . . A 31 ALA HB2 . 30192 1 342 . 1 1 31 31 ALA HB3 H 1 1.4950 0.04 . 1 . . . A 31 ALA HB3 . 30192 1 343 . 1 1 31 31 ALA C C 13 176.4740 0.5 . 1 . . . A 31 ALA C . 30192 1 344 . 1 1 31 31 ALA CA C 13 51.3690 0.5 . 1 . . . A 31 ALA CA . 30192 1 345 . 1 1 31 31 ALA CB C 13 18.5980 0.5 . 1 . . . A 31 ALA CB . 30192 1 346 . 1 1 31 31 ALA N N 15 119.4560 0.5 . 1 . . . A 31 ALA N . 30192 1 347 . 1 1 32 32 ASN H H 1 8.0060 0.04 . 1 . . . A 32 ASN H . 30192 1 348 . 1 1 32 32 ASN HA H 1 4.3590 0.04 . 1 . . . A 32 ASN HA . 30192 1 349 . 1 1 32 32 ASN HB2 H 1 3.1580 0.04 . 1 . . . A 32 ASN HB2 . 30192 1 350 . 1 1 32 32 ASN HB3 H 1 2.7930 0.04 . 1 . . . A 32 ASN HB3 . 30192 1 351 . 1 1 32 32 ASN C C 13 174.5890 0.5 . 1 . . . A 32 ASN C . 30192 1 352 . 1 1 32 32 ASN CA C 13 54.1850 0.5 . 1 . . . A 32 ASN CA . 30192 1 353 . 1 1 32 32 ASN CB C 13 37.0090 0.5 . 1 . . . A 32 ASN CB . 30192 1 354 . 1 1 32 32 ASN N N 15 114.5440 0.5 . 1 . . . A 32 ASN N . 30192 1 355 . 1 1 33 33 ILE H H 1 8.1610 0.04 . 1 . . . A 33 ILE H . 30192 1 356 . 1 1 33 33 ILE HA H 1 4.3100 0.04 . 1 . . . A 33 ILE HA . 30192 1 357 . 1 1 33 33 ILE HB H 1 1.7700 0.04 . 1 . . . A 33 ILE HB . 30192 1 358 . 1 1 33 33 ILE HG12 H 1 1.2440 0.04 . 1 . . . A 33 ILE HG12 . 30192 1 359 . 1 1 33 33 ILE HG13 H 1 1.5470 0.04 . 1 . . . A 33 ILE HG13 . 30192 1 360 . 1 1 33 33 ILE HG21 H 1 1.0210 0.04 . 1 . . . A 33 ILE HG21 . 30192 1 361 . 1 1 33 33 ILE HG22 H 1 1.0210 0.04 . 1 . . . A 33 ILE HG22 . 30192 1 362 . 1 1 33 33 ILE HG23 H 1 1.0210 0.04 . 1 . . . A 33 ILE HG23 . 30192 1 363 . 1 1 33 33 ILE HD11 H 1 0.8300 0.04 . 1 . . . A 33 ILE HD11 . 30192 1 364 . 1 1 33 33 ILE HD12 H 1 0.8300 0.04 . 1 . . . A 33 ILE HD12 . 30192 1 365 . 1 1 33 33 ILE HD13 H 1 0.8300 0.04 . 1 . . . A 33 ILE HD13 . 30192 1 366 . 1 1 33 33 ILE C C 13 175.8000 0.5 . 1 . . . A 33 ILE C . 30192 1 367 . 1 1 33 33 ILE CA C 13 60.0350 0.5 . 1 . . . A 33 ILE CA . 30192 1 368 . 1 1 33 33 ILE CB C 13 38.6400 0.5 . 1 . . . A 33 ILE CB . 30192 1 369 . 1 1 33 33 ILE CG1 C 13 27.2650 0.5 . 1 . . . A 33 ILE CG1 . 30192 1 370 . 1 1 33 33 ILE CG2 C 13 17.5150 0.5 . 1 . . . A 33 ILE CG2 . 30192 1 371 . 1 1 33 33 ILE CD1 C 13 12.8770 0.5 . 1 . . . A 33 ILE CD1 . 30192 1 372 . 1 1 33 33 ILE N N 15 119.7730 0.5 . 1 . . . A 33 ILE N . 30192 1 373 . 1 1 34 34 SER H H 1 8.6780 0.04 . 1 . . . A 34 SER H . 30192 1 374 . 1 1 34 34 SER HA H 1 4.9500 0.04 . 1 . . . A 34 SER HA . 30192 1 375 . 1 1 34 34 SER HB2 H 1 4.0090 0.04 . 1 . . . A 34 SER HB2 . 30192 1 376 . 1 1 34 34 SER HB3 H 1 4.3140 0.04 . 1 . . . A 34 SER HB3 . 30192 1 377 . 1 1 34 34 SER C C 13 174.4340 0.5 . 1 . . . A 34 SER C . 30192 1 378 . 1 1 34 34 SER CA C 13 55.4310 0.5 . 1 . . . A 34 SER CA . 30192 1 379 . 1 1 34 34 SER CB C 13 63.8270 0.5 . 1 . . . A 34 SER CB . 30192 1 380 . 1 1 34 34 SER N N 15 123.3040 0.5 . 1 . . . A 34 SER N . 30192 1 381 . 1 1 35 35 PRO HA H 1 3.5830 0.04 . 1 . . . A 35 PRO HA . 30192 1 382 . 1 1 35 35 PRO HB2 H 1 1.2070 0.04 . 1 . . . A 35 PRO HB2 . 30192 1 383 . 1 1 35 35 PRO HB3 H 1 1.5550 0.04 . 1 . . . A 35 PRO HB3 . 30192 1 384 . 1 1 35 35 PRO HG2 H 1 0.4800 0.04 . 1 . . . A 35 PRO HG2 . 30192 1 385 . 1 1 35 35 PRO HG3 H 1 1.5270 0.04 . 