data_36328 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36328 _Entry.Title ; Solution NMR structure of NF2; de novo designed protein with a novel fold ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-23 _Entry.Accession_date 2020-05-07 _Entry.Last_release_date 2020-05-07 _Entry.Original_release_date 2020-05-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 36328 stop_ 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 N. Kobayashi N. . . . 36328 2 T. Sugiki T. . . . 36328 3 T. Fujiwara T. . . . 36328 4 S. Minami S. . . . 36328 5 R. Koga R. . . . 36328 6 G. Chikenji G. . . . 36328 7 N. Koga N. . . . 36328 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 36328 'de novo designed protein' . 36328 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36328 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 301 36328 '15N chemical shifts' 73 36328 '1H chemical shifts' 480 36328 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 2 . . 2023-12-18 2020-03-23 update BMRB 'update entry citation' 36328 1 . . 2022-02-08 2020-03-23 original author 'original release' 36328 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 36327 'Solution NMR structure of NF1; de novo designed protein with a novel fold' 36328 BMRB 36329 'Solution NMR structure of NF7; de novo designed protein with a novel fold' 36328 BMRB 36330 'Solution NMR structure of NF5; de novo designed protein with a novel fold' 36328 BMRB 36331 'Solution NMR structure of NF6; de novo designed protein with a novel fold' 36328 BMRB 36332 'Solution NMR structure of NF4; de novo designed protein with a novel fold' 36328 BMRB 36333 'Solution NMR structure of NF8 (knot fold); de novo designed protein with a novel fold' 36328 BMRB 36334 'Solution NMR structure of NF3; de novo designed protein with a novel fold' 36328 PDB 7BPM . 36328 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36328 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37400653 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Exploration of novel alpha-beta protein folds through de novo design ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 30 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1545-9985 _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 1132 _Citation.Page_last 1140 _Citation.Year 2023 _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 S. Minami S. . . . 36328 1 2 N. Kobayashi N. . . . 36328 1 3 T. Sugiki T. . . . 36328 1 4 T. Nagashima T. . . . 36328 1 5 T. Fujiwara T. . . . 36328 1 6 R. Koga R. . . . 36328 1 7 G. Chikenji G. . . . 36328 1 8 N. Koga N. . . . 36328 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36328 _Assembly.ID 1 _Assembly.Name NF2 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 36328 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36328 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GTEIELESKNGQREHYTATS EDEARKIIEKAVRRGIKRIE LRGASEQLIRDMQEIAKQIG LQYRTDGSLEHHHHHH ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8886.904 _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 . 36328 1 2 2 THR . 36328 1 3 3 GLU . 36328 1 4 4 ILE . 36328 1 5 5 GLU . 36328 1 6 6 LEU . 36328 1 7 7 GLU . 36328 1 8 8 SER . 36328 1 9 9 LYS . 36328 1 10 10 ASN . 36328 1 11 11 GLY . 36328 1 12 12 GLN . 36328 1 13 13 ARG . 36328 1 14 14 GLU . 36328 1 15 15 HIS . 36328 1 16 16 TYR . 36328 1 17 17 THR . 36328 1 18 18 ALA . 36328 1 19 19 THR . 36328 1 20 20 SER . 36328 1 21 21 GLU . 36328 1 22 22 ASP . 36328 1 23 23 GLU . 36328 1 24 24 ALA . 36328 1 25 25 ARG . 36328 1 26 26 LYS . 36328 1 27 27 ILE . 36328 1 28 28 ILE . 36328 1 29 29 GLU . 36328 1 30 30 LYS . 36328 1 31 31 ALA . 36328 1 32 32 VAL . 36328 1 33 33 ARG . 36328 1 34 34 ARG . 36328 1 35 35 GLY . 36328 1 36 36 ILE . 36328 1 37 37 LYS . 36328 1 38 38 ARG . 36328 1 39 39 ILE . 36328 1 40 40 GLU . 36328 1 41 41 LEU . 36328 1 42 42 ARG . 36328 1 43 43 GLY . 36328 1 44 44 ALA . 36328 1 45 45 SER . 36328 1 46 46 GLU . 36328 1 47 47 GLN . 36328 1 48 48 LEU . 36328 1 49 49 ILE . 36328 1 50 50 ARG . 36328 1 51 51 ASP . 36328 1 52 52 MET . 36328 1 53 53 GLN . 36328 1 54 54 GLU . 36328 1 55 55 ILE . 36328 1 56 56 ALA . 36328 1 57 57 LYS . 36328 1 58 58 GLN . 36328 1 59 59 ILE . 36328 1 60 60 GLY . 36328 1 61 61 LEU . 36328 1 62 62 GLN . 36328 1 63 63 TYR . 36328 1 64 64 ARG . 36328 1 65 65 THR . 36328 1 66 66 ASP . 36328 1 67 67 GLY . 36328 1 68 68 SER . 36328 1 69 69 LEU . 36328 1 70 70 GLU . 36328 1 71 71 HIS . 36328 1 72 72 HIS . 36328 1 73 73 HIS . 36328 1 74 74 HIS . 36328 1 75 75 HIS . 36328 1 76 76 HIS . 36328 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 36328 1 . THR 2 2 36328 1 . GLU 3 3 36328 1 . ILE 4 4 36328 1 . GLU 5 5 36328 1 . LEU 6 6 36328 1 . GLU 7 7 36328 1 . SER 8 8 36328 1 . LYS 9 9 36328 1 . ASN 10 10 36328 1 . GLY 11 11 36328 1 . GLN 12 12 36328 1 . ARG 13 13 36328 1 . GLU 14 14 36328 1 . HIS 15 15 36328 1 . TYR 16 16 36328 1 . THR 17 17 36328 1 . ALA 18 18 36328 1 . THR 19 19 36328 1 . SER 20 20 36328 1 . GLU 21 21 36328 1 . ASP 22 22 36328 1 . GLU 23 23 36328 1 . ALA 24 24 36328 1 . ARG 25 25 36328 1 . LYS 26 26 36328 1 . ILE 27 27 36328 1 . ILE 28 28 36328 1 . GLU 29 29 36328 1 . LYS 30 30 36328 1 . ALA 31 31 36328 1 . VAL 32 32 36328 1 . ARG 33 33 36328 1 . ARG 34 34 36328 1 . GLY 35 35 36328 1 . ILE 36 36 36328 1 . LYS 37 37 36328 1 . ARG 38 38 36328 1 . ILE 39 39 36328 1 . GLU 40 40 36328 1 . LEU 41 41 36328 1 . ARG 42 42 36328 1 . GLY 43 43 36328 1 . ALA 44 44 36328 1 . SER 45 45 36328 1 . GLU 46 46 36328 1 . GLN 47 47 36328 1 . LEU 48 48 36328 1 . ILE 49 49 36328 1 . ARG 50 50 36328 1 . ASP 51 51 36328 1 . MET 52 52 36328 1 . GLN 53 53 36328 1 . GLU 54 54 36328 1 . ILE 55 55 36328 1 . ALA 56 56 36328 1 . LYS 57 57 36328 1 . GLN 58 58 36328 1 . ILE 59 59 36328 1 . GLY 60 60 36328 1 . LEU 61 61 36328 1 . GLN 62 62 36328 1 . TYR 63 63 36328 1 . ARG 64 64 36328 1 . THR 65 65 36328 1 . ASP 66 66 36328 1 . GLY 67 67 36328 1 . SER 68 68 36328 1 . LEU 69 69 36328 1 . GLU 70 70 36328 1 . HIS 71 71 36328 1 . HIS 72 72 36328 1 . HIS 73 73 36328 1 . HIS 74 74 36328 1 . HIS 75 75 36328 1 . HIS 76 76 36328 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 36328 _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 . 32630 . . 'synthetic construct' . . . . . synthetic construct . . . . . . . . . . . . . 36328 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 36328 _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' . . 562 Escherichia coli . . . . . . . . . . 36328 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36328 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.9 mM [U-100% 13C; U-100% 15N] NF2, 7.4 mM potassium phosphate, 1.1 mM sodium phosphate, 50 mM sodium chloride, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NF2 '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 0.9 . . mM . . . . 36328 1 2 'potassium phosphate' 'natural abundance' . . . . . . 7.4 . . mM . . . . 36328 1 3 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 36328 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 1.1 . . mM . . . . 36328 1 5 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36328 1 6 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36328 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36328 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.2 mM [U-100% 13C; U-100% 15N] NF2, 7.4 mM potassium phosphate, 1.1 mM sodium phosphate, 50 mM sodium chloride, 8 mg/mL Pf1 phage, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NF2 '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 0.2 . . mM . . . . 36328 2 2 'Pf1 phage' 'natural abundance' . . . . . . 8 . . mg/mL . . . . 36328 2 3 'potassium phosphate' 'natural abundance' . . . . . salt 7.4 . . mM . . . . 36328 2 4 'sodium chloride' 'natural abundance' . . . . . buffer 50 . . mM . . . . 36328 2 5 'sodium phosphate' 'natural abundance' . . . . . protein 1.1 . . mM . . . . 36328 2 6 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36328 2 7 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36328 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 36328 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 58.5 . mM 36328 1 pH 6.0 . pH 36328 1 pressure 1 . atm 36328 1 temperature 303 . K 36328 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36328 _Software.ID 1 _Software.Type . _Software.Name Amber _Software.Version 12 _Software.DOI . _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' . . 36328 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36328 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36328 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.98 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36328 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36328 2 'structure calculation' . 36328 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36328 _Software.ID 3 _Software.Type . _Software.Name MAGRO _Software.Version 2.01.32 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Updated version of Kujira (Kobayashi, N. et al., 2007)' . . 36328 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36328 3 'peak picking' . 36328 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36328 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version 2017 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36328 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36328 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36328 _Software.ID 5 _Software.Type . _Software.Name NMRView _Software.Version 9.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 36328 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36328 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 36328 _Software.ID 6 _Software.Type . _Software.Name TALOS _Software.Version 2017 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 36328 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36328 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 36328 _Software.ID 7 _Software.Type . _Software.Name TopSpin _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36328 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 36328 7 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 36328 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36328 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 36328 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 800 . . . 36328 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 950 . . . 36328 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 36328 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _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 . . . . . . . . . . . . . . . . . 36328 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36328 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36328 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36328 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36328 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36328 1 7 '3D HCCH-TOCSY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36328 1 8 '3D HCCH-TOCSY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36328 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36328 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36328 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36328 1 12 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36328 1 13 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36328 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 36328 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 303K) and then those of 15N and 13C were calculated based on their gyro-magnetic ratios. ; 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 0.251449530 . . . . . 36328 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36328 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36328 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 36328 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36328 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 36328 1 3 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 36328 1 4 '3D HNCO' 1 $sample_1 isotropic 36328 1 5 '3D HNCACB' 1 $sample_1 isotropic 36328 1 6 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36328 1 7 '3D HCCH-TOCSY aliphatic' 1 $sample_1 isotropic 36328 1 8 '3D HCCH-TOCSY aromatic' 1 $sample_1 isotropic 36328 1 9 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36328 1 10 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36328 1 11 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 36328 1 12 '2D 1H-15N HSQC IPAP' 1 $sample_1 isotropic 36328 1 13 '2D 1H-15N HSQC IPAP' 2 $sample_2 anisotropic 36328 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.829 0.030 . 1 . . . . A 1 GLY HA2 . 36328 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.829 0.030 . 1 . . . . A 1 GLY HA3 . 36328 1 3 . 1 . 1 1 1 GLY C C 13 169.671 0.300 . 1 . . . . A 1 GLY C . 36328 1 4 . 1 . 1 1 1 GLY CA C 13 43.634 0.300 . 1 . . . . A 1 GLY CA . 36328 1 5 . 1 . 1 2 2 THR H H 1 8.605 0.030 . 1 . . . . A 2 THR H . 36328 1 6 . 1 . 1 2 2 THR HA H 1 4.711 0.030 . 1 . . . . A 2 THR HA . 36328 1 7 . 1 . 1 2 2 THR HB H 1 3.762 0.030 . 1 . . . . A 2 THR HB . 36328 1 8 . 1 . 1 2 2 THR HG21 H 1 1.056 0.030 . 1 . . . . A 2 THR HG21 . 36328 1 9 . 1 . 1 2 2 THR HG22 H 1 1.056 0.030 . 1 . . . . A 2 THR HG22 . 36328 1 10 . 1 . 1 2 2 THR HG23 H 1 1.056 0.030 . 1 . . . . A 2 THR HG23 . 36328 1 11 . 1 . 1 2 2 THR C C 13 173.459 0.300 . 1 . . . . A 2 THR C . 36328 1 12 . 1 . 1 2 2 THR CA C 13 62.849 0.300 . 1 . . . . A 2 THR CA . 36328 1 13 . 1 . 1 2 2 THR CB C 13 70.787 0.300 . 1 . . . . A 2 THR CB . 36328 1 14 . 1 . 1 2 2 THR CG2 C 13 22.114 0.300 . 1 . . . . A 2 THR CG2 . 36328 1 15 . 1 . 1 2 2 THR N N 15 117.933 0.300 . 1 . . . . A 2 THR N . 36328 1 16 . 1 . 1 3 3 GLU H H 1 8.992 0.030 . 1 . . . . A 3 GLU H . 36328 1 17 . 1 . 1 3 3 GLU HA H 1 5.099 0.030 . 1 . . . . A 3 GLU HA . 36328 1 18 . 1 . 1 3 3 GLU HB2 H 1 2.019 0.030 . 2 . . . . A 3 GLU HB2 . 36328 1 19 . 1 . 1 3 3 GLU HB3 H 1 2.108 0.030 . 2 . . . . A 3 GLU HB3 . 36328 1 20 . 1 . 1 3 3 GLU HG2 H 1 2.375 0.030 . 1 . . . . A 3 GLU HG2 . 36328 1 21 . 1 . 1 3 3 GLU HG3 H 1 2.375 0.030 . 1 . . . . A 3 GLU HG3 . 36328 1 22 . 1 . 1 3 3 GLU C C 13 175.272 0.300 . 1 . . . . A 3 GLU C . 36328 1 23 . 1 . 1 3 3 GLU CA C 13 55.269 0.300 . 1 . . . . A 3 GLU CA . 36328 1 24 . 1 . 1 3 3 GLU CB C 13 31.740 0.300 . 1 . . . . A 3 GLU CB . 36328 1 25 . 1 . 1 3 3 GLU CG C 13 35.725 0.300 . 1 . . . . A 3 GLU CG . 36328 1 26 . 1 . 1 3 3 GLU N N 15 126.846 0.300 . 1 . . . . A 3 GLU N . 36328 1 27 . 1 . 1 4 4 ILE H H 1 9.011 0.030 . 1 . . . . A 4 ILE H . 36328 1 28 . 1 . 1 4 4 ILE HA H 1 4.822 0.030 . 1 . . . . A 4 ILE HA . 36328 1 29 . 1 . 1 4 4 ILE HB H 1 1.787 0.030 . 1 . . . . A 4 ILE HB . 36328 1 30 . 1 . 1 4 4 ILE HG12 H 1 0.894 0.030 . 2 . . . . A 4 ILE HG12 . 36328 1 31 . 1 . 1 4 4 ILE HG13 H 1 1.581 0.030 . 2 . . . . A 4 ILE HG13 . 36328 1 32 . 1 . 1 4 4 ILE HG21 H 1 0.806 0.030 . 1 . . . . A 4 ILE HG21 . 36328 1 33 . 1 . 1 4 4 ILE HG22 H 1 0.806 0.030 . 1 . . . . A 4 ILE HG22 . 36328 1 34 . 1 . 1 4 4 ILE HG23 H 1 0.806 0.030 . 1 . . . . A 4 ILE HG23 . 36328 1 35 . 1 . 1 4 4 ILE HD11 H 1 0.802 0.030 . 1 . . . . A 4 ILE HD11 . 36328 1 36 . 1 . 1 4 4 ILE HD12 H 1 0.802 0.030 . 1 . . . . A 4 ILE HD12 . 36328 1 37 . 1 . 1 4 4 ILE HD13 H 1 0.802 0.030 . 1 . . . . A 4 ILE HD13 . 36328 1 38 . 1 . 1 4 4 ILE C C 13 174.277 0.300 . 1 . . . . A 4 ILE C . 36328 1 39 . 1 . 1 4 4 ILE CA C 13 60.637 0.300 . 1 . . . . A 4 ILE CA . 36328 1 40 . 1 . 1 4 4 ILE CB C 13 41.797 0.300 . 1 . . . . A 4 ILE CB . 36328 1 41 . 1 . 1 4 4 ILE CG1 C 13 27.648 0.300 . 1 . . . . A 4 ILE CG1 . 36328 1 42 . 1 . 1 4 4 ILE CG2 C 13 18.129 0.300 . 1 . . . . A 4 ILE CG2 . 36328 1 43 . 1 . 1 4 4 ILE CD1 C 13 15.394 0.300 . 1 . . . . A 4 ILE CD1 . 36328 1 44 . 1 . 1 4 4 ILE N N 15 123.364 0.300 . 1 . . . . A 4 ILE N . 36328 1 45 . 1 . 1 5 5 GLU H H 1 9.113 0.030 . 1 . . . . A 5 GLU H . 36328 1 46 . 1 . 1 5 5 GLU HA H 1 5.410 0.030 . 1 . . . . A 5 GLU HA . 36328 1 47 . 1 . 1 5 5 GLU HB2 H 1 2.104 0.030 . 1 . . . . A 5 GLU HB2 . 36328 1 48 . 1 . 1 5 5 GLU HB3 H 1 2.104 0.030 . 1 . . . . A 5 GLU HB3 . 36328 1 49 . 1 . 1 5 5 GLU HG2 H 1 2.200 0.030 . 1 . . . . A 5 GLU HG2 . 36328 1 50 . 1 . 1 5 5 GLU HG3 H 1 2.200 0.030 . 1 . . . . A 5 GLU HG3 . 36328 1 51 . 1 . 1 5 5 GLU C C 13 175.116 0.300 . 1 . . . . A 5 GLU C . 36328 1 52 . 1 . 1 5 5 GLU CA C 13 54.753 0.300 . 1 . . . . A 5 GLU CA . 36328 1 53 . 1 . 1 5 5 GLU CB C 13 32.225 0.300 . 1 . . . . A 5 GLU CB . 36328 1 54 . 1 . 1 5 5 GLU N N 15 127.408 0.300 . 1 . . . . A 5 GLU N . 36328 1 55 . 1 . 1 6 6 LEU H H 1 9.073 0.030 . 1 . . . . A 6 LEU H . 36328 1 56 . 1 . 1 6 6 LEU HA H 1 5.228 0.030 . 1 . . . . A 6 LEU HA . 36328 1 57 . 1 . 1 6 6 LEU HB2 H 1 1.562 0.030 . 2 . . . . A 6 LEU HB2 . 36328 1 58 . 1 . 1 6 6 LEU HB3 H 1 1.915 0.030 . 2 . . . . A 6 LEU HB3 . 36328 1 59 . 1 . 1 6 6 LEU HG H 1 1.738 0.030 . 1 . . . . A 6 LEU HG . 36328 1 60 . 1 . 1 6 6 LEU HD11 H 1 0.847 0.030 . 2 . . . . A 6 LEU HD11 . 36328 1 61 . 1 . 1 6 6 LEU HD12 H 1 0.847 0.030 . 2 . . . . A 6 LEU HD12 . 36328 1 62 . 1 . 1 6 6 LEU HD13 H 1 0.847 0.030 . 2 . . . . A 6 LEU HD13 . 36328 1 63 . 1 . 1 6 6 LEU HD21 H 1 0.939 0.030 . 2 . . . . A 6 LEU HD21 . 36328 1 64 . 1 . 1 6 6 LEU HD22 H 1 0.939 0.030 . 2 . . . . A 6 LEU HD22 . 36328 1 65 . 1 . 1 6 6 LEU HD23 H 1 0.939 0.030 . 2 . . . . A 6 LEU HD23 . 36328 1 66 . 1 . 1 6 6 LEU C C 13 175.789 0.300 . 1 . . . . A 6 LEU C . 36328 1 67 . 1 . 1 6 6 LEU CA C 13 53.171 0.300 . 1 . . . . A 6 LEU CA . 36328 1 68 . 1 . 1 6 6 LEU CB C 13 45.100 0.300 . 1 . . . . A 6 LEU CB . 36328 1 69 . 1 . 1 6 6 LEU CG C 13 26.832 0.300 . 1 . . . . A 6 LEU CG . 36328 1 70 . 1 . 1 6 6 LEU CD1 C 13 25.690 0.300 . 2 . . . . A 6 LEU CD1 . 36328 1 71 . 1 . 1 6 6 LEU CD2 C 13 26.467 0.300 . 2 . . . . A 6 LEU CD2 . 36328 1 72 . 1 . 1 6 6 LEU N N 15 123.605 0.300 . 1 . . . . A 6 LEU N . 36328 1 73 . 1 . 1 7 7 GLU H H 1 8.467 0.030 . 1 . . . . A 7 GLU H . 36328 1 74 . 1 . 1 7 7 GLU HA H 1 5.211 0.030 . 1 . . . . A 7 GLU HA . 36328 1 75 . 1 . 1 7 7 GLU HB2 H 1 1.858 0.030 . 2 . . . . A 7 GLU HB2 . 36328 1 76 . 1 . 1 7 7 GLU HB3 H 1 2.053 0.030 . 2 . . . . A 7 GLU HB3 . 36328 1 77 . 1 . 1 7 7 GLU HG2 H 1 2.065 0.030 . 2 . . . . A 7 GLU HG2 . 36328 1 78 . 1 . 1 7 7 GLU HG3 H 1 2.424 0.030 . 2 . . . . A 7 GLU HG3 . 36328 1 79 . 1 . 1 7 7 GLU C C 13 175.891 0.300 . 1 . . . . A 7 GLU C . 36328 1 80 . 1 . 1 7 7 GLU CA C 13 55.011 0.300 . 1 . . . . A 7 GLU CA . 36328 1 81 . 1 . 1 7 7 GLU CB C 13 33.121 0.300 . 1 . . . . A 7 GLU CB . 36328 1 82 . 1 . 1 7 7 GLU CG C 13 36.442 0.300 . 1 . . . . A 7 GLU CG . 36328 1 83 . 1 . 1 7 7 GLU N N 15 122.275 0.300 . 1 . . . . A 7 GLU N . 36328 1 84 . 1 . 1 8 8 SER H H 1 9.109 0.030 . 1 . . . . A 8 SER H . 36328 1 85 . 1 . 1 8 8 SER HA H 1 4.761 0.030 . 1 . . . . A 8 SER HA . 36328 1 86 . 1 . 1 8 8 SER HB2 H 1 4.105 0.030 . 2 . . . . A 8 SER HB2 . 36328 1 87 . 1 . 1 8 8 SER HB3 H 1 4.326 0.030 . 2 . . . . A 8 SER HB3 . 36328 1 88 . 1 . 1 8 8 SER C C 13 175.360 0.300 . 1 . . . . A 8 SER C . 36328 1 89 . 1 . 1 8 8 SER CA C 13 58.272 0.300 . 1 . . . . A 8 SER CA . 36328 1 90 . 1 . 1 8 8 SER CB C 13 64.857 0.300 . 1 . . . . A 8 SER CB . 36328 1 91 . 1 . 1 8 8 SER N N 15 122.941 0.300 . 1 . . . . A 8 SER N . 36328 1 92 . 1 . 1 9 9 LYS H H 1 8.900 0.030 . 1 . . . . A 9 LYS H . 36328 1 93 . 1 . 1 9 9 LYS HA H 1 4.065 0.030 . 1 . . . . A 9 LYS HA . 36328 1 94 . 1 . 1 9 9 LYS HB2 H 1 1.944 0.030 . 