1 . . . A 35 PRO HG3 . 30192 1 386 . 1 1 35 35 PRO HD2 H 1 3.8360 0.04 . 1 . . . A 35 PRO HD2 . 30192 1 387 . 1 1 35 35 PRO HD3 H 1 3.7500 0.04 . 1 . . . A 35 PRO HD3 . 30192 1 388 . 1 1 35 35 PRO C C 13 178.2250 0.5 . 1 . . . A 35 PRO C . 30192 1 389 . 1 1 35 35 PRO CA C 13 65.0860 0.5 . 1 . . . A 35 PRO CA . 30192 1 390 . 1 1 35 35 PRO CB C 13 30.7850 0.5 . 1 . . . A 35 PRO CB . 30192 1 391 . 1 1 35 35 PRO CG C 13 26.0880 0.5 . 1 . . . A 35 PRO CG . 30192 1 392 . 1 1 35 35 PRO CD C 13 50.0580 0.5 . 1 . . . A 35 PRO CD . 30192 1 393 . 1 1 36 36 GLU H H 1 8.1500 0.04 . 1 . . . A 36 GLU H . 30192 1 394 . 1 1 36 36 GLU HA H 1 3.9130 0.04 . 1 . . . A 36 GLU HA . 30192 1 395 . 1 1 36 36 GLU HB2 H 1 1.8850 0.04 . 1 . . . A 36 GLU HB2 . 30192 1 396 . 1 1 36 36 GLU HB3 H 1 2.0140 0.04 . 1 . . . A 36 GLU HB3 . 30192 1 397 . 1 1 36 36 GLU HG2 H 1 2.2430 0.04 . 2 . . . A 36 GLU HG2 . 30192 1 398 . 1 1 36 36 GLU HG3 H 1 2.2430 0.04 . 2 . . . A 36 GLU HG3 . 30192 1 399 . 1 1 36 36 GLU C C 13 179.1900 0.5 . 1 . . . A 36 GLU C . 30192 1 400 . 1 1 36 36 GLU CA C 13 58.9520 0.5 . 1 . . . A 36 GLU CA . 30192 1 401 . 1 1 36 36 GLU CB C 13 28.8900 0.5 . 1 . . . A 36 GLU CB . 30192 1 402 . 1 1 36 36 GLU CG C 13 35.6600 0.5 . 1 . . . A 36 GLU CG . 30192 1 403 . 1 1 36 36 GLU N N 15 115.9960 0.5 . 1 . . . A 36 GLU N . 30192 1 404 . 1 1 37 37 GLU H H 1 7.7340 0.04 . 1 . . . A 37 GLU H . 30192 1 405 . 1 1 37 37 GLU HA H 1 4.0240 0.04 . 1 . . . A 37 GLU HA . 30192 1 406 . 1 1 37 37 GLU HB2 H 1 2.1700 0.04 . 1 . . . A 37 GLU HB2 . 30192 1 407 . 1 1 37 37 GLU HB3 H 1 2.3280 0.04 . 1 . . . A 37 GLU HB3 . 30192 1 408 . 1 1 37 37 GLU HG2 H 1 2.3800 0.04 . 2 . . . A 37 GLU HG2 . 30192 1 409 . 1 1 37 37 GLU HG3 H 1 2.3800 0.04 . 2 . . . A 37 GLU HG3 . 30192 1 410 . 1 1 37 37 GLU C C 13 179.7160 0.5 . 1 . . . A 37 GLU C . 30192 1 411 . 1 1 37 37 GLU CA C 13 58.8170 0.5 . 1 . . . A 37 GLU CA . 30192 1 412 . 1 1 37 37 GLU CB C 13 29.1600 0.5 . 1 . . . A 37 GLU CB . 30192 1 413 . 1 1 37 37 GLU CG C 13 36.6080 0.5 . 1 . . . A 37 GLU CG . 30192 1 414 . 1 1 37 37 GLU N N 15 119.3920 0.5 . 1 . . . A 37 GLU N . 30192 1 415 . 1 1 38 38 ILE H H 1 7.3580 0.04 . 1 . . . A 38 ILE H . 30192 1 416 . 1 1 38 38 ILE HA H 1 3.5130 0.04 . 1 . . . A 38 ILE HA . 30192 1 417 . 1 1 38 38 ILE HB H 1 1.9500 0.04 . 1 . . . A 38 ILE HB . 30192 1 418 . 1 1 38 38 ILE HG12 H 1 0.9390 0.04 . 1 . . . A 38 ILE HG12 . 30192 1 419 . 1 1 38 38 ILE HG13 H 1 1.7530 0.04 . 1 . . . A 38 ILE HG13 . 30192 1 420 . 1 1 38 38 ILE HG21 H 1 0.9090 0.04 . 1 . . . A 38 ILE HG21 . 30192 1 421 . 1 1 38 38 ILE HG22 H 1 0.9090 0.04 . 1 . . . A 38 ILE HG22 . 30192 1 422 . 1 1 38 38 ILE HG23 H 1 0.9090 0.04 . 1 . . . A 38 ILE HG23 . 30192 1 423 . 1 1 38 38 ILE HD11 H 1 0.8760 0.04 . 1 . . . A 38 ILE HD11 . 30192 1 424 . 1 1 38 38 ILE HD12 H 1 0.8760 0.04 . 1 . . . A 38 ILE HD12 . 30192 1 425 . 1 1 38 38 ILE HD13 H 1 0.8760 0.04 . 1 . . . A 38 ILE HD13 . 30192 1 426 . 1 1 38 38 ILE C C 13 177.8930 0.5 . 1 . . . A 38 ILE C . 30192 1 427 . 1 1 38 38 ILE CA C 13 64.3690 0.5 . 1 . . . A 38 ILE CA . 30192 1 428 . 1 1 38 38 ILE CB C 13 36.4730 0.5 . 1 . . . A 38 ILE CB . 30192 1 429 . 1 1 38 38 ILE CG1 C 13 28.8600 0.5 . 