1 . . . . A 9 LYS HB2 . 36328 1 95 . 1 . 1 9 9 LYS HB3 H 1 1.944 0.030 . 1 . . . . A 9 LYS HB3 . 36328 1 96 . 1 . 1 9 9 LYS HG2 H 1 1.485 0.030 . 1 . . . . A 9 LYS HG2 . 36328 1 97 . 1 . 1 9 9 LYS HG3 H 1 1.485 0.030 . 1 . . . . A 9 LYS HG3 . 36328 1 98 . 1 . 1 9 9 LYS HD2 H 1 1.480 0.030 . 2 . . . . A 9 LYS HD2 . 36328 1 99 . 1 . 1 9 9 LYS HD3 H 1 1.773 0.030 . 2 . . . . A 9 LYS HD3 . 36328 1 100 . 1 . 1 9 9 LYS HE2 H 1 3.061 0.030 . 1 . . . . A 9 LYS HE2 . 36328 1 101 . 1 . 1 9 9 LYS HE3 H 1 3.061 0.030 . 1 . . . . A 9 LYS HE3 . 36328 1 102 . 1 . 1 9 9 LYS C C 13 176.614 0.300 . 1 . . . . A 9 LYS C . 36328 1 103 . 1 . 1 9 9 LYS CA C 13 59.620 0.300 . 1 . . . . A 9 LYS CA . 36328 1 104 . 1 . 1 9 9 LYS CB C 13 32.298 0.300 . 1 . . . . A 9 LYS CB . 36328 1 105 . 1 . 1 9 9 LYS CG C 13 25.362 0.300 . 1 . . . . A 9 LYS CG . 36328 1 106 . 1 . 1 9 9 LYS CD C 13 29.646 0.300 . 1 . . . . A 9 LYS CD . 36328 1 107 . 1 . 1 9 9 LYS CE C 13 42.134 0.300 . 1 . . . . A 9 LYS CE . 36328 1 108 . 1 . 1 9 9 LYS N N 15 122.043 0.300 . 1 . . . . A 9 LYS N . 36328 1 109 . 1 . 1 10 10 ASN H H 1 8.034 0.030 . 1 . . . . A 10 ASN H . 36328 1 110 . 1 . 1 10 10 ASN HA H 1 4.797 0.030 . 1 . . . . A 10 ASN HA . 36328 1 111 . 1 . 1 10 10 ASN HB2 H 1 2.940 0.030 . 2 . . . . A 10 ASN HB2 . 36328 1 112 . 1 . 1 10 10 ASN HB3 H 1 3.093 0.030 . 2 . . . . A 10 ASN HB3 . 36328 1 113 . 1 . 1 10 10 ASN HD21 H 1 6.908 0.030 . 2 . . . . A 10 ASN HD21 . 36328 1 114 . 1 . 1 10 10 ASN HD22 H 1 7.586 0.030 . 2 . . . . A 10 ASN HD22 . 36328 1 115 . 1 . 1 10 10 ASN C C 13 176.027 0.300 . 1 . . . . A 10 ASN C . 36328 1 116 . 1 . 1 10 10 ASN CA C 13 52.769 0.300 . 1 . . . . A 10 ASN CA . 36328 1 117 . 1 . 1 10 10 ASN CB C 13 38.016 0.300 . 1 . . . . A 10 ASN CB . 36328 1 118 . 1 . 1 10 10 ASN N N 15 114.840 0.300 . 1 . . . . A 10 ASN N . 36328 1 119 . 1 . 1 10 10 ASN ND2 N 15 110.921 0.300 . 1 . . . . A 10 ASN ND2 . 36328 1 120 . 1 . 1 11 11 GLY H H 1 8.075 0.030 . 1 . . . . A 11 GLY H . 36328 1 121 . 1 . 1 11 11 GLY HA2 H 1 3.901 0.030 . 2 . . . . A 11 GLY HA2 . 36328 1 122 . 1 . 1 11 11 GLY HA3 H 1 4.292 0.030 . 2 . . . . A 11 GLY HA3 . 36328 1 123 . 1 . 1 11 11 GLY C C 13 174.520 0.300 . 1 . . . . A 11 GLY C . 36328 1 124 . 1 . 1 11 11 GLY CA C 13 45.520 0.300 . 1 . . . . A 11 GLY CA . 36328 1 125 . 1 . 1 11 11 GLY N N 15 108.010 0.300 . 1 . . . . A 11 GLY N . 36328 1 126 . 1 . 1 12 12 GLN H H 1 7.788 0.030 . 1 . . . . A 12 GLN H . 36328 1 127 . 1 . 1 12 12 GLN HA H 1 4.358 0.030 . 1 . . . . A 12 GLN HA . 36328 1 128 . 1 . 1 12 12 GLN HB2 H 1 2.127 0.030 . 1 . . . . A 12 GLN HB2 . 36328 1 129 . 1 . 1 12 12 GLN HB3 H 1 2.127 0.030 . 1 . . . . A 12 GLN HB3 . 36328 1 130 . 1 . 1 12 12 GLN HG2 H 1 2.366 0.030 . 1 . . . . A 12 GLN HG2 . 36328 1 131 . 1 . 1 12 12 GLN HG3 H 1 2.366 0.030 . 1 . . . . A 12 GLN HG3 . 36328 1 132 . 1 . 1 12 12 GLN HE21 H 1 7.578 0.030 . 1 . . . . A 12 GLN HE21 . 36328 1 133 . 1 . 1 12 12 GLN HE22 H 1 7.578 0.030 . 1 . . . . A 12 GLN HE22 . 36328 1 134 . 1 . 1 12 12 GLN C C 13 175.633 0.300 . 1 . . . . A 12 GLN C . 36328 1 135 . 1 . 1 12 12 GLN CA C 13 56.282 0.300 . 1 . . . . A 12 GLN CA . 36328 1 136 . 1 . 1 12 12 GLN CB C 13 29.227 0.300 . 1 . . . . A 12 GLN CB . 36328 1 137 . 1 . 1 12 12 GLN CG C 13 34.211 0.300 . 1 . . . . A 12 GLN CG . 36328 1 138 . 1 . 1 12 12 GLN N N 15 119.944 0.300 . 1 . . . . A 12 GLN N . 36328 1 139 . 1 . 1 13 13 ARG H H 1 8.746 0.030 . 1 . . . . A 13 ARG H . 36328 1 140 . 1 . 1 13 13 ARG HA H 1 5.422 0.030 . 1 . . . . A 13 ARG HA . 36328 1 141 . 1 . 1 13 13 ARG HB2 H 1 1.790 0.030 . 1 . . . . A 13 ARG HB2 . 36328 1 142 . 1 . 1 13 13 ARG HB3 H 1 1.790 0.030 . 1 . . . . A 13 ARG HB3 . 36328 1 143 . 1 . 1 13 13 ARG HG2 H 1 1.556 0.030 . 1 . . . . A 13 ARG HG2 . 36328 1 144 . 1 . 1 13 13 ARG HG3 H 1 1.556 0.030 . 1 . . . . A 13 ARG HG3 . 36328 1 145 . 1 . 1 13 13 ARG HD2 H 1 3.199 0.030 . 1 . . . . A 13 ARG HD2 . 36328 1 146 . 1 . 1 13 13 ARG HD3 H 1 3.199 0.030 . 1 . . . . A 13 ARG HD3 . 36328 1 147 . 1 . 1 13 13 ARG C C 13 176.339 0.300 . 1 . . . . A 13 ARG C . 36328 1 148 . 1 . 1 13 13 ARG CA C 13 55.074 0.300 . 1 . . . . A 13 ARG CA . 36328 1 149 . 1 . 1 13 13 ARG CB C 13 32.584 0.300 . 1 . . . . A 13 ARG CB . 36328 1 150 . 1 . 1 13 13 ARG CG C 13 27.991 0.300 . 1 . . . . A 13 ARG CG . 36328 1 151 . 1 . 1 13 13 ARG CD C 13 43.423 0.300 . 1 . . . . A 13 ARG CD . 36328 1 152 . 1 . 1 13 13 ARG N N 15 124.094 0.300 . 1 . . . . A 13 ARG N . 36328 1 153 . 1 . 1 14 14 GLU H H 1 8.789 0.030 . 1 . . . . A 14 GLU H . 36328 1 154 . 1 . 1 14 14 GLU HA H 1 4.603 0.030 . 1 . . . . A 14 GLU HA . 36328 1 155 . 1 . 1 14 14 GLU HB2 H 1 1.831 0.030 . 2 . . . . A 14 GLU HB2 . 36328 1 156 . 1 . 1 14 14 GLU HB3 H 1 2.006 0.030 . 2 . . . . A 14 GLU HB3 . 36328 1 157 . 1 . 1 14 14 GLU HG2 H 1 2.184 0.030 . 2 . . . . A 14 GLU HG2 . 36328 1 158 . 1 . 1 14 14 GLU HG3 H 1 2.307 0.030 . 2 . . . . A 14 GLU HG3 . 36328 1 159 . 1 . 1 14 14 GLU C C 13 174.239 0.300 . 1 . . . . A 14 GLU C . 36328 1 160 . 1 . 1 14 14 GLU CA C 13 54.777 0.300 . 1 . . . . A 14 GLU CA . 36328 1 161 . 1 . 1 14 14 GLU CB C 13 34.719 0.300 . 1 . . . . A 14 GLU CB . 36328 1 162 . 1 . 1 14 14 GLU CG C 13 36.084 0.300 . 1 . . . . A 14 GLU CG . 36328 1 163 . 1 . 1 14 14 GLU N N 15 121.659 0.300 . 1 . . . . A 14 GLU N . 36328 1 164 . 1 . 1 15 15 HIS H H 1 8.418 0.030 . 1 . . . . A 15 HIS H . 36328 1 165 . 1 . 1 15 15 HIS HA H 1 5.516 0.030 . 1 . . . . A 15 HIS HA . 36328 1 166 . 1 . 1 15 15 HIS HB2 H 1 3.082 0.030 . 1 . . . . A 15 HIS HB2 . 36328 1 167 . 1 . 1 15 15 HIS HB3 H 1 3.082 0.030 . 1 . . . . A 15 HIS HB3 . 36328 1 168 . 1 . 1 15 15 HIS HD1 H 1 8.414 0.030 . 1 . . . . A 15 HIS HD1 . 36328 1 169 . 1 . 1 15 15 HIS HD2 H 1 7.143 0.030 . 1 . . . . A 15 HIS HD2 . 36328 1 170 . 1 . 1 15 15 HIS HE1 H 1 8.421 0.030 . 1 . . . . A 15 HIS HE1 . 36328 1 171 . 1 . 1 15 15 HIS C C 13 172.991 0.300 . 1 . . . . A 15 HIS C . 36328 1 172 . 1 . 1 15 15 HIS CA C 13 54.656 0.300 . 1 . . . . A 15 HIS CA . 36328 1 173 . 1 . 1 15 15 HIS CB C 13 31.628 0.300 . 1 . . . . A 15 HIS CB . 36328 1 174 . 1 . 1 15 15 HIS CD2 C 13 120.278 0.300 . 1 . . . . A 15 HIS CD2 . 36328 1 175 . 1 . 1 15 15 HIS CE1 C 13 136.348 0.300 . 1 . . . . A 15 HIS CE1 . 36328 1 176 . 1 . 1 15 15 HIS N N 15 120.472 0.300 . 1 . . . . A 15 HIS N . 36328 1 177 . 1 . 1 16 16 TYR H H 1 9.039 0.030 . 1 . . . . A 16 TYR H . 36328 1 178 . 1 . 1 16 16 TYR HA H 1 4.772 0.030 . 1 . . . . A 16 TYR HA . 36328 1 179 . 1 . 1 16 16 TYR HB2 H 1 2.544 0.030 . 2 . . . . A 16 TYR HB2 . 36328 1 180 . 1 . 1 16 16 TYR HB3 H 1 3.079 0.030 . 2 . . . . A 16 TYR HB3 . 36328 1 181 . 1 . 1 16 16 TYR HD1 H 1 6.999 0.030 . 1 . . . . A 16 TYR HD1 . 36328 1 182 . 1 . 1 16 16 TYR HD2 H 1 6.999 0.030 . 1 . . . . A 16 TYR HD2 . 36328 1 183 . 1 . 1 16 16 TYR HE1 H 1 6.780 0.030 . 1 . . . . A 16 TYR HE1 . 36328 1 184 . 1 . 1 16 16 TYR HE2 H 1 6.780 0.030 . 1 . . . . A 16 TYR HE2 . 36328 1 185 . 1 . 1 16 16 TYR C C 13 174.466 0.300 . 1 . . . . A 16 TYR C . 36328 1 186 . 1 . 1 16 16 TYR CA C 13 56.934 0.300 . 1 . . . . A 16 TYR CA . 36328 1 187 . 1 . 1 16 16 TYR CB C 13 43.297 0.300 . 1 . . . . A 16 TYR CB . 36328 1 188 . 1 . 1 16 16 TYR CD1 C 13 133.252 0.300 . 1 . . . . A 16 TYR CD1 . 36328 1 189 . 1 . 1 16 16 TYR CD2 C 13 133.252 0.300 . 1 . . . . A 16 TYR CD2 . 36328 1 190 . 1 . 1 16 16 TYR CE1 C 13 118.207 0.300 . 3 . . . . A 16 TYR CE1 . 36328 1 191 . 1 . 1 16 16 TYR CE2 C 13 118.322 0.300 . 3 . . . . A 16 TYR CE2 . 36328 1 192 . 1 . 1 16 16 TYR N N 15 123.110 0.300 . 1 . . . . A 16 TYR N . 36328 1 193 . 1 . 1 17 17 THR H H 1 8.794 0.030 . 1 . . . . A 17 THR H . 36328 1 194 . 1 . 1 17 17 THR HA H 1 4.849 0.030 . 1 . . . . A 17 THR HA . 36328 1 195 . 1 . 1 17 17 THR HB H 1 4.007 0.030 . 1 . . . . A 17 THR HB . 36328 1 196 . 1 . 1 17 17 THR HG21 H 1 1.136 0.030 . 1 . . . . A 17 THR HG21 . 36328 1 197 . 1 . 1 17 17 THR HG22 H 1 1.136 0.030 . 1 . . . . A 17 THR HG22 . 36328 1 198 . 1 . 1 17 17 THR HG23 H 1 1.136 0.030 . 1 . . . . A 17 THR HG23 . 36328 1 199 . 1 . 1 17 17 THR C C 13 173.575 0.300 . 1 . . . . A 17 THR C . 36328 1 200 . 1 . 1 17 17 THR CA C 13 61.766 0.300 . 1 . . . . A 17 THR CA . 36328 1 201 . 1 . 1 17 17 THR CB C 13 70.167 0.300 . 1 . . . . A 17 THR CB . 36328 1 202 . 1 . 1 17 17 THR CG2 C 13 21.802 0.300 . 1 . . . . A 17 THR CG2 . 36328 1 203 . 1 . 1 17 17 THR N N 15 118.509 0.300 . 1 . . . . A 17 THR N . 36328 1 204 . 1 . 1 18 18 ALA H H 1 8.982 0.030 . 1 . . . . A 18 ALA H . 36328 1 205 . 1 . 1 18 18 ALA HA H 1 4.838 0.030 . 1 . . . . A 18 ALA HA . 36328 1 206 . 1 . 1 18 18 ALA HB1 H 1 1.409 0.030 . 1 . . . . A 18 ALA HB1 . 36328 1 207 . 1 . 1 18 18 ALA HB2 H 1 1.409 0.030 . 1 . . . . A 18 ALA HB2 . 36328 1 208 . 1 . 1 18 18 ALA HB3 H 1 1.409 0.030 . 1 . . . . A 18 ALA HB3 . 36328 1 209 . 1 . 1 18 18 ALA C C 13 177.826 0.300 . 1 . . . . A 18 ALA C . 36328 1 210 . 1 . 1 18 18 ALA CA C 13 50.384 0.300 . 1 . . . . A 18 ALA CA . 36328 1 211 . 1 . 1 18 18 ALA CB C 13 21.115 0.300 . 1 . . . . A 18 ALA CB . 36328 1 212 . 1 . 1 18 18 ALA N N 15 127.944 0.300 . 1 . . . . A 18 ALA N . 36328 1 213 . 1 . 1 19 19 THR H H 1 9.314 0.030 . 1 . . . . A 19 THR H . 36328 1 214 . 1 . 1 19 19 THR HA H 1 4.377 0.030 . 1 . . . . A 19 THR HA . 36328 1 215 . 1 . 1 19 19 THR HB H 1 4.478 0.030 . 1 . . . . A 19 THR HB . 36328 1 216 . 1 . 1 19 19 THR HG21 H 1 1.351 0.030 . 1 . . . . A 19 THR HG21 . 36328 1 217 . 1 . 1 19 19 THR HG22 H 1 1.351 0.030 . 1 . . . . A 19 THR HG22 . 36328 1 218 . 1 . 1 19 19 THR HG23 H 1 1.351 0.030 . 1 . . . . A 19 THR HG23 . 36328 1 219 . 1 . 1 19 19 THR C C 13 174.114 0.300 . 1 . . . . A 19 THR C . 36328 1 220 . 1 . 1 19 19 THR CA C 13 63.153 0.300 . 1 . . . . A 19 THR CA . 36328 1 221 . 1 . 1 19 19 THR CB C 13 69.479 0.300 . 1 . . . . A 19 THR CB . 