1 . . . A 38 ILE CG1 . 30192 1 430 . 1 1 38 38 ILE CG2 C 13 18.0600 0.5 . 1 . . . A 38 ILE CG2 . 30192 1 431 . 1 1 38 38 ILE CD1 C 13 13.2500 0.5 . 1 . . . A 38 ILE CD1 . 30192 1 432 . 1 1 38 38 ILE N N 15 119.1570 0.5 . 1 . . . A 38 ILE N . 30192 1 433 . 1 1 39 39 ARG H H 1 8.5020 0.04 . 1 . . . A 39 ARG H . 30192 1 434 . 1 1 39 39 ARG HA H 1 3.6330 0.04 . 1 . . . A 39 ARG HA . 30192 1 435 . 1 1 39 39 ARG HB2 H 1 1.7830 0.04 . 2 . . . A 39 ARG HB2 . 30192 1 436 . 1 1 39 39 ARG HB3 H 1 1.7830 0.04 . 2 . . . A 39 ARG HB3 . 30192 1 437 . 1 1 39 39 ARG HG2 H 1 1.4130 0.04 . 1 . . . A 39 ARG HG2 . 30192 1 438 . 1 1 39 39 ARG HG3 H 1 1.5980 0.04 . 1 . . . A 39 ARG HG3 . 30192 1 439 . 1 1 39 39 ARG HD2 H 1 3.1040 0.04 . 1 . . . A 39 ARG HD2 . 30192 1 440 . 1 1 39 39 ARG HD3 H 1 3.1740 0.04 . 1 . . . A 39 ARG HD3 . 30192 1 441 . 1 1 39 39 ARG C C 13 178.5920 0.5 . 1 . . . A 39 ARG C . 30192 1 442 . 1 1 39 39 ARG CA C 13 60.3060 0.5 . 1 . . . A 39 ARG CA . 30192 1 443 . 1 1 39 39 ARG CB C 13 29.8180 0.5 . 1 . . . A 39 ARG CB . 30192 1 444 . 1 1 39 39 ARG CG C 13 29.0420 0.5 . 1 . . . A 39 ARG CG . 30192 1 445 . 1 1 39 39 ARG CD C 13 42.4310 0.5 . 1 . . . A 39 ARG CD . 30192 1 446 . 1 1 39 39 ARG N N 15 120.0860 0.5 . 1 . . . A 39 ARG N . 30192 1 447 . 1 1 40 40 LYS H H 1 7.7250 0.04 . 1 . . . A 40 LYS H . 30192 1 448 . 1 1 40 40 LYS HA H 1 3.9090 0.04 . 1 . . . A 40 LYS HA . 30192 1 449 . 1 1 40 40 LYS HB2 H 1 1.8490 0.04 . 2 . . . A 40 LYS HB2 . 30192 1 450 . 1 1 40 40 LYS HB3 H 1 1.8490 0.04 . 2 . . . A 40 LYS HB3 . 30192 1 451 . 1 1 40 40 LYS HG2 H 1 1.3320 0.04 . 1 . . . A 40 LYS HG2 . 30192 1 452 . 1 1 40 40 LYS HG3 H 1 1.5500 0.04 . 1 . . . A 40 LYS HG3 . 30192 1 453 . 1 1 40 40 LYS HD2 H 1 1.6600 0.04 . 2 . . . A 40 LYS HD2 . 30192 1 454 . 1 1 40 40 LYS HD3 H 1 1.6600 0.04 . 2 . . . A 40 LYS HD3 . 30192 1 455 . 1 1 40 40 LYS HE2 H 1 2.9190 0.04 . 2 . . . A 40 LYS HE2 . 30192 1 456 . 1 1 40 40 LYS HE3 H 1 2.9190 0.04 . 2 . . . A 40 LYS HE3 . 30192 1 457 . 1 1 40 40 LYS C C 13 179.0650 0.5 . 1 . . . A 40 LYS C . 30192 1 458 . 1 1 40 40 LYS CA C 13 59.5380 0.5 . 1 . . . A 40 LYS CA . 30192 1 459 . 1 1 40 40 LYS CB C 13 31.8690 0.5 . 1 . . . A 40 LYS CB . 30192 1 460 . 1 1 40 40 LYS CG C 13 24.8690 0.5 . 1 . . . A 40 LYS CG . 30192 1 461 . 1 1 40 40 LYS CD C 13 28.9830 0.5 . 1 . . . A 40 LYS CD . 30192 1 462 . 1 1 40 40 LYS CE C 13 41.6380 0.5 . 1 . . . A 40 LYS CE . 30192 1 463 . 1 1 40 40 LYS N N 15 117.1480 0.5 . 1 . . . A 40 LYS N . 30192 1 464 . 1 1 41 41 TYR H H 1 7.3940 0.04 . 1 . . . A 41 TYR H . 30192 1 465 . 1 1 41 41 TYR HA H 1 4.0550 0.04 . 1 . . . A 41 TYR HA . 30192 1 466 . 1 1 41 41 TYR HB2 H 1 2.7520 0.04 . 1 . . . A 41 TYR HB2 . 30192 1 467 . 1 1 41 41 TYR HB3 H 1 2.8670 0.04 . 1 . . . A 41 TYR HB3 . 30192 1 468 . 1 1 41 41 TYR HD1 H 1 6.6750 0.04 . 3 . . . A 41 TYR HD1 . 30192 1 469 . 1 1 41 41 TYR HD2 H 1 6.6750 0.04 . 3 . . . A 41 TYR HD2 . 30192 1 470 . 1 1 41 41 TYR HE1 H 1 6.6550 0.04 . 3 . . . A 41 TYR HE1 . 30192 1 471 . 1 1 41 41 TYR HE2 H 1 6.6550 0.04 . 3 . . . A 41 TYR HE2 . 30192 1 472 . 1 1 41 41 TYR C C 13 178.0530 0.5 . 1 . . . A 41 TYR C . 30192 1 473 . 1 1 41 41 TYR CA C 13 60.5770 0.5 . 1 . . . A 41 TYR CA . 