36328 1 222 . 1 . 1 19 19 THR CG2 C 13 21.933 0.300 . 1 . . . . A 19 THR CG2 . 36328 1 223 . 1 . 1 19 19 THR N N 15 114.898 0.300 . 1 . . . . A 19 THR N . 36328 1 224 . 1 . 1 20 20 SER H H 1 7.639 0.030 . 1 . . . . A 20 SER H . 36328 1 225 . 1 . 1 20 20 SER HA H 1 4.876 0.030 . 1 . . . . A 20 SER HA . 36328 1 226 . 1 . 1 20 20 SER HB2 H 1 4.060 0.030 . 2 . . . . A 20 SER HB2 . 36328 1 227 . 1 . 1 20 20 SER HB3 H 1 4.320 0.030 . 2 . . . . A 20 SER HB3 . 36328 1 228 . 1 . 1 20 20 SER C C 13 174.880 0.300 . 1 . . . . A 20 SER C . 36328 1 229 . 1 . 1 20 20 SER CA C 13 56.590 0.300 . 1 . . . . A 20 SER CA . 36328 1 230 . 1 . 1 20 20 SER CB C 13 66.579 0.300 . 1 . . . . A 20 SER CB . 36328 1 231 . 1 . 1 20 20 SER N N 15 113.534 0.300 . 1 . . . . A 20 SER N . 36328 1 232 . 1 . 1 21 21 GLU H H 1 9.235 0.030 . 1 . . . . A 21 GLU H . 36328 1 233 . 1 . 1 21 21 GLU HA H 1 4.102 0.030 . 1 . . . . A 21 GLU HA . 36328 1 234 . 1 . 1 21 21 GLU HB2 H 1 2.127 0.030 . 1 . . . . A 21 GLU HB2 . 36328 1 235 . 1 . 1 21 21 GLU HB3 H 1 2.127 0.030 . 1 . . . . A 21 GLU HB3 . 36328 1 236 . 1 . 1 21 21 GLU HG2 H 1 2.272 0.030 . 2 . . . . A 21 GLU HG2 . 36328 1 237 . 1 . 1 21 21 GLU HG3 H 1 2.549 0.030 . 2 . . . . A 21 GLU HG3 . 36328 1 238 . 1 . 1 21 21 GLU C C 13 178.315 0.300 . 1 . . . . A 21 GLU C . 36328 1 239 . 1 . 1 21 21 GLU CA C 13 60.137 0.300 . 1 . . . . A 21 GLU CA . 36328 1 240 . 1 . 1 21 21 GLU CB C 13 29.154 0.300 . 1 . . . . A 21 GLU CB . 36328 1 241 . 1 . 1 21 21 GLU CG C 13 37.874 0.300 . 1 . . . . A 21 GLU CG . 36328 1 242 . 1 . 1 21 21 GLU N N 15 123.060 0.300 . 1 . . . . A 21 GLU N . 36328 1 243 . 1 . 1 22 22 ASP H H 1 8.464 0.030 . 1 . . . . A 22 ASP H . 36328 1 244 . 1 . 1 22 22 ASP HA H 1 4.396 0.030 . 1 . . . . A 22 ASP HA . 36328 1 245 . 1 . 1 22 22 ASP HB2 H 1 2.641 0.030 . 1 . . . . A 22 ASP HB2 . 36328 1 246 . 1 . 1 22 22 ASP HB3 H 1 2.641 0.030 . 1 . . . . A 22 ASP HB3 . 36328 1 247 . 1 . 1 22 22 ASP C C 13 178.550 0.300 . 1 . . . . A 22 ASP C . 36328 1 248 . 1 . 1 22 22 ASP CA C 13 57.606 0.300 . 1 . . . . A 22 ASP CA . 36328 1 249 . 1 . 1 22 22 ASP CB C 13 40.862 0.300 . 1 . . . . A 22 ASP CB . 36328 1 250 . 1 . 1 22 22 ASP N N 15 119.082 0.300 . 1 . . . . A 22 ASP N . 36328 1 251 . 1 . 1 23 23 GLU H H 1 7.766 0.030 . 1 . . . . A 23 GLU H . 36328 1 252 . 1 . 1 23 23 GLU HA H 1 4.037 0.030 . 1 . . . . A 23 GLU HA . 36328 1 253 . 1 . 1 23 23 GLU HB2 H 1 2.140 0.030 . 2 . . . . A 23 GLU HB2 . 36328 1 254 . 1 . 1 23 23 GLU HB3 H 1 2.235 0.030 . 2 . . . . A 23 GLU HB3 . 36328 1 255 . 1 . 1 23 23 GLU HG2 H 1 2.250 0.030 . 2 . . . . A 23 GLU HG2 . 36328 1 256 . 1 . 1 23 23 GLU HG3 H 1 2.422 0.030 . 2 . . . . A 23 GLU HG3 . 36328 1 257 . 1 . 1 23 23 GLU C C 13 178.666 0.300 . 1 . . . . A 23 GLU C . 36328 1 258 . 1 . 1 23 23 GLU CA C 13 59.161 0.300 . 1 . . . . A 23 GLU CA . 36328 1 259 . 1 . 1 23 23 GLU CB C 13 30.019 0.300 . 1 . . . . A 23 GLU CB . 36328 1 260 . 1 . 1 23 23 GLU CG C 13 36.296 0.300 . 1 . . . . A 23 GLU CG . 36328 1 261 . 1 . 1 23 23 GLU N N 15 120.098 0.300 . 1 . . . . A 23 GLU N . 36328 1 262 . 1 . 1 24 24 ALA H H 1 7.977 0.030 . 1 . . . . A 24 ALA H . 36328 1 263 . 1 . 1 24 24 ALA HA H 1 3.795 0.030 . 1 . . . . A 24 ALA HA . 36328 1 264 . 1 . 1 24 24 ALA HB1 H 1 1.456 0.030 . 1 . . . . A 24 ALA HB1 . 36328 1 265 . 1 . 1 24 24 ALA HB2 H 1 1.456 0.030 . 1 . . . . A 24 ALA HB2 . 36328 1 266 . 1 . 1 24 24 ALA HB3 H 1 1.456 0.030 . 1 . . . . A 24 ALA HB3 . 36328 1 267 . 1 . 1 24 24 ALA C C 13 178.577 0.300 . 1 . . . . A 24 ALA C . 36328 1 268 . 1 . 1 24 24 ALA CA C 13 55.391 0.300 . 1 . . . . A 24 ALA CA . 36328 1 269 . 1 . 1 24 24 ALA CB C 13 18.372 0.300 . 1 . . . . A 24 ALA CB . 36328 1 270 . 1 . 1 24 24 ALA N N 15 120.536 0.300 . 1 . . . . A 24 ALA N . 36328 1 271 . 1 . 1 25 25 ARG H H 1 8.349 0.030 . 1 . . . . A 25 ARG H . 36328 1 272 . 1 . 1 25 25 ARG HA H 1 3.736 0.030 . 1 . . . . A 25 ARG HA . 36328 1 273 . 1 . 1 25 25 ARG HB2 H 1 1.468 0.030 . 1 . . . . A 25 ARG HB2 . 36328 1 274 . 1 . 1 25 25 ARG HB3 H 1 1.468 0.030 . 1 . . . . A 25 ARG HB3 . 36328 1 275 . 1 . 1 25 25 ARG HG2 H 1 1.917 0.030 . 1 . . . . A 25 ARG HG2 . 36328 1 276 . 1 . 1 25 25 ARG HG3 H 1 1.917 0.030 . 1 . . . . A 25 ARG HG3 . 36328 1 277 . 1 . 1 25 25 ARG HD2 H 1 3.307 0.030 . 1 . . . . A 25 ARG HD2 . 36328 1 278 . 1 . 1 25 25 ARG HD3 H 1 3.307 0.030 . 1 . . . . A 25 ARG HD3 . 36328 1 279 . 1 . 1 25 25 ARG C C 13 178.343 0.300 . 1 . . . . A 25 ARG C . 36328 1 280 . 1 . 1 25 25 ARG CA C 13 60.578 0.300 . 1 . . . . A 25 ARG CA . 36328 1 281 . 1 . 1 25 25 ARG CB C 13 29.891 0.300 . 1 . . . . A 25 ARG CB . 36328 1 282 . 1 . 1 25 25 ARG CG C 13 29.948 0.300 . 1 . . . . A 25 ARG CG . 36328 1 283 . 1 . 1 25 25 ARG CD C 13 43.194 0.300 . 1 . . . . A 25 ARG CD . 36328 1 284 . 1 . 1 25 25 ARG N N 15 116.257 0.300 . 1 . . . . A 25 ARG N . 36328 1 285 . 1 . 1 26 26 LYS H H 1 7.605 0.030 . 1 . . . . A 26 LYS H . 36328 1 286 . 1 . 1 26 26 LYS HA H 1 4.076 0.030 . 1 . . . . A 26 LYS HA . 36328 1 287 . 1 . 1 26 26 LYS HB2 H 1 1.969 0.030 . 1 . . . . A 26 LYS HB2 . 36328 1 288 . 1 . 1 26 26 LYS HB3 H 1 1.969 0.030 . 1 . . . . A 26 LYS HB3 . 36328 1 289 . 1 . 1 26 26 LYS HG2 H 1 1.639 0.030 . 1 . . . . A 26 LYS HG2 . 36328 1 290 . 1 . 1 26 26 LYS HG3 H 1 1.639 0.030 . 1 . . . . A 26 LYS HG3 . 36328 1 291 . 1 . 1 26 26 LYS HD2 H 1 1.645 0.030 . 2 . . . . A 26 LYS HD2 . 36328 1 292 . 1 . 1 26 26 LYS HD3 H 1 1.688 0.030 . 2 . . . . A 26 LYS HD3 . 36328 1 293 . 1 . 1 26 26 LYS HE2 H 1 2.957 0.030 . 1 . . . . A 26 LYS HE2 . 36328 1 294 . 1 . 1 26 26 LYS HE3 H 1 2.957 0.030 . 1 . . . . A 26 LYS HE3 . 36328 1 295 . 1 . 1 26 26 LYS C C 13 179.478 0.300 . 1 . . . . A 26 LYS C . 36328 1 296 . 1 . 1 26 26 LYS CA C 13 59.629 0.300 . 1 . . . . A 26 LYS CA . 36328 1 297 . 1 . 1 26 26 LYS CB C 13 32.371 0.300 . 1 . . . . A 26 LYS CB . 36328 1 298 . 1 . 1 26 26 LYS CG C 13 25.492 0.300 . 1 . . . . A 26 LYS CG . 36328 1 299 . 1 . 1 26 26 LYS CD C 13 29.245 0.300 . 1 . . . . A 26 LYS CD . 36328 1 300 . 1 . 1 26 26 LYS CE C 13 42.173 0.300 . 1 . . . . A 26 LYS CE . 36328 1 301 . 1 . 1 26 26 LYS N N 15 119.073 0.300 . 1 . . . . A 26 LYS N . 36328 1 302 . 1 . 1 27 27 ILE H H 1 7.951 0.030 . 1 . . . . A 27 ILE H . 36328 1 303 . 1 . 1 27 27 ILE HA H 1 3.439 0.030 . 1 . . . . A 27 ILE HA . 36328 1 304 . 1 . 1 27 27 ILE HB H 1 1.762 0.030 . 1 . . . . A 27 ILE HB . 36328 1 305 . 1 . 1 27 27 ILE HG12 H 1 0.742 0.030 . 2 . . . . A 27 ILE HG12 . 36328 1 306 . 1 . 1 27 27 ILE HG13 H 1 1.697 0.030 . 2 . . . . A 27 ILE HG13 . 36328 1 307 . 1 . 1 27 27 ILE HG21 H 1 0.652 0.030 . 1 . . . . A 27 ILE HG21 . 36328 1 308 . 1 . 1 27 27 ILE HG22 H 1 0.652 0.030 . 1 . . . . A 27 ILE HG22 . 36328 1 309 . 1 . 1 27 27 ILE HG23 H 1 0.652 0.030 . 1 . . . . A 27 ILE HG23 . 36328 1 310 . 1 . 1 27 27 ILE HD11 H 1 0.329 0.030 . 1 . . . . A 27 ILE HD11 . 36328 1 311 . 1 . 1 27 27 ILE HD12 H 1 0.329 0.030 . 1 . . . . A 27 ILE HD12 . 36328 1 312 . 1 . 1 27 27 ILE HD13 H 1 0.329 0.030 . 1 . . . . A 27 ILE HD13 . 36328 1 313 . 1 . 1 27 27 ILE C C 13 178.819 0.300 . 1 . . . . A 27 ILE C . 36328 1 314 . 1 . 1 27 27 ILE CA C 13 65.388 0.300 . 1 . . . . A 27 ILE CA . 36328 1 315 . 1 . 1 27 27 ILE CB C 13 38.171 0.300 . 1 . . . . A 27 ILE CB . 36328 1 316 . 1 . 1 27 27 ILE CG1 C 13 29.025 0.300 . 1 . . . . A 27 ILE CG1 . 36328 1 317 . 1 . 1 27 27 ILE CG2 C 13 14.076 0.300 . 1 . . . . A 27 ILE CG2 . 36328 1 318 . 1 . 1 27 27 ILE CD1 C 13 16.667 0.300 . 1 . . . . A 27 ILE CD1 . 36328 1 319 . 1 . 1 27 27 ILE N N 15 120.809 0.300 . 1 . . . . A 27 ILE N . 36328 1 320 . 1 . 1 28 28 ILE H H 1 8.198 0.030 . 1 . . . . A 28 ILE H . 36328 1 321 . 1 . 1 28 28 ILE HA H 1 3.396 0.030 . 1 . . . . A 28 ILE HA . 36328 1 322 . 1 . 1 28 28 ILE HB H 1 1.883 0.030 . 1 . . . . A 28 ILE HB . 36328 1 323 . 1 . 1 28 28 ILE HG12 H 1 0.883 0.030 . 2 . . . . A 28 ILE HG12 . 36328 1 324 . 1 . 1 28 28 ILE HG13 H 1 1.827 0.030 . 2 . . . . A 28 ILE HG13 . 36328 1 325 . 1 . 1 28 28 ILE HG21 H 1 0.837 0.030 . 1 . . . . A 28 ILE HG21 . 36328 1 326 . 1 . 1 28 28 ILE HG22 H 1 0.837 0.030 . 1 . . . . A 28 ILE HG22 . 36328 1 327 . 1 . 1 28 28 ILE HG23 H 1 0.837 0.030 . 1 . . . . A 28 ILE HG23 . 36328 1 328 . 1 . 1 28 28 ILE HD11 H 1 0.818 0.030 . 1 . . . . A 28 ILE HD11 . 36328 1 329 . 1 . 1 28 28 ILE HD12 H 1 0.818 0.030 . 1 . . . . A 28 ILE HD12 . 36328 1 330 . 1 . 1 28 28 ILE HD13 H 1 0.818 0.030 . 1 . . . . A 28 ILE HD13 . 36328 1 331 . 1 . 1 28 28 ILE C C 13 176.846 0.300 . 1 . . . . A 28 ILE C . 36328 1 332 . 1 . 1 28 28 ILE CA C 13 65.926 0.300 . 1 . . . . A 28 ILE CA . 36328 1 333 . 1 . 1 28 28 ILE CB C 13 38.201 0.300 . 1 . . . . A 28 ILE CB . 36328 1 334 . 1 . 1 28 28 ILE CG1 C 13 29.800 0.300 . 1 . . . . A 28 ILE CG1 . 36328 1 335 . 1 . 1 28 28 ILE CG2 C 13 17.584 0.300 . 1 . . . . A 28 ILE CG2 . 36328 1 336 . 1 . 1 28 28 ILE CD1 C 13 14.170 0.300 . 1 . . . . A 28 ILE CD1 . 36328 1 337 . 1 . 1 28 28 ILE N N 15 120.428 0.300 . 1 . . . . A 28 ILE N . 36328 1 338 . 1 . 1 29 29 GLU H H 1 8.547 0.030 . 1 . . . . A 29 GLU H . 36328 1 339 . 1 . 1 29 29 GLU HA H 1 3.828 0.030 . 1 . . . . A 29 GLU HA . 36328 1 340 . 1 . 1 29 29 GLU HB2 H 1 2.065 0.030 . 2 . . . . A 29 GLU HB2 . 36328 1 341 . 1 . 1 29 29 GLU HB3 H 1 2.143 0.030 . 2 . . . . A 29 GLU HB3 . 36328 1 342 . 1 . 1 29 29 GLU HG2 H 1 2.192 0.030 . 2 . . . . A 29 GLU HG2 . 36328 1 343 . 1 . 1 29 29 GLU HG3 H 1 2.415 0.030 . 2 . . . . A 29 GLU HG3 . 36328 1 344 . 1 . 1 29 29 GLU C C 13 179.024 0.300 . 1 . . . . A 29 GLU C . 36328 1 345 . 1 . 1 29 29 GLU CA C 13 60.191 0.300 . 1 . . . . A 29 GLU CA . 36328 1 346 . 1 . 1 29 29 GLU CB C 13 29.523 0.300 . 1 . . . . A 29 GLU CB . 36328 1 347 . 1 . 1 29 29 GLU CG C 13 36.515 0.300 . 1 . . . . A 29 GLU CG . 36328 1 348 . 1 . 1 29 29 GLU N N 15 119.579 0.300 . 