30192 1 474 . 1 1 41 41 TYR CB C 13 37.8270 0.5 . 1 . . . A 41 TYR CB . 30192 1 475 . 1 1 41 41 TYR CD1 C 13 132.5220 0.5 . 1 . . . A 41 TYR CD1 . 30192 1 476 . 1 1 41 41 TYR CD2 C 13 132.5220 0.5 . 1 . . . A 41 TYR CD2 . 30192 1 477 . 1 1 41 41 TYR CE1 C 13 117.5220 0.5 . 1 . . . A 41 TYR CE1 . 30192 1 478 . 1 1 41 41 TYR CE2 C 13 117.5220 0.5 . 1 . . . A 41 TYR CE2 . 30192 1 479 . 1 1 41 41 TYR N N 15 118.8480 0.5 . 1 . . . A 41 TYR N . 30192 1 480 . 1 1 42 42 LEU H H 1 8.0390 0.04 . 1 . . . A 42 LEU H . 30192 1 481 . 1 1 42 42 LEU HA H 1 3.8300 0.04 . 1 . . . A 42 LEU HA . 30192 1 482 . 1 1 42 42 LEU HB2 H 1 1.3920 0.04 . 1 . . . A 42 LEU HB2 . 30192 1 483 . 1 1 42 42 LEU HB3 H 1 1.8280 0.04 . 1 . . . A 42 LEU HB3 . 30192 1 484 . 1 1 42 42 LEU HG H 1 1.9510 0.04 . 1 . . . A 42 LEU HG . 30192 1 485 . 1 1 42 42 LEU HD11 H 1 0.8330 0.04 . 2 . . . A 42 LEU HD11 . 30192 1 486 . 1 1 42 42 LEU HD12 H 1 0.8330 0.04 . 2 . . . A 42 LEU HD12 . 30192 1 487 . 1 1 42 42 LEU HD13 H 1 0.8330 0.04 . 2 . . . A 42 LEU HD13 . 30192 1 488 . 1 1 42 42 LEU HD21 H 1 0.8310 0.04 . 2 . . . A 42 LEU HD21 . 30192 1 489 . 1 1 42 42 LEU HD22 H 1 0.8310 0.04 . 2 . . . A 42 LEU HD22 . 30192 1 490 . 1 1 42 42 LEU HD23 H 1 0.8310 0.04 . 2 . . . A 42 LEU HD23 . 30192 1 491 . 1 1 42 42 LEU C C 13 178.2380 0.5 . 1 . . . A 42 LEU C . 30192 1 492 . 1 1 42 42 LEU CA C 13 56.5150 0.5 . 1 . . . A 42 LEU CA . 30192 1 493 . 1 1 42 42 LEU CB C 13 41.3840 0.5 . 1 . . . A 42 LEU CB . 30192 1 494 . 1 1 42 42 LEU CG C 13 26.1810 0.5 . 1 . . . A 42 LEU CG . 30192 1 495 . 1 1 42 42 LEU CD1 C 13 22.6350 0.5 . 1 . . . A 42 LEU CD1 . 30192 1 496 . 1 1 42 42 LEU CD2 C 13 25.6400 0.5 . 1 . . . A 42 LEU CD2 . 30192 1 497 . 1 1 42 42 LEU N N 15 117.4130 0.5 . 1 . . . A 42 LEU N . 30192 1 498 . 1 1 43 43 LEU H H 1 7.7560 0.04 . 1 . . . A 43 LEU H . 30192 1 499 . 1 1 43 43 LEU HA H 1 4.0030 0.04 . 1 . . . A 43 LEU HA . 30192 1 500 . 1 1 43 43 LEU HB2 H 1 1.5800 0.04 . 1 . . . A 43 LEU HB2 . 30192 1 501 . 1 1 43 43 LEU HB3 H 1 1.8060 0.04 . 1 . . . A 43 LEU HB3 . 30192 1 502 . 1 1 43 43 LEU HG H 1 1.6010 0.04 . 1 . . . A 43 LEU HG . 30192 1 503 . 1 1 43 43 LEU HD11 H 1 0.8300 0.04 . 2 . . . A 43 LEU HD11 . 30192 1 504 . 1 1 43 43 LEU HD12 H 1 0.8300 0.04 . 2 . . . A 43 LEU HD12 . 30192 1 505 . 1 1 43 43 LEU HD13 H 1 0.8300 0.04 . 2 . . . A 43 LEU HD13 . 30192 1 506 . 1 1 43 43 LEU HD21 H 1 0.8440 0.04 . 2 . . . A 43 LEU HD21 . 30192 1 507 . 1 1 43 43 LEU HD22 H 1 0.8440 0.04 . 2 . . . A 43 LEU HD22 . 30192 1 508 . 1 1 43 43 LEU HD23 H 1 0.8440 0.04 . 2 . . . A 43 LEU HD23 . 30192 1 509 . 1 1 43 43 LEU C C 13 179.0350 0.5 . 1 . . . A 43 LEU C . 30192 1 510 . 1 1 43 43 LEU CA C 13 56.5150 0.5 . 1 . . . A 43 LEU CA . 30192 1 511 . 1 1 43 43 LEU CB C 13 40.8060 0.5 . 1 . . . A 43 LEU CB . 30192 1 512 . 1 1 43 43 LEU CG C 13 26.7230 0.5 . 1 . . . A 43 LEU CG . 30192 1 513 . 1 1 43 43 LEU CD1 C 13 23.2240 0.5 . 1 . . . A 43 LEU CD1 . 30192 1 514 . 1 1 43 43 LEU CD2 C 13 24.5560 0.5 . 1 . . . A 43 LEU CD2 . 30192 1 515 . 1 1 43 43 LEU N N 15 117.0280 0.5 . 1 . . . A 43 LEU N . 30192 1 516 . 1 1 44 44 LEU H H 1 7.5840 0.04 . 1 . . . A 44 LEU H . 30192 1 517 . 1 1 44 44 LEU HA H 1 4.1620 0.04 . 1 . . . A 44 LEU HA . 30192 1 518 . 1 1 44 44 LEU HB2 H 1 1.5100 0.04 . 1 . . . A 44 LEU HB2 . 30192 1 519 . 1 1 44 44 LEU HB3 H 1 1.5540 0.04 . 1 . . . A 44 LEU HB3 . 30192 1 520 . 1 1 44 44 LEU HG H 1 1.6150 0.04 . 1 . . . A 44 LEU HG . 30192 1 521 . 1 1 44 44 LEU HD11 H 1 0.8300 0.04 . 2 . . . A 44 LEU HD11 . 30192 1 522 . 1 1 44 44 LEU HD12 H 1 0.8300 0.04 . 2 . . . A 44 LEU HD12 . 30192 1 523 . 1 1 44 44 LEU HD13 H 1 0.8300 0.04 . 2 . . . A 44 LEU HD13 . 30192 1 524 . 1 1 44 44 LEU HD21 H 1 0.8060 0.04 . 2 . . . A 44 LEU HD21 . 30192 1 525 . 1 1 44 44 LEU HD22 H 1 0.8060 0.04 . 2 . . . A 44 LEU HD22 . 30192 1 526 . 1 1 44 44 LEU HD23 H 1 0.8060 0.04 . 2 . . . A 44 LEU HD23 . 30192 1 527 . 1 1 44 44 LEU C C 13 178.3350 0.5 . 1 . . . A 44 LEU C . 30192 1 528 . 1 1 44 44 LEU CA C 13 55.9460 0.5 . 1 . . . A 44 LEU CA . 30192 1 529 . 1 1 44 44 LEU CB C 13 41.8900 0.5 . 1 . . . A 44 LEU CB . 30192 1 530 . 1 1 44 44 LEU CG C 13 26.4290 0.5 . 1 . . . A 44 LEU CG . 30192 1 531 . 1 1 44 44 LEU CD1 C 13 24.5560 0.5 . 1 . . . A 44 LEU CD1 . 30192 1 532 . 1 1 44 44 LEU CD2 C 13 22.9430 0.5 . 1 . . . A 44 LEU CD2 . 30192 1 533 . 1 1 44 44 LEU N N 15 118.3640 0.5 . 1 . . . A 44 LEU N . 30192 1 534 . 1 1 45 45 ASN H H 1 7.7450 0.04 . 1 . . . A 45 ASN H . 30192 1 535 . 1 1 45 45 ASN HA H 1 4.5650 0.04 . 1 . . . A 45 ASN HA . 30192 1 536 . 1 1 45 45 ASN HB2 H 1 2.3060 0.04 . 1 . . . A 45 ASN HB2 . 30192 1 537 . 1 1 45 45 ASN HB3 H 1 2.6130 0.04 . 1 . . . A 45 ASN HB3 . 30192 1 538 . 1 1 45 45 ASN C C 13 175.3510 0.5 . 1 . . . A 45 ASN C . 30192 1 539 . 1 1 45 45 ASN CA C 13 53.5350 0.5 . 1 . . . A 45 ASN CA . 30192 1 540 . 1 1 45 45 ASN CB C 13 38.9100 0.5 . 1 . . . A 45 ASN CB . 30192 1 541 . 1 1 45 45 ASN N N 15 116.7520 0.5 . 1 . . . A 45 ASN N . 30192 1 542 . 1 1 46 46 LYS H H 1 7.7530 0.04 . 1 . . . A 46 LYS H . 30192 1 543 . 1 1 46 46 LYS HA H 1 4.2200 0.04 . 1 . . . A 46 LYS HA . 30192 1 544 . 1 1 46 46 LYS HB2 H 1 1.7760 0.04 . 2 . . . A 46 LYS HB2 . 30192 1 545 . 1 1 46 46 LYS HB3 H 1 1.7760 0.04 . 2 . . . A 46 LYS HB3 . 30192 1 546 . 1 1 46 46 LYS HG2 H 1 1.4330 0.04 . 2 . . . A 46 LYS HG2 . 30192 1 547 . 1 1 46 46 LYS HG3 H 1 1.4330 0.04 . 2 . . . A 46 LYS HG3 . 30192 1 548 . 1 1 46 46 LYS HD2 H 1 1.6560 0.04 . 2 . . . A 46 LYS HD2 . 30192 1 549 . 1 1 46 46 LYS HD3 H 1 1.6560 0.04 . 2 . . . A 46 LYS HD3 . 30192 1 550 . 1 1 46 46 LYS HE2 H 1 2.9400 0.04 . 2 . . . A 46 LYS HE2 . 30192 1 551 . 1 1 46 46 LYS HE3 H 1 2.9400 0.04 . 2 . . . A 46 LYS HE3 . 30192 1 552 . 1 1 46 46 LYS C C 13 177.2170 0.5 . 1 . . . A 46 LYS C . 30192 1 553 . 1 1 46 46 LYS CA C 13 56.6500 0.5 . 1 . . . A 46 LYS CA . 30192 1 554 . 1 1 46 46 LYS CB C 13 32.1400 0.5 . 1 . . . A 46 LYS CB . 30192 1 555 . 1 1 46 46 LYS CG C 13 24.2850 0.5 . 1 . . . A 46 LYS CG . 30192 1 556 . 1 1 46 46 LYS CD C 13 28.8900 0.5 . 1 . . . A 46 LYS CD . 30192 1 557 . 1 1 46 46 LYS CE C 13 41.6380 0.5 . 1 . . . A 46 LYS CE . 30192 1 558 . 1 1 46 46 LYS N N 15 120.4830 0.5 . 1 . . . A 46 LYS N . 30192 1 559 . 1 1 47 47 LYS H H 1 8.2810 0.04 . 1 . . . A 47 LYS H . 30192 1 560 . 1 1 47 47 LYS HA H 1 4.3400 0.04 . 1 . . . A 47 LYS HA . 30192 1 561 . 1 1 47 47 LYS HB2 H 1 1.8390 0.04 . 