1 . . . . A 29 GLU N . 36328 1 349 . 1 . 1 30 30 LYS H H 1 7.675 0.030 . 1 . . . . A 30 LYS H . 36328 1 350 . 1 . 1 30 30 LYS HA H 1 3.951 0.030 . 1 . . . . A 30 LYS HA . 36328 1 351 . 1 . 1 30 30 LYS HB2 H 1 1.881 0.030 . 1 . . . . A 30 LYS HB2 . 36328 1 352 . 1 . 1 30 30 LYS HB3 H 1 1.881 0.030 . 1 . . . . A 30 LYS HB3 . 36328 1 353 . 1 . 1 30 30 LYS HG2 H 1 1.424 0.030 . 2 . . . . A 30 LYS HG2 . 36328 1 354 . 1 . 1 30 30 LYS HG3 H 1 1.635 0.030 . 2 . . . . A 30 LYS HG3 . 36328 1 355 . 1 . 1 30 30 LYS HE2 H 1 2.953 0.030 . 1 . . . . A 30 LYS HE2 . 36328 1 356 . 1 . 1 30 30 LYS HE3 H 1 2.953 0.030 . 1 . . . . A 30 LYS HE3 . 36328 1 357 . 1 . 1 30 30 LYS C C 13 178.899 0.300 . 1 . . . . A 30 LYS C . 36328 1 358 . 1 . 1 30 30 LYS CA C 13 59.422 0.300 . 1 . . . . A 30 LYS CA . 36328 1 359 . 1 . 1 30 30 LYS CB C 13 32.467 0.300 . 1 . . . . A 30 LYS CB . 36328 1 360 . 1 . 1 30 30 LYS CG C 13 25.568 0.300 . 1 . . . . A 30 LYS CG . 36328 1 361 . 1 . 1 30 30 LYS CE C 13 42.164 0.300 . 1 . . . . A 30 LYS CE . 36328 1 362 . 1 . 1 30 30 LYS N N 15 117.456 0.300 . 1 . . . . A 30 LYS N . 36328 1 363 . 1 . 1 31 31 ALA H H 1 8.049 0.030 . 1 . . . . A 31 ALA H . 36328 1 364 . 1 . 1 31 31 ALA HA H 1 4.011 0.030 . 1 . . . . A 31 ALA HA . 36328 1 365 . 1 . 1 31 31 ALA HB1 H 1 1.456 0.030 . 1 . . . . A 31 ALA HB1 . 36328 1 366 . 1 . 1 31 31 ALA HB2 H 1 1.456 0.030 . 1 . . . . A 31 ALA HB2 . 36328 1 367 . 1 . 1 31 31 ALA HB3 H 1 1.456 0.030 . 1 . . . . A 31 ALA HB3 . 36328 1 368 . 1 . 1 31 31 ALA C C 13 179.871 0.300 . 1 . . . . A 31 ALA C . 36328 1 369 . 1 . 1 31 31 ALA CA C 13 55.072 0.300 . 1 . . . . A 31 ALA CA . 36328 1 370 . 1 . 1 31 31 ALA CB C 13 19.196 0.300 . 1 . . . . A 31 ALA CB . 36328 1 371 . 1 . 1 31 31 ALA N N 15 122.282 0.300 . 1 . . . . A 31 ALA N . 36328 1 372 . 1 . 1 32 32 VAL H H 1 8.593 0.030 . 1 . . . . A 32 VAL H . 36328 1 373 . 1 . 1 32 32 VAL HA H 1 3.729 0.030 . 1 . . . . A 32 VAL HA . 36328 1 374 . 1 . 1 32 32 VAL HB H 1 2.207 0.030 . 1 . . . . A 32 VAL HB . 36328 1 375 . 1 . 1 32 32 VAL HG11 H 1 0.958 0.030 . 2 . . . . A 32 VAL HG11 . 36328 1 376 . 1 . 1 32 32 VAL HG12 H 1 0.958 0.030 . 2 . . . . A 32 VAL HG12 . 36328 1 377 . 1 . 1 32 32 VAL HG13 H 1 0.958 0.030 . 2 . . . . A 32 VAL HG13 . 36328 1 378 . 1 . 1 32 32 VAL HG21 H 1 1.001 0.030 . 2 . . . . A 32 VAL HG21 . 36328 1 379 . 1 . 1 32 32 VAL HG22 H 1 1.001 0.030 . 2 . . . . A 32 VAL HG22 . 36328 1 380 . 1 . 1 32 32 VAL HG23 H 1 1.001 0.030 . 2 . . . . A 32 VAL HG23 . 36328 1 381 . 1 . 1 32 32 VAL C C 13 179.602 0.300 . 1 . . . . A 32 VAL C . 36328 1 382 . 1 . 1 32 32 VAL CA C 13 66.195 0.300 . 1 . . . . A 32 VAL CA . 36328 1 383 . 1 . 1 32 32 VAL CB C 13 31.522 0.300 . 1 . . . . A 32 VAL CB . 36328 1 384 . 1 . 1 32 32 VAL CG1 C 13 21.606 0.300 . 2 . . . . A 32 VAL CG1 . 36328 1 385 . 1 . 1 32 32 VAL CG2 C 13 22.478 0.300 . 2 . . . . A 32 VAL CG2 . 36328 1 386 . 1 . 1 32 32 VAL N N 15 117.022 0.300 . 1 . . . . A 32 VAL N . 36328 1 387 . 1 . 1 33 33 ARG H H 1 7.640 0.030 . 1 . . . . A 33 ARG H . 36328 1 388 . 1 . 1 33 33 ARG HA H 1 4.156 0.030 . 1 . . . . A 33 ARG HA . 36328 1 389 . 1 . 1 33 33 ARG HB2 H 1 1.988 0.030 . 1 . . . . A 33 ARG HB2 . 36328 1 390 . 1 . 1 33 33 ARG HB3 H 1 1.988 0.030 . 1 . . . . A 33 ARG HB3 . 36328 1 391 . 1 . 1 33 33 ARG HG2 H 1 1.731 0.030 . 1 . . . . A 33 ARG HG2 . 36328 1 392 . 1 . 1 33 33 ARG HG3 H 1 1.731 0.030 . 1 . . . . A 33 ARG HG3 . 36328 1 393 . 1 . 1 33 33 ARG HD2 H 1 3.228 0.030 . 1 . . . . A 33 ARG HD2 . 36328 1 394 . 1 . 1 33 33 ARG HD3 H 1 3.228 0.030 . 1 . . . . A 33 ARG HD3 . 36328 1 395 . 1 . 1 33 33 ARG C C 13 177.697 0.300 . 1 . . . . A 33 ARG C . 36328 1 396 . 1 . 1 33 33 ARG CA C 13 58.767 0.300 . 1 . . . . A 33 ARG CA . 36328 1 397 . 1 . 1 33 33 ARG CB C 13 30.075 0.300 . 1 . . . . A 33 ARG CB . 36328 1 398 . 1 . 1 33 33 ARG CG C 13 28.058 0.300 . 1 . . . . A 33 ARG CG . 36328 1 399 . 1 . 1 33 33 ARG CD C 13 43.470 0.300 . 1 . . . . A 33 ARG CD . 36328 1 400 . 1 . 1 33 33 ARG N N 15 119.272 0.300 . 1 . . . . A 33 ARG N . 36328 1 401 . 1 . 1 34 34 ARG H H 1 7.659 0.030 . 1 . . . . A 34 ARG H . 36328 1 402 . 1 . 1 34 34 ARG HA H 1 4.443 0.030 . 1 . . . . A 34 ARG HA . 36328 1 403 . 1 . 1 34 34 ARG HB2 H 1 2.019 0.030 . 1 . . . . A 34 ARG HB2 . 36328 1 404 . 1 . 1 34 34 ARG HB3 H 1 2.019 0.030 . 1 . . . . A 34 ARG HB3 . 36328 1 405 . 1 . 1 34 34 ARG HG2 H 1 1.814 0.030 . 2 . . . . A 34 ARG HG2 . 36328 1 406 . 1 . 1 34 34 ARG HG3 H 1 1.856 0.030 . 2 . . . . A 34 ARG HG3 . 36328 1 407 . 1 . 1 34 34 ARG HD2 H 1 3.164 0.030 . 2 . . . . A 34 ARG HD2 . 36328 1 408 . 1 . 1 34 34 ARG HD3 H 1 3.258 0.030 . 2 . . . . A 34 ARG HD3 . 36328 1 409 . 1 . 1 34 34 ARG C C 13 176.923 0.300 . 1 . . . . A 34 ARG C . 36328 1 410 . 1 . 1 34 34 ARG CA C 13 56.976 0.300 . 1 . . . . A 34 ARG CA . 36328 1 411 . 1 . 1 34 34 ARG CB C 13 30.950 0.300 . 1 . . . . A 34 ARG CB . 36328 1 412 . 1 . 1 34 34 ARG CG C 13 27.422 0.300 . 1 . . . . A 34 ARG CG . 36328 1 413 . 1 . 1 34 34 ARG CD C 13 44.108 0.300 . 1 . . . . A 34 ARG CD . 36328 1 414 . 1 . 1 34 34 ARG N N 15 117.218 0.300 . 1 . . . . A 34 ARG N . 36328 1 415 . 1 . 1 35 35 GLY H H 1 7.899 0.030 . 1 . . . . A 35 GLY H . 36328 1 416 . 1 . 1 35 35 GLY HA2 H 1 3.876 0.030 . 2 . . . . A 35 GLY HA2 . 36328 1 417 . 1 . 1 35 35 GLY HA3 H 1 4.263 0.030 . 2 . . . . A 35 GLY HA3 . 36328 1 418 . 1 . 1 35 35 GLY C C 13 174.494 0.300 . 1 . . . . A 35 GLY C . 36328 1 419 . 1 . 1 35 35 GLY CA C 13 46.090 0.300 . 1 . . . . A 35 GLY CA . 36328 1 420 . 1 . 1 35 35 GLY N N 15 108.541 0.300 . 1 . . . . A 35 GLY N . 36328 1 421 . 1 . 1 36 36 ILE H H 1 8.121 0.030 . 1 . . . . A 36 ILE H . 36328 1 422 . 1 . 1 36 36 ILE HA H 1 4.287 0.030 . 1 . . . . A 36 ILE HA . 36328 1 423 . 1 . 1 36 36 ILE HB H 1 1.877 0.030 . 1 . . . . A 36 ILE HB . 36328 1 424 . 1 . 1 36 36 ILE HG12 H 1 1.309 0.030 . 2 . . . . A 36 ILE HG12 . 36328 1 425 . 1 . 1 36 36 ILE HG13 H 1 1.418 0.030 . 2 . . . . A 36 ILE HG13 . 36328 1 426 . 1 . 1 36 36 ILE HG21 H 1 0.928 0.030 . 1 . . . . A 36 ILE HG21 . 36328 1 427 . 1 . 1 36 36 ILE HG22 H 1 0.928 0.030 . 1 . . . . A 36 ILE HG22 . 36328 1 428 . 1 . 1 36 36 ILE HG23 H 1 0.928 0.030 . 1 . . . . A 36 ILE HG23 . 36328 1 429 . 1 . 1 36 36 ILE C C 13 174.402 0.300 . 1 . . . . A 36 ILE C . 36328 1 430 . 1 . 1 36 36 ILE CA C 13 60.369 0.300 . 1 . . . . A 36 ILE CA . 36328 1 431 . 1 . 1 36 36 ILE CB C 13 39.185 0.300 . 1 . . . . A 36 ILE CB . 36328 1 432 . 1 . 1 36 36 ILE CG1 C 13 27.349 0.300 . 1 . . . . A 36 ILE CG1 . 36328 1 433 . 1 . 1 36 36 ILE CG2 C 13 19.553 0.300 . 1 . . . . A 36 ILE CG2 . 36328 1 434 . 1 . 1 36 36 ILE N N 15 121.706 0.300 . 1 . . . . A 36 ILE N . 36328 1 435 . 1 . 1 37 37 LYS H H 1 8.598 0.030 . 1 . . . . A 37 LYS H . 36328 1 436 . 1 . 1 37 37 LYS HA H 1 4.569 0.030 . 1 . . . . A 37 LYS HA . 36328 1 437 . 1 . 1 37 37 LYS HB2 H 1 1.665 0.030 . 2 . . . . A 37 LYS HB2 . 36328 1 438 . 1 . 1 37 37 LYS HB3 H 1 1.820 0.030 . 2 . . . . A 37 LYS HB3 . 36328 1 439 . 1 . 1 37 37 LYS HG2 H 1 1.386 0.030 . 2 . . . . A 37 LYS HG2 . 36328 1 440 . 1 . 1 37 37 LYS HG3 H 1 1.476 0.030 . 2 . . . . A 37 LYS HG3 . 36328 1 441 . 1 . 1 37 37 LYS HD2 H 1 1.692 0.030 . 1 . . . . A 37 LYS HD2 . 36328 1 442 . 1 . 1 37 37 LYS HD3 H 1 1.692 0.030 . 1 . . . . A 37 LYS HD3 . 36328 1 443 . 1 . 1 37 37 LYS HE2 H 1 3.020 0.030 . 1 . . . . A 37 LYS HE2 . 36328 1 444 . 1 . 1 37 37 LYS HE3 H 1 3.020 0.030 . 1 . . . . A 37 LYS HE3 . 36328 1 445 . 1 . 1 37 37 LYS C C 13 176.047 0.300 . 1 . . . . A 37 LYS C . 36328 1 446 . 1 . 1 37 37 LYS CA C 13 56.701 0.300 . 1 . . . . A 37 LYS CA . 36328 1 447 . 1 . 1 37 37 LYS CB C 13 34.924 0.300 . 1 . . . . A 37 LYS CB . 36328 1 448 . 1 . 1 37 37 LYS CG C 13 24.751 0.300 . 1 . . . . A 37 LYS CG . 36328 1 449 . 1 . 1 37 37 LYS CD C 13 29.364 0.300 . 1 . . . . A 37 LYS CD . 36328 1 450 . 1 . 1 37 37 LYS CE C 13 42.118 0.300 . 1 . . . . A 37 LYS CE . 36328 1 451 . 1 . 1 37 37 LYS N N 15 121.814 0.300 . 1 . . . . A 37 LYS N . 36328 1 452 . 1 . 1 38 38 ARG H H 1 7.641 0.030 . 1 . . . . A 38 ARG H . 36328 1 453 . 1 . 1 38 38 ARG HA H 1 5.119 0.030 . 1 . . . . A 38 ARG HA . 36328 1 454 . 1 . 1 38 38 ARG HB2 H 1 1.809 0.030 . 1 . . . . A 38 ARG HB2 . 36328 1 455 . 1 . 1 38 38 ARG HB3 H 1 1.809 0.030 . 1 . . . . A 38 ARG HB3 . 36328 1 456 . 1 . 1 38 38 ARG HG2 H 1 1.510 0.030 . 1 . . . . A 38 ARG HG2 . 36328 1 457 . 1 . 1 38 38 ARG HG3 H 1 1.510 0.030 . 1 . . . . A 38 ARG HG3 . 36328 1 458 . 1 . 1 38 38 ARG HD2 H 1 3.178 0.030 . 1 . . . . A 38 ARG HD2 . 36328 1 459 . 1 . 1 38 38 ARG HD3 H 1 3.178 0.030 . 1 . . . . A 38 ARG HD3 . 36328 1 460 . 1 . 1 38 38 ARG C C 13 173.547 0.300 . 1 . . . . A 38 ARG C . 36328 1 461 . 1 . 1 38 38 ARG CA C 13 55.428 0.300 . 1 . . . . A 38 ARG CA . 36328 1 462 . 1 . 1 38 38 ARG CB C 13 33.967 0.300 . 1 . . . . A 38 ARG CB . 36328 1 463 . 1 . 1 38 38 ARG CG C 13 27.793 0.300 . 1 . . . . A 38 ARG CG . 36328 1 464 . 1 . 1 38 38 ARG CD C 13 43.392 0.300 . 1 . . . . A 38 ARG CD . 36328 1 465 . 1 . 1 38 38 ARG N N 15 118.734 0.300 . 1 . . . . A 38 ARG N . 36328 1 466 . 1 . 1 39 39 ILE H H 1 8.479 0.030 . 1 . . . . A 39 ILE H . 36328 1 467 . 1 . 1 39 39 ILE HA H 1 4.961 0.030 . 1 . . . . A 39 ILE HA . 36328 1 468 . 1 . 1 39 39 ILE HB H 1 1.675 0.030 . 1 . . . . A 39 ILE HB . 36328 1 469 . 1 . 1 39 39 ILE HG12 H 1 0.929 0.030 . 2 . . . . A 39 ILE HG12 . 36328 1 470 . 1 . 1 39 39 ILE HG13 H 1 1.562 0.030 . 2 . . . . A 39 ILE HG13 . 36328 1 471 . 1 . 1 39 39 ILE HG21 H 1 0.825 0.030 . 1 . . . . A 39 ILE HG21 . 36328 1 472 . 1 . 1 39 39 ILE HG22 H 1 0.825 0.030 . 1 . . . . A 39 ILE HG22 . 36328 1 473 . 1 . 1 39 39 ILE HG23 H 1 0.825 0.030 . 1 . . . . A 39 ILE HG23 . 36328 1 474 . 1 . 1 39 39 ILE HD11 H 1 0.744 0.030 . 1 . . . . A 39 ILE HD11 . 36328 1 475 . 1 . 