2 . . . A 47 LYS HB2 . 30192 1 562 . 1 1 47 47 LYS HB3 H 1 1.8390 0.04 . 2 . . . A 47 LYS HB3 . 30192 1 563 . 1 1 47 47 LYS HG2 H 1 1.4970 0.04 . 2 . . . A 47 LYS HG2 . 30192 1 564 . 1 1 47 47 LYS HG3 H 1 1.4970 0.04 . 2 . . . A 47 LYS HG3 . 30192 1 565 . 1 1 47 47 LYS HD2 H 1 1.6900 0.04 . 2 . . . A 47 LYS HD2 . 30192 1 566 . 1 1 47 47 LYS HD3 H 1 1.6900 0.04 . 2 . . . A 47 LYS HD3 . 30192 1 567 . 1 1 47 47 LYS HE2 H 1 2.9950 0.04 . 2 . . . A 47 LYS HE2 . 30192 1 568 . 1 1 47 47 LYS HE3 H 1 2.9950 0.04 . 2 . . . A 47 LYS HE3 . 30192 1 569 . 1 1 47 47 LYS C C 13 177.2300 0.5 . 1 . . . A 47 LYS C . 30192 1 570 . 1 1 47 47 LYS CA C 13 55.9730 0.5 . 1 . . . A 47 LYS CA . 30192 1 571 . 1 1 47 47 LYS CB C 13 32.8530 0.5 . 1 . . . A 47 LYS CB . 30192 1 572 . 1 1 47 47 LYS CG C 13 24.3300 0.5 . 1 . . . A 47 LYS CG . 30192 1 573 . 1 1 47 47 LYS CD C 13 28.6890 0.5 . 1 . . . A 47 LYS CD . 30192 1 574 . 1 1 47 47 LYS CE C 13 41.6190 0.5 . 1 . . . A 47 LYS CE . 30192 1 575 . 1 1 47 47 LYS N N 15 122.0010 0.5 . 1 . . . A 47 LYS N . 30192 1 576 . 1 1 48 48 SER H H 1 8.1300 0.04 . 1 . . . A 48 SER H . 30192 1 577 . 1 1 48 48 SER HA H 1 4.4200 0.04 . 1 . . . A 48 SER HA . 30192 1 578 . 1 1 48 48 SER HB2 H 1 3.8450 0.04 . 1 . . . A 48 SER HB2 . 30192 1 579 . 1 1 48 48 SER HB3 H 1 3.8870 0.04 . 1 . . . A 48 SER HB3 . 30192 1 580 . 1 1 48 48 SER C C 13 174.5210 0.5 . 1 . . . A 48 SER C . 30192 1 581 . 1 1 48 48 SER CA C 13 57.8690 0.5 . 1 . . . A 48 SER CA . 30192 1 582 . 1 1 48 48 SER CB C 13 63.7290 0.5 . 1 . . . A 48 SER CB . 30192 1 583 . 1 1 48 48 SER N N 15 115.9020 0.5 . 1 . . . A 48 SER N . 30192 1 584 . 1 1 49 49 ALA H H 1 8.1900 0.04 . 1 . . . A 49 ALA H . 30192 1 585 . 1 1 49 49 ALA HA H 1 4.2770 0.04 . 1 . . . A 49 ALA HA . 30192 1 586 . 1 1 49 49 ALA HB1 H 1 1.3120 0.04 . 1 . . . A 49 ALA HB1 . 30192 1 587 . 1 1 49 49 ALA HB2 H 1 1.3120 0.04 . 1 . . . A 49 ALA HB2 . 30192 1 588 . 1 1 49 49 ALA HB3 H 1 1.3120 0.04 . 1 . . . A 49 ALA HB3 . 30192 1 589 . 1 1 49 49 ALA C C 13 177.5370 0.5 . 1 . . . A 49 ALA C . 30192 1 590 . 1 1 49 49 ALA CA C 13 52.1810 0.5 . 1 . . . A 49 ALA CA . 30192 1 591 . 1 1 49 49 ALA CB C 13 19.0430 0.5 . 1 . . . A 49 ALA CB . 30192 1 592 . 1 1 49 49 ALA N N 15 125.1230 0.5 . 1 . . . A 49 ALA N . 30192 1 593 . 1 1 50 50 HIS H H 1 8.2770 0.04 . 1 . . . A 50 HIS H . 30192 1 594 . 1 1 50 50 HIS HA H 1 4.1420 0.04 . 1 . . . A 50 HIS HA . 30192 1 595 . 1 1 50 50 HIS HB2 H 1 2.8500 0.04 . 1 . . . A 50 HIS HB2 . 30192 1 596 . 1 1 50 50 HIS HB3 H 1 3.1150 0.04 . 1 . . . A 50 HIS HB3 . 30192 1 597 . 1 1 50 50 HIS C C 13 173.1260 0.5 . 1 . . . A 50 HIS C . 30192 1 598 . 1 1 50 50 HIS CA C 13 54.6190 0.5 . 1 . . . A 50 HIS CA . 30192 1 599 . 1 1 50 50 HIS CB C 13 31.4630 0.5 . 1 . . . A 50 HIS CB . 30192 1 600 . 1 1 50 50 HIS N N 15 118.0680 0.5 . 1 . . . A 50 HIS N . 30192 1 601 . 1 1 51 51 PRO HA H 1 4.4080 0.04 . 1 . . . A 51 PRO HA . 30192 1 602 . 1 1 51 51 PRO HB2 H 1 1.9390 0.04 . 1 . . . A 51 PRO HB2 . 30192 1 603 . 1 1 51 51 PRO HB3 H 1 2.2800 0.04 . 1 . . . A 51 PRO HB3 . 30192 1 604 . 1 1 51 51 PRO HG2 H 1 2.0120 0.04 . 2 . . . A 51 PRO HG2 . 30192 1 605 . 1 1 51 51 PRO HG3 H 1 2.0120 0.04 . 2 . . . A 51 PRO HG3 . 30192 1 606 . 1 1 51 51 PRO HD2 H 1 3.6360 0.04 . 2 . . . A 51 PRO HD2 . 30192 1 607 . 1 1 51 51 PRO HD3 H 1 3.6360 0.04 . 2 . . . A 51 PRO HD3 . 30192 1 608 . 1 1 51 51 PRO C C 13 177.6360 0.5 . 1 . . . A 51 PRO C . 30192 1 609 . 1 1 51 51 PRO CA C 13 62.8790 0.5 . 1 . . . A 51 PRO CA . 30192 1 610 . 1 1 51 51 PRO CB C 13 31.8690 0.5 . 1 . . . A 51 PRO CB . 30192 1 611 . 1 1 51 51 PRO CG C 13 26.7780 0.5 . 1 . . . A 51 PRO CG . 30192 1 612 . 1 1 51 51 PRO CD C 13 49.4730 0.5 . 1 . . . A 51 PRO CD . 30192 1 613 . 1 1 52 52 GLY H H 1 8.3650 0.04 . 1 . . . A 52 GLY H . 30192 1 614 . 1 1 52 52 GLY HA2 H 1 4.0650 0.04 . 1 . . . A 52 GLY HA2 . 30192 1 615 . 1 1 52 52 GLY HA3 H 1 4.1580 0.04 . 1 . . . A 52 GLY HA3 . 30192 1 616 . 1 1 52 52 GLY C C 13 172.2210 0.5 . 1 . . . A 52 GLY C . 30192 1 617 . 1 1 52 52 GLY CA C 13 44.0560 0.5 . 1 . . . A 52 GLY CA . 30192 1 618 . 1 1 52 52 GLY N N 15 109.3620 0.5 . 1 . . . A 52 GLY N . 30192 1 619 . 1 1 53 53 PRO HA H 1 4.6100 0.04 . 1 . . . A 53 PRO HA . 30192 1 620 . 1 1 53 53 PRO HB2 H 1 2.1380 0.04 . 1 . . . A 53 PRO HB2 . 30192 1 621 . 1 1 53 53 PRO HB3 H 1 2.3930 0.04 . 1 . . . A 53 PRO HB3 . 30192 1 622 . 1 1 53 53 PRO HG2 H 1 1.8450 0.04 . 1 . . . A 53 PRO HG2 . 30192 1 623 . 1 1 53 53 PRO HG3 H 1 1.9380 0.04 . 1 . . . A 53 PRO HG3 . 30192 1 624 . 1 1 53 53 PRO HD2 H 1 3.5070 0.04 . 1 . . . A 53 PRO HD2 . 30192 1 625 . 1 1 53 53 PRO HD3 H 1 3.6820 0.04 . 1 . . . A 53 PRO HD3 . 30192 1 626 . 1 1 53 53 PRO C C 13 176.7000 0.5 . 1 . . . A 53 PRO C . 30192 1 627 . 1 1 53 53 PRO CA C 13 61.9310 0.5 . 1 . . . A 53 PRO CA . 30192 1 628 . 1 1 53 53 PRO CB C 13 34.3060 0.5 . 1 . . . A 53 PRO CB . 30192 1 629 . 1 1 53 53 PRO CG C 13 24.2850 0.5 . 1 . . . A 53 PRO CG . 30192 1 630 . 1 1 53 53 PRO CD C 13 50.0150 0.5 . 1 . . . A 53 PRO CD . 30192 1 631 . 1 1 54 54 ALA H H 1 8.3450 0.04 . 1 . . . A 54 ALA H . 30192 1 632 . 1 1 54 54 ALA HA H 1 4.2690 0.04 . 1 . . . A 54 ALA HA . 30192 1 633 . 1 1 54 54 ALA HB1 H 1 1.3520 0.04 . 1 . . . A 54 ALA HB1 . 30192 1 634 . 1 1 54 54 ALA HB2 H 1 1.3520 0.04 . 1 . . . A 54 ALA HB2 . 30192 1 635 . 1 1 54 54 ALA HB3 H 1 1.3520 0.04 . 1 . . . A 54 ALA HB3 . 30192 1 636 . 1 1 54 54 ALA C C 13 177.3720 0.5 . 1 . . . A 54 ALA C . 30192 1 637 . 1 1 54 54 ALA CA C 13 51.9710 0.5 . 1 . . . A 54 ALA CA . 30192 1 638 . 1 1 54 54 ALA CB C 13 18.9240 0.5 . 1 . . . A 54 ALA CB . 30192 1 639 . 1 1 54 54 ALA N N 15 123.8720 0.5 . 1 . . . A 54 ALA N . 30192 1 640 . 1 1 55 55 ALA H H 1 8.1820 0.04 . 1 . . . A 55 ALA H . 30192 1 641 . 1 1 55 55 ALA HA H 1 4.2490 0.04 . 1 . . . A 55 ALA HA . 30192 1 642 . 1 1 55 55 ALA HB1 H 1 1.3370 0.04 . 1 . . . A 55 ALA HB1 . 30192 1 643 . 1 1 55 55 ALA HB2 H 1 1.3370 0.04 . 1 . . . A 55 ALA HB2 . 30192 1 644 . 1 1 55 55 ALA HB3 H 1 1.3370 0.04 . 1 . . . A 55 ALA HB3 . 30192 1 645 . 1 1 55 55 ALA C C 13 177.0960 0.5 . 1 . . . A 55 ALA C . 30192 1 646 . 1 1 55 55 ALA CA C 13 52.5930 0.5 . 1 . . . A 55 ALA CA . 30192 1 647 . 1 1 55 55 ALA CB C 13 19.0790 0.5 . 1 . . . A 55 ALA CB . 30192 1 648 . 1 1 55 55 ALA N N 15 123.7270 0.5 . 1 . . . A 55 ALA N . 30192 1 649 . 1 1 56 56 ARG H H 1 7.8420 0.04 . 1 . . . A 56 ARG H . 30192 1 650 . 