1 39 39 ILE HD12 H 1 0.744 0.030 . 1 . . . . A 39 ILE HD12 . 36328 1 476 . 1 . 1 39 39 ILE HD13 H 1 0.744 0.030 . 1 . . . . A 39 ILE HD13 . 36328 1 477 . 1 . 1 39 39 ILE C C 13 173.565 0.300 . 1 . . . . A 39 ILE C . 36328 1 478 . 1 . 1 39 39 ILE CA C 13 60.195 0.300 . 1 . . . . A 39 ILE CA . 36328 1 479 . 1 . 1 39 39 ILE CB C 13 41.964 0.300 . 1 . . . . A 39 ILE CB . 36328 1 480 . 1 . 1 39 39 ILE CG1 C 13 28.051 0.300 . 1 . . . . A 39 ILE CG1 . 36328 1 481 . 1 . 1 39 39 ILE CG2 C 13 16.807 0.300 . 1 . . . . A 39 ILE CG2 . 36328 1 482 . 1 . 1 39 39 ILE CD1 C 13 14.928 0.300 . 1 . . . . A 39 ILE CD1 . 36328 1 483 . 1 . 1 39 39 ILE N N 15 122.991 0.300 . 1 . . . . A 39 ILE N . 36328 1 484 . 1 . 1 40 40 GLU H H 1 9.163 0.030 . 1 . . . . A 40 GLU H . 36328 1 485 . 1 . 1 40 40 GLU HA H 1 5.035 0.030 . 1 . . . . A 40 GLU HA . 36328 1 486 . 1 . 1 40 40 GLU HB2 H 1 1.955 0.030 . 2 . . . . A 40 GLU HB2 . 36328 1 487 . 1 . 1 40 40 GLU HB3 H 1 2.041 0.030 . 2 . . . . A 40 GLU HB3 . 36328 1 488 . 1 . 1 40 40 GLU HG2 H 1 2.132 0.030 . 2 . . . . A 40 GLU HG2 . 36328 1 489 . 1 . 1 40 40 GLU HG3 H 1 2.237 0.030 . 2 . . . . A 40 GLU HG3 . 36328 1 490 . 1 . 1 40 40 GLU C C 13 174.804 0.300 . 1 . . . . A 40 GLU C . 36328 1 491 . 1 . 1 40 40 GLU CA C 13 54.866 0.300 . 1 . . . . A 40 GLU CA . 36328 1 492 . 1 . 1 40 40 GLU CB C 13 32.791 0.300 . 1 . . . . A 40 GLU CB . 36328 1 493 . 1 . 1 40 40 GLU CG C 13 36.334 0.300 . 1 . . . . A 40 GLU CG . 36328 1 494 . 1 . 1 40 40 GLU N N 15 126.357 0.300 . 1 . . . . A 40 GLU N . 36328 1 495 . 1 . 1 41 41 LEU H H 1 8.616 0.030 . 1 . . . . A 41 LEU H . 36328 1 496 . 1 . 1 41 41 LEU HA H 1 5.435 0.030 . 1 . . . . A 41 LEU HA . 36328 1 497 . 1 . 1 41 41 LEU HB2 H 1 1.327 0.030 . 2 . . . . A 41 LEU HB2 . 36328 1 498 . 1 . 1 41 41 LEU HB3 H 1 1.763 0.030 . 2 . . . . A 41 LEU HB3 . 36328 1 499 . 1 . 1 41 41 LEU C C 13 176.553 0.300 . 1 . . . . A 41 LEU C . 36328 1 500 . 1 . 1 41 41 LEU CA C 13 53.401 0.300 . 1 . . . . A 41 LEU CA . 36328 1 501 . 1 . 1 41 41 LEU CB C 13 45.704 0.300 . 1 . . . . A 41 LEU CB . 36328 1 502 . 1 . 1 41 41 LEU N N 15 123.400 0.300 . 1 . . . . A 41 LEU N . 36328 1 503 . 1 . 1 42 42 ARG H H 1 8.981 0.030 . 1 . . . . A 42 ARG H . 36328 1 504 . 1 . 1 42 42 ARG HA H 1 4.891 0.030 . 1 . . . . A 42 ARG HA . 36328 1 505 . 1 . 1 42 42 ARG HB2 H 1 1.789 0.030 . 2 . . . . A 42 ARG HB2 . 36328 1 506 . 1 . 1 42 42 ARG HB3 H 1 1.917 0.030 . 2 . . . . A 42 ARG HB3 . 36328 1 507 . 1 . 1 42 42 ARG HG2 H 1 1.655 0.030 . 1 . . . . A 42 ARG HG2 . 36328 1 508 . 1 . 1 42 42 ARG HG3 H 1 1.655 0.030 . 1 . . . . A 42 ARG HG3 . 36328 1 509 . 1 . 1 42 42 ARG HD2 H 1 3.273 0.030 . 1 . . . . A 42 ARG HD2 . 36328 1 510 . 1 . 1 42 42 ARG HD3 H 1 3.273 0.030 . 1 . . . . A 42 ARG HD3 . 36328 1 511 . 1 . 1 42 42 ARG C C 13 176.099 0.300 . 1 . . . . A 42 ARG C . 36328 1 512 . 1 . 1 42 42 ARG CA C 13 55.479 0.300 . 1 . . . . A 42 ARG CA . 36328 1 513 . 1 . 1 42 42 ARG CB C 13 33.279 0.300 . 1 . . . . A 42 ARG CB . 36328 1 514 . 1 . 1 42 42 ARG CG C 13 27.814 0.300 . 1 . . . . A 42 ARG CG . 36328 1 515 . 1 . 1 42 42 ARG CD C 13 43.491 0.300 . 1 . . . . A 42 ARG CD . 36328 1 516 . 1 . 1 42 42 ARG N N 15 122.235 0.300 . 1 . . . . A 42 ARG N . 36328 1 517 . 1 . 1 43 43 GLY H H 1 8.983 0.030 . 1 . . . . A 43 GLY H . 36328 1 518 . 1 . 1 43 43 GLY HA2 H 1 3.868 0.030 . 2 . . . . A 43 GLY HA2 . 36328 1 519 . 1 . 1 43 43 GLY HA3 H 1 4.332 0.030 . 2 . . . . A 43 GLY HA3 . 36328 1 520 . 1 . 1 43 43 GLY C C 13 174.691 0.300 . 1 . . . . A 43 GLY C . 36328 1 521 . 1 . 1 43 43 GLY CA C 13 46.167 0.300 . 1 . . . . A 43 GLY CA . 36328 1 522 . 1 . 1 43 43 GLY N N 15 112.968 0.300 . 1 . . . . A 43 GLY N . 36328 1 523 . 1 . 1 44 44 ALA H H 1 8.057 0.030 . 1 . . . . A 44 ALA H . 36328 1 524 . 1 . 1 44 44 ALA HA H 1 4.507 0.030 . 1 . . . . A 44 ALA HA . 36328 1 525 . 1 . 1 44 44 ALA HB1 H 1 1.396 0.030 . 1 . . . . A 44 ALA HB1 . 36328 1 526 . 1 . 1 44 44 ALA HB2 H 1 1.396 0.030 . 1 . . . . A 44 ALA HB2 . 36328 1 527 . 1 . 1 44 44 ALA HB3 H 1 1.396 0.030 . 1 . . . . A 44 ALA HB3 . 36328 1 528 . 1 . 1 44 44 ALA C C 13 176.825 0.300 . 1 . . . . A 44 ALA C . 36328 1 529 . 1 . 1 44 44 ALA CA C 13 51.168 0.300 . 1 . . . . A 44 ALA CA . 36328 1 530 . 1 . 1 44 44 ALA CB C 13 22.073 0.300 . 1 . . . . A 44 ALA CB . 36328 1 531 . 1 . 1 44 44 ALA N N 15 122.161 0.300 . 1 . . . . A 44 ALA N . 36328 1 532 . 1 . 1 45 45 SER H H 1 8.917 0.030 . 1 . . . . A 45 SER H . 36328 1 533 . 1 . 1 45 45 SER HA H 1 4.408 0.030 . 1 . . . . A 45 SER HA . 36328 1 534 . 1 . 1 45 45 SER HB2 H 1 4.181 0.030 . 2 . . . . A 45 SER HB2 . 36328 1 535 . 1 . 1 45 45 SER HB3 H 1 4.373 0.030 . 2 . . . . A 45 SER HB3 . 36328 1 536 . 1 . 1 45 45 SER C C 13 174.238 0.300 . 1 . . . . A 45 SER C . 36328 1 537 . 1 . 1 45 45 SER CA C 13 57.573 0.300 . 1 . . . . A 45 SER CA . 36328 1 538 . 1 . 1 45 45 SER CB C 13 64.599 0.300 . 1 . . . . A 45 SER CB . 36328 1 539 . 1 . 1 45 45 SER N N 15 118.228 0.300 . 1 . . . . A 45 SER N . 36328 1 540 . 1 . 1 46 46 GLU H H 1 8.866 0.030 . 1 . . . . A 46 GLU H . 36328 1 541 . 1 . 1 46 46 GLU HA H 1 3.981 0.030 . 1 . . . . A 46 GLU HA . 36328 1 542 . 1 . 1 46 46 GLU HB2 H 1 2.071 0.030 . 1 . . . . A 46 GLU HB2 . 36328 1 543 . 1 . 1 46 46 GLU HB3 H 1 2.071 0.030 . 1 . . . . A 46 GLU HB3 . 36328 1 544 . 1 . 1 46 46 GLU HG2 H 1 2.339 0.030 . 2 . . . . A 46 GLU HG2 . 36328 1 545 . 1 . 1 46 46 GLU HG3 H 1 2.420 0.030 . 2 . . . . A 46 GLU HG3 . 36328 1 546 . 1 . 1 46 46 GLU C C 13 179.059 0.300 . 1 . . . . A 46 GLU C . 36328 1 547 . 1 . 1 46 46 GLU CA C 13 59.754 0.300 . 1 . . . . A 46 GLU CA . 36328 1 548 . 1 . 1 46 46 GLU CB C 13 29.443 0.300 . 1 . . . . A 46 GLU CB . 36328 1 549 . 1 . 1 46 46 GLU CG C 13 36.576 0.300 . 1 . . . . A 46 GLU CG . 36328 1 550 . 1 . 1 46 46 GLU N N 15 119.933 0.300 . 1 . . . . A 46 GLU N . 36328 1 551 . 1 . 1 47 47 GLN H H 1 8.355 0.030 . 1 . . . . A 47 GLN H . 36328 1 552 . 1 . 1 47 47 GLN HA H 1 3.893 0.030 . 1 . . . . A 47 GLN HA . 36328 1 553 . 1 . 1 47 47 GLN HB2 H 1 1.987 0.030 . 2 . . . . A 47 GLN HB2 . 36328 1 554 . 1 . 1 47 47 GLN HB3 H 1 2.204 0.030 . 2 . . . . A 47 GLN HB3 . 36328 1 555 . 1 . 1 47 47 GLN HG2 H 1 2.323 0.030 . 2 . . . . A 47 GLN HG2 . 36328 1 556 . 1 . 1 47 47 GLN HG3 H 1 2.461 0.030 . 2 . . . . A 47 GLN HG3 . 36328 1 557 . 1 . 1 47 47 GLN HE21 H 1 6.956 0.030 . 2 . . . . A 47 GLN HE21 . 36328 1 558 . 1 . 1 47 47 GLN HE22 H 1 7.927 0.030 . 2 . . . . A 47 GLN HE22 . 36328 1 559 . 1 . 1 47 47 GLN C C 13 177.134 0.300 . 1 . . . . A 47 GLN C . 36328 1 560 . 1 . 1 47 47 GLN CA C 13 58.945 0.300 . 1 . . . . A 47 GLN CA . 36328 1 561 . 1 . 1 47 47 GLN CB C 13 28.389 0.300 . 1 . . . . A 47 GLN CB . 36328 1 562 . 1 . 1 47 47 GLN CG C 13 33.874 0.300 . 1 . . . . A 47 GLN CG . 36328 1 563 . 1 . 1 47 47 GLN N N 15 117.990 0.300 . 1 . . . . A 47 GLN N . 36328 1 564 . 1 . 1 47 47 GLN NE2 N 15 115.666 0.300 . 1 . . . . A 47 GLN NE2 . 36328 1 565 . 1 . 1 48 48 LEU H H 1 7.840 0.030 . 1 . . . . A 48 LEU H . 36328 1 566 . 1 . 1 48 48 LEU HA H 1 4.193 0.030 . 1 . . . . A 48 LEU HA . 36328 1 567 . 1 . 1 48 48 LEU HB2 H 1 1.518 0.030 . 2 . . . . A 48 LEU HB2 . 36328 1 568 . 1 . 1 48 48 LEU HB3 H 1 1.877 0.030 . 2 . . . . A 48 LEU HB3 . 36328 1 569 . 1 . 1 48 48 LEU HD11 H 1 0.930 0.030 . 2 . . . . A 48 LEU HD11 . 36328 1 570 . 1 . 1 48 48 LEU HD12 H 1 0.930 0.030 . 2 . . . . A 48 LEU HD12 . 36328 1 571 . 1 . 1 48 48 LEU HD13 H 1 0.930 0.030 . 2 . . . . A 48 LEU HD13 . 36328 1 572 . 1 . 1 48 48 LEU HD21 H 1 0.939 0.030 . 2 . . . . A 48 LEU HD21 . 36328 1 573 . 1 . 1 48 48 LEU HD22 H 1 0.939 0.030 . 2 . . . . A 48 LEU HD22 . 36328 1 574 . 1 . 1 48 48 LEU HD23 H 1 0.939 0.030 . 2 . . . . A 48 LEU HD23 . 36328 1 575 . 1 . 1 48 48 LEU C C 13 178.493 0.300 . 1 . . . . A 48 LEU C . 36328 1 576 . 1 . 1 48 48 LEU CA C 13 57.950 0.300 . 1 . . . . A 48 LEU CA . 36328 1 577 . 1 . 1 48 48 LEU CB C 13 41.023 0.300 . 1 . . . . A 48 LEU CB . 36328 1 578 . 1 . 1 48 48 LEU CD1 C 13 23.788 0.300 . 2 . . . . A 48 LEU CD1 . 36328 1 579 . 1 . 1 48 48 LEU CD2 C 13 26.804 0.300 . 2 . . . . A 48 LEU CD2 . 36328 1 580 . 1 . 1 48 48 LEU N N 15 121.202 0.300 . 1 . . . . A 48 LEU N . 36328 1 581 . 1 . 1 49 49 ILE H H 1 8.016 0.030 . 1 . . . . A 49 ILE H . 36328 1 582 . 1 . 1 49 49 ILE HA H 1 3.447 0.030 . 1 . . . . A 49 ILE HA . 36328 1 583 . 1 . 1 49 49 ILE HB H 1 1.899 0.030 . 1 . . . . A 49 ILE HB . 36328 1 584 . 1 . 1 49 49 ILE HG12 H 1 1.007 0.030 . 2 . . . . A 49 ILE HG12 . 36328 1 585 . 1 . 1 49 49 ILE HG13 H 1 1.649 0.030 . 2 . . . . A 49 ILE HG13 . 36328 1 586 . 1 . 1 49 49 ILE HG21 H 1 0.898 0.030 . 1 . . . . A 49 ILE HG21 . 36328 1 587 . 1 . 1 49 49 ILE HG22 H 1 0.898 0.030 . 1 . . . . A 49 ILE HG22 . 36328 1 588 . 1 . 1 49 49 ILE HG23 H 1 0.898 0.030 . 1 . . . . A 49 ILE HG23 . 36328 1 589 . 1 . 1 49 49 ILE HD11 H 1 0.796 0.030 . 1 . . . . A 49 ILE HD11 . 36328 1 590 . 1 . 1 49 49 ILE HD12 H 1 0.796 0.030 . 1 . . . . A 49 ILE HD12 . 36328 1 591 . 1 . 1 49 49 ILE HD13 H 1 0.796 0.030 . 1 . . . . A 49 ILE HD13 . 36328 1 592 . 1 . 1 49 49 ILE C C 13 178.555 0.300 . 1 . . . . A 49 ILE C . 36328 1 593 . 1 . 1 49 49 ILE CA C 13 65.464 0.300 . 1 . . . . A 49 ILE CA . 36328 1 594 . 1 . 1 49 49 ILE CB C 13 37.654 0.300 . 1 . . . . A 49 ILE CB . 36328 1 595 . 1 . 1 49 49 ILE CG1 C 13 29.274 0.300 . 1 . . . . A 49 ILE CG1 . 36328 1 596 . 1 . 1 49 49 ILE CG2 C 13 17.272 0.300 . 1 . . . . A 49 ILE CG2 . 36328 1 597 . 1 . 1 49 49 ILE CD1 C 13 12.982 0.300 . 1 . . . . A 49 ILE CD1 . 36328 1 598 . 1 . 1 49 49 ILE N N 15 118.775 0.300 . 1 . . . . A 49 ILE N . 36328 1 599 . 1 . 1 50 50 ARG H H 1 7.955 0.030 . 1 . . . . A 50 ARG H . 36328 1 600 . 1 . 1 50 50 ARG HA H 1 4.086 0.030 . 1 . . . . A 50 ARG HA . 36328 1 601 . 1 . 1 50 50 ARG HB2 H 1 1.989 0.030 . 1 . . . . A 50 ARG HB2 . 