1 1 56 56 ARG HA H 1 4.1130 0.04 . 1 . . . A 56 ARG HA . 30192 1 651 . 1 1 56 56 ARG HB2 H 1 1.7900 0.04 . 2 . . . A 56 ARG HB2 . 30192 1 652 . 1 1 56 56 ARG HB3 H 1 1.7900 0.04 . 2 . . . A 56 ARG HB3 . 30192 1 653 . 1 1 56 56 ARG HG2 H 1 1.6490 0.04 . 1 . . . A 56 ARG HG2 . 30192 1 654 . 1 1 56 56 ARG HG3 H 1 1.5440 0.04 . 1 . . . A 56 ARG HG3 . 30192 1 655 . 1 1 56 56 ARG HD2 H 1 3.1410 0.04 . 2 . . . A 56 ARG HD2 . 30192 1 656 . 1 1 56 56 ARG HD3 H 1 3.1410 0.04 . 2 . . . A 56 ARG HD3 . 30192 1 657 . 1 1 56 56 ARG C C 13 181.4140 0.5 . 1 . . . A 56 ARG C . 30192 1 658 . 1 1 56 56 ARG CA C 13 56.7850 0.5 . 1 . . . A 56 ARG CA . 30192 1 659 . 1 1 56 56 ARG CB C 13 31.4120 0.5 . 1 . . . A 56 ARG CB . 30192 1 660 . 1 1 56 56 ARG CG C 13 26.7230 0.5 . 1 . . . A 56 ARG CG . 30192 1 661 . 1 1 56 56 ARG CD C 13 42.9730 0.5 . 1 . . . A 56 ARG CD . 30192 1 662 . 1 1 56 56 ARG N N 15 125.1040 0.5 . 1 . . . A 56 ARG N . 30192 1 663 . 1 1 57 57 SER HA H 1 3.7150 0.04 . 1 . . . A 57 SER HA . 30192 1 664 . 1 1 57 57 SER HB2 H 1 3.6880 0.04 . 1 . . . A 57 SER HB2 . 30192 1 665 . 1 1 57 57 SER HB3 H 1 4.0380 0.04 . 1 . . . A 57 SER HB3 . 30192 1 666 . 1 1 57 57 SER CA C 13 64.3690 0.5 . 1 . . . A 57 SER CA . 30192 1 667 . 1 1 57 57 SER CB C 13 63.5560 0.5 . 1 . . . A 57 SER CB . 30192 1 668 . 1 1 58 58 HIS HA H 1 4.7000 0.04 . 1 . . . A 58 HIS HA . 30192 1 669 . 1 1 58 58 HIS HB2 H 1 3.0110 0.04 . 1 . . . A 58 HIS HB2 . 30192 1 670 . 1 1 58 58 HIS HB3 H 1 3.0600 0.04 . 1 . . . A 58 HIS HB3 . 30192 1 671 . 1 1 58 58 HIS CA C 13 53.2650 0.5 . 1 . . . A 58 HIS CA . 30192 1 672 . 1 1 58 58 HIS CB C 13 31.0560 0.5 . 1 . . . A 58 HIS CB . 30192 1 673 . 1 1 59 59 THR HB H 1 3.8310 0.04 . 1 . . . A 59 THR HB . 30192 1 674 . 1 1 59 59 THR CB C 13 67.6410 0.5 . 1 . . . A 59 THR CB . 30192 1 675 . 1 1 62 62 PRO HA H 1 4.4730 0.04 . 1 . . . A 62 PRO HA . 30192 1 676 . 1 1 62 62 PRO HB2 H 1 1.9960 0.04 . 1 . . . A 62 PRO HB2 . 30192 1 677 . 1 1 62 62 PRO HB3 H 1 2.2770 0.04 . 1 . . . A 62 PRO HB3 . 30192 1 678 . 1 1 62 62 PRO HG2 H 1 1.9860 0.04 . 2 . . . A 62 PRO HG2 . 30192 1 679 . 1 1 62 62 PRO HG3 H 1 1.9860 0.04 . 2 . . . A 62 PRO HG3 . 30192 1 680 . 1 1 62 62 PRO HD2 H 1 3.5170 0.04 . 1 . . . A 62 PRO HD2 . 30192 1 681 . 1 1 62 62 PRO HD3 H 1 3.6850 0.04 . 1 . . . A 62 PRO HD3 . 30192 1 682 . 1 1 62 62 PRO C C 13 175.8800 0.5 . 1 . . . A 62 PRO C . 30192 1 683 . 1 1 62 62 PRO CA C 13 63.2850 0.5 . 1 . . . A 62 PRO CA . 30192 1 684 . 1 1 62 62 PRO CB C 13 31.8690 0.5 . 1 . . . A 62 PRO CB . 30192 1 685 . 1 1 62 62 PRO CG C 13 26.7230 0.5 . 1 . . . A 62 PRO CG . 30192 1 686 . 1 1 62 62 PRO CD C 13 50.2850 0.5 . 1 . . . A 62 PRO CD . 30192 1 687 . 1 1 63 63 PHE H H 1 7.4540 0.04 . 1 . . . A 63 PHE H . 30192 1 688 . 1 1 63 63 PHE HA H 1 4.5870 0.04 . 1 . . . A 63 PHE HA . 30192 1 689 . 1 1 63 63 PHE HB2 H 1 2.9250 0.04 . 1 . . . A 63 PHE HB2 . 30192 1 690 . 1 1 63 63 PHE HB3 H 1 3.0400 0.04 . 1 . . . A 63 PHE HB3 . 30192 1 691 . 1 1 63 63 PHE CA C 13 58.9520 0.5 . 1 . . . A 63 PHE CA . 30192 1 692 . 1 1 63 63 PHE CB C 13 39.7230 0.5 . 1 . . . A 63 PHE CB . 30192 1 693 . 1 1 63 63 PHE N N 15 123.5910 0.5 . 1 . . . A 63 PHE N . 30192 1 stop_ save_