36328 1 602 . 1 . 1 50 50 ARG HB3 H 1 1.989 0.030 . 1 . . . . A 50 ARG HB3 . 36328 1 603 . 1 . 1 50 50 ARG HG2 H 1 1.657 0.030 . 2 . . . . A 50 ARG HG2 . 36328 1 604 . 1 . 1 50 50 ARG HG3 H 1 1.870 0.030 . 2 . . . . A 50 ARG HG3 . 36328 1 605 . 1 . 1 50 50 ARG HD2 H 1 3.236 0.030 . 2 . . . . A 50 ARG HD2 . 36328 1 606 . 1 . 1 50 50 ARG HD3 H 1 3.258 0.030 . 2 . . . . A 50 ARG HD3 . 36328 1 607 . 1 . 1 50 50 ARG C C 13 179.630 0.300 . 1 . . . . A 50 ARG C . 36328 1 608 . 1 . 1 50 50 ARG CA C 13 59.707 0.300 . 1 . . . . A 50 ARG CA . 36328 1 609 . 1 . 1 50 50 ARG CB C 13 29.962 0.300 . 1 . . . . A 50 ARG CB . 36328 1 610 . 1 . 1 50 50 ARG CG C 13 27.792 0.300 . 1 . . . . A 50 ARG CG . 36328 1 611 . 1 . 1 50 50 ARG CD C 13 43.536 0.300 . 1 . . . . A 50 ARG CD . 36328 1 612 . 1 . 1 50 50 ARG N N 15 119.883 0.300 . 1 . . . . A 50 ARG N . 36328 1 613 . 1 . 1 51 51 ASP H H 1 8.541 0.030 . 1 . . . . A 51 ASP H . 36328 1 614 . 1 . 1 51 51 ASP HA H 1 4.466 0.030 . 1 . . . . A 51 ASP HA . 36328 1 615 . 1 . 1 51 51 ASP HB2 H 1 2.645 0.030 . 2 . . . . A 51 ASP HB2 . 36328 1 616 . 1 . 1 51 51 ASP HB3 H 1 2.887 0.030 . 2 . . . . A 51 ASP HB3 . 36328 1 617 . 1 . 1 51 51 ASP C C 13 179.265 0.300 . 1 . . . . A 51 ASP C . 36328 1 618 . 1 . 1 51 51 ASP CA C 13 57.448 0.300 . 1 . . . . A 51 ASP CA . 36328 1 619 . 1 . 1 51 51 ASP CB C 13 39.991 0.300 . 1 . . . . A 51 ASP CB . 36328 1 620 . 1 . 1 51 51 ASP N N 15 121.202 0.300 . 1 . . . . A 51 ASP N . 36328 1 621 . 1 . 1 52 52 MET H H 1 8.633 0.030 . 1 . . . . A 52 MET H . 36328 1 622 . 1 . 1 52 52 MET HA H 1 4.258 0.030 . 1 . . . . A 52 MET HA . 36328 1 623 . 1 . 1 52 52 MET HB2 H 1 1.951 0.030 . 2 . . . . A 52 MET HB2 . 36328 1 624 . 1 . 1 52 52 MET HB3 H 1 2.414 0.030 . 2 . . . . A 52 MET HB3 . 36328 1 625 . 1 . 1 52 52 MET C C 13 177.764 0.300 . 1 . . . . A 52 MET C . 36328 1 626 . 1 . 1 52 52 MET CA C 13 57.324 0.300 . 1 . . . . A 52 MET CA . 36328 1 627 . 1 . 1 52 52 MET CB C 13 32.152 0.300 . 1 . . . . A 52 MET CB . 36328 1 628 . 1 . 1 52 52 MET CG C 13 32.087 0.300 . 1 . . . . A 52 MET CG . 36328 1 629 . 1 . 1 52 52 MET CE C 13 14.199 0.300 . 1 . . . . A 52 MET CE . 36328 1 630 . 1 . 1 52 52 MET N N 15 120.183 0.300 . 1 . . . . A 52 MET N . 36328 1 631 . 1 . 1 53 53 GLN H H 1 8.138 0.030 . 1 . . . . A 53 GLN H . 36328 1 632 . 1 . 1 53 53 GLN HA H 1 3.926 0.030 . 1 . . . . A 53 GLN HA . 36328 1 633 . 1 . 1 53 53 GLN HB2 H 1 2.159 0.030 . 2 . . . . A 53 GLN HB2 . 36328 1 634 . 1 . 1 53 53 GLN HB3 H 1 2.397 0.030 . 2 . . . . A 53 GLN HB3 . 36328 1 635 . 1 . 1 53 53 GLN HG2 H 1 2.626 0.030 . 1 . . . . A 53 GLN HG2 . 36328 1 636 . 1 . 1 53 53 GLN HG3 H 1 2.626 0.030 . 1 . . . . A 53 GLN HG3 . 36328 1 637 . 1 . 1 53 53 GLN HE21 H 1 6.910 0.030 . 2 . . . . A 53 GLN HE21 . 36328 1 638 . 1 . 1 53 53 GLN HE22 H 1 7.289 0.030 . 2 . . . . A 53 GLN HE22 . 36328 1 639 . 1 . 1 53 53 GLN C C 13 178.824 0.300 . 1 . . . . A 53 GLN C . 36328 1 640 . 1 . 1 53 53 GLN CA C 13 59.297 0.300 . 1 . . . . A 53 GLN CA . 36328 1 641 . 1 . 1 53 53 GLN CB C 13 28.480 0.300 . 1 . . . . A 53 GLN CB . 36328 1 642 . 1 . 1 53 53 GLN CG C 13 34.320 0.300 . 1 . . . . A 53 GLN CG . 36328 1 643 . 1 . 1 53 53 GLN N N 15 118.791 0.300 . 1 . . . . A 53 GLN N . 36328 1 644 . 1 . 1 53 53 GLN NE2 N 15 110.898 0.300 . 1 . . . . A 53 GLN NE2 . 36328 1 645 . 1 . 1 54 54 GLU H H 1 7.808 0.030 . 1 . . . . A 54 GLU H . 36328 1 646 . 1 . 1 54 54 GLU HA H 1 4.207 0.030 . 1 . . . . A 54 GLU HA . 36328 1 647 . 1 . 1 54 54 GLU HB2 H 1 2.205 0.030 . 1 . . . . A 54 GLU HB2 . 36328 1 648 . 1 . 1 54 54 GLU HB3 H 1 2.205 0.030 . 1 . . . . A 54 GLU HB3 . 36328 1 649 . 1 . 1 54 54 GLU HG2 H 1 2.415 0.030 . 1 . . . . A 54 GLU HG2 . 36328 1 650 . 1 . 1 54 54 GLU HG3 H 1 2.415 0.030 . 1 . . . . A 54 GLU HG3 . 36328 1 651 . 1 . 1 54 54 GLU C C 13 179.066 0.300 . 1 . . . . A 54 GLU C . 36328 1 652 . 1 . 1 54 54 GLU CA C 13 59.057 0.300 . 1 . . . . A 54 GLU CA . 36328 1 653 . 1 . 1 54 54 GLU CB C 13 29.435 0.300 . 1 . . . . A 54 GLU CB . 36328 1 654 . 1 . 1 54 54 GLU CG C 13 35.801 0.300 . 1 . . . . A 54 GLU CG . 36328 1 655 . 1 . 1 54 54 GLU N N 15 119.156 0.300 . 1 . . . . A 54 GLU N . 36328 1 656 . 1 . 1 55 55 ILE H H 1 8.063 0.030 . 1 . . . . A 55 ILE H . 36328 1 657 . 1 . 1 55 55 ILE HA H 1 3.836 0.030 . 1 . . . . A 55 ILE HA . 36328 1 658 . 1 . 1 55 55 ILE HB H 1 1.899 0.030 . 1 . . . . A 55 ILE HB . 36328 1 659 . 1 . 1 55 55 ILE HG12 H 1 1.165 0.030 . 1 . . . . A 55 ILE HG12 . 36328 1 660 . 1 . 1 55 55 ILE HG13 H 1 1.165 0.030 . 1 . . . . A 55 ILE HG13 . 36328 1 661 . 1 . 1 55 55 ILE HG21 H 1 0.866 0.030 . 1 . . . . A 55 ILE HG21 . 36328 1 662 . 1 . 1 55 55 ILE HG22 H 1 0.866 0.030 . 1 . . . . A 55 ILE HG22 . 36328 1 663 . 1 . 1 55 55 ILE HG23 H 1 0.866 0.030 . 1 . . . . A 55 ILE HG23 . 36328 1 664 . 1 . 1 55 55 ILE HD11 H 1 0.822 0.030 . 1 . . . . A 55 ILE HD11 . 36328 1 665 . 1 . 1 55 55 ILE HD12 H 1 0.822 0.030 . 1 . . . . A 55 ILE HD12 . 36328 1 666 . 1 . 1 55 55 ILE HD13 H 1 0.822 0.030 . 1 . . . . A 55 ILE HD13 . 36328 1 667 . 1 . 1 55 55 ILE C C 13 178.099 0.300 . 1 . . . . A 55 ILE C . 36328 1 668 . 1 . 1 55 55 ILE CA C 13 64.771 0.300 . 1 . . . . A 55 ILE CA . 36328 1 669 . 1 . 1 55 55 ILE CB C 13 38.456 0.300 . 1 . . . . A 55 ILE CB . 36328 1 670 . 1 . 1 55 55 ILE CG1 C 13 29.221 0.300 . 1 . . . . A 55 ILE CG1 . 36328 1 671 . 1 . 1 55 55 ILE CG2 C 13 17.526 0.300 . 1 . . . . A 55 ILE CG2 . 36328 1 672 . 1 . 1 55 55 ILE CD1 C 13 13.278 0.300 . 1 . . . . A 55 ILE CD1 . 36328 1 673 . 1 . 1 55 55 ILE N N 15 120.705 0.300 . 1 . . . . A 55 ILE N . 36328 1 674 . 1 . 1 56 56 ALA H H 1 8.409 0.030 . 1 . . . . A 56 ALA H . 36328 1 675 . 1 . 1 56 56 ALA HA H 1 3.997 0.030 . 1 . . . . A 56 ALA HA . 36328 1 676 . 1 . 1 56 56 ALA HB1 H 1 1.499 0.030 . 1 . . . . A 56 ALA HB1 . 36328 1 677 . 1 . 1 56 56 ALA HB2 H 1 1.499 0.030 . 1 . . . . A 56 ALA HB2 . 36328 1 678 . 1 . 1 56 56 ALA HB3 H 1 1.499 0.030 . 1 . . . . A 56 ALA HB3 . 36328 1 679 . 1 . 1 56 56 ALA C C 13 179.678 0.300 . 1 . . . . A 56 ALA C . 36328 1 680 . 1 . 1 56 56 ALA CA C 13 55.148 0.300 . 1 . . . . A 56 ALA CA . 36328 1 681 . 1 . 1 56 56 ALA CB C 13 18.544 0.300 . 1 . . . . A 56 ALA CB . 36328 1 682 . 1 . 1 56 56 ALA N N 15 120.680 0.300 . 1 . . . . A 56 ALA N . 36328 1 683 . 1 . 1 57 57 LYS H H 1 7.806 0.030 . 1 . . . . A 57 LYS H . 36328 1 684 . 1 . 1 57 57 LYS HA H 1 4.201 0.030 . 1 . . . . A 57 LYS HA . 36328 1 685 . 1 . 1 57 57 LYS HB2 H 1 2.028 0.030 . 1 . . . . A 57 LYS HB2 . 36328 1 686 . 1 . 1 57 57 LYS HB3 H 1 2.028 0.030 . 1 . . . . A 57 LYS HB3 . 36328 1 687 . 1 . 1 57 57 LYS HG2 H 1 1.509 0.030 . 2 . . . . A 57 LYS HG2 . 36328 1 688 . 1 . 1 57 57 LYS HG3 H 1 1.659 0.030 . 2 . . . . A 57 LYS HG3 . 36328 1 689 . 1 . 1 57 57 LYS HE2 H 1 3.023 0.030 . 1 . . . . A 57 LYS HE2 . 36328 1 690 . 1 . 1 57 57 LYS HE3 H 1 3.023 0.030 . 1 . . . . A 57 LYS HE3 . 36328 1 691 . 1 . 1 57 57 LYS C C 13 178.950 0.300 . 1 . . . . A 57 LYS C . 36328 1 692 . 1 . 1 57 57 LYS CA C 13 59.030 0.300 . 1 . . . . A 57 LYS CA . 36328 1 693 . 1 . 1 57 57 LYS CB C 13 32.641 0.300 . 1 . . . . A 57 LYS CB . 36328 1 694 . 1 . 1 57 57 LYS CG C 13 25.081 0.300 . 1 . . . . A 57 LYS CG . 36328 1 695 . 1 . 1 57 57 LYS CE C 13 42.136 0.300 . 1 . . . . A 57 LYS CE . 36328 1 696 . 1 . 1 57 57 LYS N N 15 117.535 0.300 . 1 . . . . A 57 LYS N . 36328 1 697 . 1 . 1 58 58 GLN H H 1 8.005 0.030 . 1 . . . . A 58 GLN H . 36328 1 698 . 1 . 1 58 58 GLN HA H 1 4.199 0.030 . 1 . . . . A 58 GLN HA . 36328 1 699 . 1 . 1 58 58 GLN HB2 H 1 2.257 0.030 . 1 . . . . A 58 GLN HB2 . 36328 1 700 . 1 . 1 58 58 GLN HB3 H 1 2.257 0.030 . 1 . . . . A 58 GLN HB3 . 36328 1 701 . 1 . 1 58 58 GLN HG2 H 1 2.485 0.030 . 2 . . . . A 58 GLN HG2 . 36328 1 702 . 1 . 1 58 58 GLN HG3 H 1 2.603 0.030 . 2 . . . . A 58 GLN HG3 . 36328 1 703 . 1 . 1 58 58 GLN HE21 H 1 6.827 0.030 . 2 . . . . A 58 GLN HE21 . 36328 1 704 . 1 . 1 58 58 GLN HE22 H 1 7.565 0.030 . 2 . . . . A 58 GLN HE22 . 36328 1 705 . 1 . 1 58 58 GLN C C 13 177.860 0.300 . 1 . . . . A 58 GLN C . 36328 1 706 . 1 . 1 58 58 GLN CA C 13 58.188 0.300 . 1 . . . . A 58 GLN CA . 36328 1 707 . 1 . 1 58 58 GLN CB C 13 29.054 0.300 . 1 . . . . A 58 GLN CB . 36328 1 708 . 1 . 1 58 58 GLN CG C 13 33.912 0.300 . 1 . . . . A 58 GLN CG . 36328 1 709 . 1 . 1 58 58 GLN N N 15 117.986 0.300 . 1 . . . . A 58 GLN N . 36328 1 710 . 1 . 1 58 58 GLN NE2 N 15 111.423 0.300 . 1 . . . . A 58 GLN NE2 . 36328 1 711 . 1 . 1 59 59 ILE H H 1 7.850 0.030 . 1 . . . . A 59 ILE H . 36328 1 712 . 1 . 1 59 59 ILE HA H 1 4.460 0.030 . 1 . . . . A 59 ILE HA . 36328 1 713 . 1 . 1 59 59 ILE HB H 1 2.092 0.030 . 1 . . . . A 59 ILE HB . 36328 1 714 . 1 . 1 59 59 ILE HG12 H 1 1.430 0.030 . 1 . . . . A 59 ILE HG12 . 36328 1 715 . 1 . 1 59 59 ILE HG13 H 1 1.430 0.030 . 1 . . . . A 59 ILE HG13 . 36328 1 716 . 1 . 1 59 59 ILE HG21 H 1 0.968 0.030 . 1 . . . . A 59 ILE HG21 . 36328 1 717 . 1 . 1 59 59 ILE HG22 H 1 0.968 0.030 . 1 . . . . A 59 ILE HG22 . 36328 1 718 . 1 . 1 59 59 ILE HG23 H 1 0.968 0.030 . 1 . . . . A 59 ILE HG23 . 36328 1 719 . 1 . 1 59 59 ILE HD11 H 1 0.850 0.030 . 1 . . . . A 59 ILE HD11 . 36328 1 720 . 1 . 1 59 59 ILE HD12 H 1 0.850 0.030 . 1 . . . . A 59 ILE HD12 . 36328 1 721 . 1 . 1 59 59 ILE HD13 H 1 0.850 0.030 . 1 . . . . A 59 ILE HD13 . 36328 1 722 . 1 . 1 59 59 ILE C C 13 176.537 0.300 . 1 . . . . A 59 ILE C . 36328 1 723 . 1 . 1 59 59 ILE CA C 13 61.048 0.300 . 1 . . . . A 59 ILE CA . 36328 1 724 . 1 . 1 59 59 ILE CB C 13 38.878 0.300 . 1 . . . . A 59 ILE CB . 36328 1 725 . 1 . 1 59 59 ILE CG1 C 13 27.289 0.300 . 1 . . . . A 59 ILE CG1 . 36328 1 726 . 1 . 1 59 59 ILE CG2 C 13 17.797 0.300 . 1 . . . . A 59 ILE CG2 . 36328 1 727 . 1 . 1 59 59 ILE CD1 C 13 13.825 0.300 . 1 . . . . A 59 ILE CD1 . 36328 1 728 . 1 . 1 59 59 ILE N N 15 113.293 0.300 . 1 . . . . A 59 ILE N . 36328 1 729 . 1 . 1 60 60 GLY H H 1 7.973 0.030 . 1 . . . . A 60 GLY H . 36328 1 730 . 1 . 1 60 60 GLY HA2 H 1 3.966 0.030 . 2 . . . . A 60 GLY HA2 . 36328 1 731 . 1 . 1 60 60 GLY HA3 H 1 4.124 0.030 . 2 . . . . A 60 GLY HA3 . 36328 1 732 . 1 . 1 60 60 GLY C C 13 174.520 0.300 . 1 . . . . A 60 GLY C . 36328 1 733 . 1 . 1 60 60 GLY CA C 13 46.435 0.300 . 1 . . . . A 60 GLY CA . 36328 1 734 . 1 . 1 60 60 GLY N N 15 110.237 0.300 . 1 . . . . A 60 GLY N . 36328 1 735 . 1 . 1 61 61 LEU H H 1 7.858 0.030 . 1 . . . . A 61 LEU H . 36328 1 736 . 1 . 1 61 61 LEU HA H 1 4.591 0.030 . 1 . . . . A 61 LEU HA . 36328 1 737 . 1 . 1 61 61 LEU HB2 H 1 1.537 0.030 . 1 . . . . A 61 LEU HB2 . 36328 1 738 . 1 . 1 61 61 LEU HB3 H 1 1.537 0.030 . 1 . . . . A 61 LEU HB3 . 36328 1 739 . 1 . 1 61 61 LEU HD11 H 1 0.771 0.030 . 1 . . . . A 61 LEU HD11 . 36328 1 740 . 1 . 1 61 61 LEU HD12 H 1 0.771 0.030 . 1 . . . . A 61 LEU HD12 . 36328 1 741 . 1 . 1 61 61 LEU HD13 H 1 0.771 0.030 . 1 . . . . A 61 LEU HD13 . 36328 1 742 . 1 . 1 61 61 LEU C C 13 176.174 0.300 . 1 . . . . A 61 LEU C . 36328 1 743 . 1 . 1 61 61 LEU CA C 13 54.502 0.300 . 1 . . . . A 61 LEU CA . 36328 1 744 . 1 . 1 61 61 LEU CB C 13 44.014 0.300 . 1 . . . . A 61 LEU CB . 36328 1 745 . 1 . 1 61 61 LEU CD1 C 13 24.494 0.300 . 1 . . . . A 61 LEU CD1 . 36328 1 746 . 1 . 1 61 61 LEU CD2 C 13 24.494 0.300 . 1 . . . . A 61 LEU CD2 . 36328 1 747 . 1 . 1 61 61 LEU N N 15 120.828 0.300 . 1 . . . . A 61 LEU N . 36328 1 748 . 1 . 1 62 62 GLN H H 1 8.362 0.030 . 1 . . . . A 62 GLN H . 36328 1 749 . 1 . 1 62 62 GLN HA H 1 4.530 0.030 . 1 . . . . A 62 GLN HA . 36328 1 750 . 1 . 1 62 62 GLN HB2 H 1 2.009 0.030 . 2 . . . . A 62 GLN HB2 . 36328 1 751 . 1 . 1 62 62 GLN HB3 H 1 2.067 0.030 . 2 . . . . A 62 GLN HB3 . 36328 1 752 . 1 . 1 62 62 GLN HG2 H 1 2.326 0.030 . 2 . . . . A 62 GLN HG2 . 36328 1 753 . 1 . 1 62 62 GLN HG3 H 1 2.376 0.030 . 2 . . . . A 62 GLN HG3 . 36328 1 754 . 1 . 1 62 62 GLN C C 13 174.694 0.300 . 1 . . . . A 62 GLN C . 36328 1 755 . 1 . 1 62 62 GLN CA C 13 55.379 0.300 . 1 . . . . A 62 GLN CA . 36328 1 756 . 1 . 1 62 62 GLN CB C 13 30.058 0.300 . 1 . . . . A 62 GLN CB . 36328 1 757 . 1 . 1 62 62 GLN CG C 13 33.915 0.300 . 1 . . . . A 62 GLN CG . 36328 1 758 . 1 . 1 62 62 GLN N N 15 121.457 0.300 . 1 . . . . A 62 GLN N . 36328 1 759 . 1 . 1 63 63 TYR H H 1 8.390 0.030 . 1 . . . . A 63 TYR H . 36328 1 760 . 1 . 1 63 63 TYR HA H 1 5.284 0.030 . 1 . . . . A 63 TYR HA . 36328 1 761 . 1 . 1 63 63 TYR HB2 H 1 2.830 0.030 . 2 . . . . A 63 TYR HB2 . 36328 1 762 . 1 . 1 63 63 TYR HB3 H 1 2.857 0.030 . 2 . . . . A 63 TYR HB3 . 36328 1 763 . 1 . 1 63 63 TYR HD1 H 1 6.955 0.030 . 1 . . . . A 63 TYR HD1 . 36328 1 764 . 1 . 1 63 63 TYR HD2 H 1 6.955 0.030 . 1 . . . . A 63 TYR HD2 . 36328 1 765 . 1 . 1 63 63 TYR HE1 H 1 6.766 0.030 . 1 . . . . A 63 TYR HE1 . 36328 1 766 . 1 . 1 63 63 TYR HE2 H 1 6.766 0.030 . 1 . . . . A 63 TYR HE2 . 36328 1 767 . 1 . 1 63 63 TYR C C 13 174.756 0.300 . 1 . . . . A 63 TYR C . 36328 1 768 . 1 . 1 63 63 TYR CA C 13 56.825 0.300 . 1 . . . . A 63 TYR CA . 36328 1 769 . 1 . 1 63 63 TYR CB C 13 40.590 0.300 . 1 . . . . A 63 TYR CB . 36328 1 770 . 1 . 1 63 63 TYR CD1 C 13 132.844 0.300 . 1 . . . . A 63 TYR CD1 . 36328 1 771 . 1 . 1 63 63 TYR CD2 C 13 132.844 0.300 . 1 . . . . A 63 TYR CD2 . 36328 1 772 . 1 . 1 63 63 TYR CE1 C 13 118.311 0.300 . 1 . . . . A 63 TYR CE1 . 36328 1 773 . 1 . 1 63 63 TYR CE2 C 13 118.311 0.300 . 1 . . . . A 63 TYR CE2 . 36328 1 774 . 1 . 1 63 63 TYR N N 15 122.647 0.300 . 1 . . . . A 63 TYR N . 36328 1 775 . 1 . 1 64 64 ARG H H 1 8.277 0.030 . 1 . . . . A 64 ARG H . 36328 1 776 . 1 . 1 64 64 ARG HA H 1 4.542 0.030 . 1 . . . . A 64 ARG HA . 36328 1 777 . 1 . 1 64 64 ARG HB2 H 1 1.798 0.030 . 2 . . . . A 64 ARG HB2 . 36328 1 778 . 1 . 1 64 64 ARG HB3 H 1 1.882 0.030 . 2 . . . . A 64 ARG HB3 . 36328 1 779 . 1 . 1 64 64 ARG HG2 H 1 1.597 0.030 . 1 . . . . A 64 ARG HG2 . 36328 1 780 . 1 . 1 64 64 ARG HG3 H 1 1.597 0.030 . 1 . . . . A 64 ARG HG3 . 36328 1 781 . 1 . 1 64 64 ARG HD2 H 1 3.183 0.030 . 1 . . . . A 64 ARG HD2 . 36328 1 782 . 1 . 1 64 64 ARG HD3 H 1 3.183 0.030 . 1 . . . . A 64 ARG HD3 . 36328 1 783 . 1 . 1 64 64 ARG C C 13 175.886 0.300 . 1 . . . . A 64 ARG C . 36328 1 784 . 1 . 1 64 64 ARG CA C 13 55.300 0.300 . 1 . . . . A 64 ARG CA . 36328 1 785 . 1 . 1 64 64 ARG CB C 13 32.619 0.300 . 1 . . . . A 64 ARG CB . 36328 1 786 . 1 . 1 64 64 ARG CG C 13 27.234 0.300 . 1 . . . . A 64 ARG CG . 36328 1 787 . 1 . 1 64 64 ARG CD C 13 43.416 0.300 . 1 . . . . A 64 ARG CD . 36328 1 788 . 1 . 1 64 64 ARG N N 15 123.906 0.300 . 1 . . . . A 64 ARG N . 36328 1 789 . 1 . 1 65 65 THR H H 1 8.462 0.030 . 1 . . . . A 65 THR H . 36328 1 790 . 1 . 1 65 65 THR HA H 1 4.608 0.030 . 1 . . . . A 65 THR HA . 36328 1 791 . 1 . 1 65 65 THR HB H 1 4.350 0.030 . 1 . . . . A 65 THR HB . 36328 1 792 . 1 . 1 65 65 THR HG21 H 1 1.255 0.030 . 1 . . . . A 65 THR HG21 . 36328 1 793 . 1 . 1 65 65 THR HG22 H 1 1.255 0.030 . 1 . . . . A 65 THR HG22 . 36328 1 794 . 1 . 1 65 65 THR HG23 H 1 1.255 0.030 . 1 . . . . A 65 THR HG23 . 36328 1 795 . 1 . 1 65 65 THR C C 13 174.394 0.300 . 1 . . . . A 65 THR C . 36328 1 796 . 1 . 1 65 65 THR CA C 13 61.972 0.300 . 1 . . . . A 65 THR CA . 36328 1 797 . 1 . 1 65 65 THR CB C 13 69.812 0.300 . 1 . . . . A 65 THR CB . 36328 1 798 . 1 . 1 65 65 THR CG2 C 13 21.893 0.300 . 1 . . . . A 65 THR CG2 . 36328 1 799 . 1 . 1 65 65 THR N N 15 114.294 0.300 . 1 . . . . A 65 THR N . 36328 1 800 . 1 . 1 66 66 ASP H H 1 8.218 0.030 . 1 . . . . A 66 ASP H . 36328 1 801 . 1 . 1 66 66 ASP HA H 1 4.688 0.030 . 1 . . . . A 66 ASP HA . 36328 1 802 . 1 . 1 66 66 ASP HB2 H 1 2.739 0.030 . 2 . . . . A 66 ASP HB2 . 36328 1 803 . 1 . 1 66 66 ASP HB3 H 1 2.875 0.030 . 2 . . . . A 66 ASP HB3 . 36328 1 804 . 1 . 1 66 66 ASP C C 13 176.675 0.300 . 1 . . . . A 66 ASP C . 36328 1 805 . 1 . 1 66 66 ASP CA C 13 54.072 0.300 . 1 . . . . A 66 ASP CA . 36328 1 806 . 1 . 1 66 66 ASP CB C 13 41.213 0.300 . 1 . . . . A 66 ASP CB . 36328 1 807 . 1 . 1 66 66 ASP N N 15 121.132 0.300 . 1 . . . . A 66 ASP N . 36328 1 808 . 1 . 1 67 67 GLY H H 1 8.482 0.030 . 1 . . . . A 67 GLY H . 36328 1 809 . 1 . 1 67 67 GLY HA2 H 1 4.003 0.030 . 2 . . . . A 67 GLY HA2 . 36328 1 810 . 1 . 1 67 67 GLY HA3 H 1 4.086 0.030 . 2 . . . . A 67 GLY HA3 . 36328 1 811 . 1 . 1 67 67 GLY C C 13 174.299 0.300 . 1 . . . . A 67 GLY C . 36328 1 812 . 1 . 1 67 67 GLY CA C 13 45.596 0.300 . 1 . . . . A 67 GLY CA . 36328 1 813 . 1 . 1 67 67 GLY N N 15 109.591 0.300 . 1 . . . . A 67 GLY N . 36328 1 814 . 1 . 1 68 68 SER H H 1 8.231 0.030 . 1 . . . . A 68 SER H . 36328 1 815 . 1 . 1 68 68 SER HA H 1 4.513 0.030 . 1 . . . . A 68 SER HA . 36328 1 816 . 1 . 1 68 68 SER HB2 H 1 3.916 0.030 . 1 . . . . A 68 SER HB2 . 36328 1 817 . 1 . 1 68 68 SER HB3 H 1 3.916 0.030 . 1 . . . . A 68 SER HB3 . 36328 1 818 . 1 . 1 68 68 SER C C 13 174.434 0.300 . 1 . . . . A 68 SER C . 36328 1 819 . 1 . 1 68 68 SER CA C 13 58.945 0.300 . 1 . . . . A 68 SER CA . 36328 1 820 . 1 . 1 68 68 SER CB C 13 64.090 0.300 . 1 . . . . A 68 SER CB . 36328 1 821 . 1 . 1 68 68 SER N N 15 115.658 0.300 . 1 . . . . A 68 SER N . 36328 1 822 . 1 . 1 69 69 LEU H H 1 8.295 0.030 . 1 . . . . A 69 LEU H . 36328 1 823 . 1 . 1 69 69 LEU HA H 1 4.521 0.030 . 1 . . . . A 69 LEU HA . 36328 1 824 . 1 . 1 69 69 LEU HB2 H 1 1.546 0.030 . 2 . . . . A 69 LEU HB2 . 36328 1 825 . 1 . 1 69 69 LEU HB3 H 1 1.638 0.030 . 2 . . . . A 69 LEU HB3 . 36328 1 826 . 1 . 1 69 69 LEU HD11 H 1 0.860 0.030 . 2 . . . . A 69 LEU HD11 . 36328 1 827 . 1 . 1 69 69 LEU HD12 H 1 0.860 0.030 . 2 . . . . A 69 LEU HD12 . 36328 1 828 . 1 . 1 69 69 LEU HD13 H 1 0.860 0.030 . 2 . . . . A 69 LEU HD13 . 36328 1 829 . 1 . 1 69 69 LEU HD21 H 1 0.897 0.030 . 2 . . . . A 69 LEU HD21 . 36328 1 830 . 1 . 1 69 69 LEU HD22 H 1 0.897 0.030 . 2 . . . . A 69 LEU HD22 . 36328 1 831 . 1 . 1 69 69 LEU HD23 H 1 0.897 0.030 . 2 . . . . A 69 LEU HD23 . 36328 1 832 . 1 . 1 69 69 LEU C C 13 177.245 0.300 . 1 . . . . A 69 LEU C . 36328 1 833 . 1 . 1 69 69 LEU CA C 13 55.210 0.300 . 1 . . . . A 69 LEU CA . 36328 1 834 . 1 . 1 69 69 LEU CB C 13 42.683 0.300 . 1 . . . . A 69 LEU CB . 36328 1 835 . 1 . 1 69 69 LEU CD1 C 13 23.946 0.300 . 2 . . . . A 69 LEU CD1 . 36328 1 836 . 1 . 1 69 69 LEU CD2 C 13 25.242 0.300 . 2 . . . . A 69 LEU CD2 . 36328 1 837 . 1 . 1 69 69 LEU N N 15 123.033 0.300 . 1 . . . . A 69 LEU N . 36328 1 838 . 1 . 1 70 70 GLU H H 1 8.348 0.030 . 1 . . . . A 70 GLU H . 36328 1 839 . 1 . 1 70 70 GLU HA H 1 4.329 0.030 . 1 . . . . A 70 GLU HA . 36328 1 840 . 1 . 1 70 70 GLU HB2 H 1 1.890 0.030 . 2 . . . . A 70 GLU HB2 . 36328 1 841 . 1 . 1 70 70 GLU HB3 H 1 1.943 0.030 . 2 . . . . A 70 GLU HB3 . 36328 1 842 . 1 . 1 70 70 GLU HG2 H 1 2.200 0.030 . 1 . . . . A 70 GLU HG2 . 36328 1 843 . 1 . 1 70 70 GLU HG3 H 1 2.200 0.030 . 1 . . . . A 70 GLU HG3 . 36328 1 844 . 1 . 1 70 70 GLU CA C 13 56.298 0.300 . 1 . . . . A 70 GLU CA . 36328 1 845 . 1 . 1 70 70 GLU CB C 13 30.989 0.300 . 1 . . . . A 70 GLU CB . 36328 1 846 . 1 . 1 70 70 GLU CG C 13 36.108 0.300 . 1 . . . . A 70 GLU CG . 36328 1 847 . 1 . 1 70 70 GLU N N 15 120.916 0.300 . 1 . . . . A 70 GLU N . 36328 1 848 . 1 . 1 71 71 HIS H H 1 8.355 0.030 . 1 . . . . A 71 HIS H . 36328 1 849 . 1 . 1 71 71 HIS HA H 1 3.902 0.030 . 1 . . . . A 71 HIS HA . 36328 1 850 . 1 . 1 71 71 HIS CA C 13 59.006 0.300 . 1 . . . . A 71 HIS CA . 36328 1 851 . 1 . 1 71 71 HIS CB C 13 28.411 0.300 . 1 . . . . A 71 HIS CB . 36328 1 852 . 1 . 1 72 72 HIS HA H 1 3.919 0.030 . 1 . . . . A 72 HIS HA . 36328 1 853 . 1 . 1 72 72 HIS CA C 13 59.151 0.300 . 1 . . . . A 72 HIS CA . 36328 1 854 . 1 . 1 72 72 HIS CB C 13 28.439 0.300 . 1 . . . . A 72 HIS CB . 36328 1 stop_ save_