data_36333 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36333 _Entry.Title ; Solution NMR structure of NF8 (knot fold); de novo designed protein with a novel fold ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-24 _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' 36333 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. . . . 36333 2 T. Sugiki T. . . . 36333 3 T. Fujiwara T. . . . 36333 4 S. Minami S. . . . 36333 5 R. Koga R. . . . 36333 6 G. Chikenji G. . . . 36333 7 N. Koga N. . . . 36333 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 36333 'de novo designed protein' . 36333 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36333 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 371 36333 '15N chemical shifts' 84 36333 '1H chemical shifts' 588 36333 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 2020-03-24 update BMRB 'update entry citation' 36333 1 . . 2021-03-29 2020-03-24 original author 'original release' 36333 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' 36333 BMRB 36328 'Solution NMR structure of NF2; de novo designed protein with a novel fold' 36333 BMRB 36329 'Solution NMR structure of NF7; de novo designed protein with a novel fold' 36333 BMRB 36330 'Solution NMR structure of NF5; de novo designed protein with a novel fold' 36333 BMRB 36331 'Solution NMR structure of NF6; de novo designed protein with a novel fold' 36333 BMRB 36332 'Solution NMR structure of NF4; de novo designed protein with a novel fold' 36333 BMRB 36334 'Solution NMR structure of NF3; de novo designed protein with a novel fold' 36333 PDB 7BQD . 36333 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36333 _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. . . . 36333 1 2 N. Kobayashi N. . . . 36333 1 3 T. Sugiki T. . . . 36333 1 4 T. Nagashima T. . . . 36333 1 5 T. Fujiwara T. . . . 36333 1 6 R. Koga R. . . . 36333 1 7 G. Chikenji G. . . . 36333 1 8 N. Koga N. . . . 36333 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36333 _Assembly.ID 1 _Assembly.Name NF8 _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 . . . . . . 36333 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36333 _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 ; GTILIFLDKNKEQAEKLAKE VGVTEIYESDNLEELYREIK ERIERENPNATILTVTDPNE LKKIQDEGKVDRIILLIKGS LEHHHHHH ; _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 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 10296.638 _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 . 36333 1 2 2 THR . 36333 1 3 3 ILE . 36333 1 4 4 LEU . 36333 1 5 5 ILE . 36333 1 6 6 PHE . 36333 1 7 7 LEU . 36333 1 8 8 ASP . 36333 1 9 9 LYS . 36333 1 10 10 ASN . 36333 1 11 11 LYS . 36333 1 12 12 GLU . 36333 1 13 13 GLN . 36333 1 14 14 ALA . 36333 1 15 15 GLU . 36333 1 16 16 LYS . 36333 1 17 17 LEU . 36333 1 18 18 ALA . 36333 1 19 19 LYS . 36333 1 20 20 GLU . 36333 1 21 21 VAL . 36333 1 22 22 GLY . 36333 1 23 23 VAL . 36333 1 24 24 THR . 36333 1 25 25 GLU . 36333 1 26 26 ILE . 36333 1 27 27 TYR . 36333 1 28 28 GLU . 36333 1 29 29 SER . 36333 1 30 30 ASP . 36333 1 31 31 ASN . 36333 1 32 32 LEU . 36333 1 33 33 GLU . 36333 1 34 34 GLU . 36333 1 35 35 LEU . 36333 1 36 36 TYR . 36333 1 37 37 ARG . 36333 1 38 38 GLU . 36333 1 39 39 ILE . 36333 1 40 40 LYS . 36333 1 41 41 GLU . 36333 1 42 42 ARG . 36333 1 43 43 ILE . 36333 1 44 44 GLU . 36333 1 45 45 ARG . 36333 1 46 46 GLU . 36333 1 47 47 ASN . 36333 1 48 48 PRO . 36333 1 49 49 ASN . 36333 1 50 50 ALA . 36333 1 51 51 THR . 36333 1 52 52 ILE . 36333 1 53 53 LEU . 36333 1 54 54 THR . 36333 1 55 55 VAL . 36333 1 56 56 THR . 36333 1 57 57 ASP . 36333 1 58 58 PRO . 36333 1 59 59 ASN . 36333 1 60 60 GLU . 36333 1 61 61 LEU . 36333 1 62 62 LYS . 36333 1 63 63 LYS . 36333 1 64 64 ILE . 36333 1 65 65 GLN . 36333 1 66 66 ASP . 36333 1 67 67 GLU . 36333 1 68 68 GLY . 36333 1 69 69 LYS . 36333 1 70 70 VAL . 36333 1 71 71 ASP . 36333 1 72 72 ARG . 36333 1 73 73 ILE . 36333 1 74 74 ILE . 36333 1 75 75 LEU . 36333 1 76 76 LEU . 36333 1 77 77 ILE . 36333 1 78 78 LYS . 36333 1 79 79 GLY . 36333 1 80 80 SER . 36333 1 81 81 LEU . 36333 1 82 82 GLU . 36333 1 83 83 HIS . 36333 1 84 84 HIS . 36333 1 85 85 HIS . 36333 1 86 86 HIS . 36333 1 87 87 HIS . 36333 1 88 88 HIS . 36333 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 36333 1 . THR 2 2 36333 1 . ILE 3 3 36333 1 . LEU 4 4 36333 1 . ILE 5 5 36333 1 . PHE 6 6 36333 1 . LEU 7 7 36333 1 . ASP 8 8 36333 1 . LYS 9 9 36333 1 . ASN 10 10 36333 1 . LYS 11 11 36333 1 . GLU 12 12 36333 1 . GLN 13 13 36333 1 . ALA 14 14 36333 1 . GLU 15 15 36333 1 . LYS 16 16 36333 1 . LEU 17 17 36333 1 . ALA 18 18 36333 1 . LYS 19 19 36333 1 . GLU 20 20 36333 1 . VAL 21 21 36333 1 . GLY 22 22 36333 1 . VAL 23 23 36333 1 . THR 24 24 36333 1 . GLU 25 25 36333 1 . ILE 26 26 36333 1 . TYR 27 27 36333 1 . GLU 28 28 36333 1 . SER 29 29 36333 1 . ASP 30 30 36333 1 . ASN 31 31 36333 1 . LEU 32 32 36333 1 . GLU 33 33 36333 1 . GLU 34 34 36333 1 . LEU 35 35 36333 1 . TYR 36 36 36333 1 . ARG 37 37 36333 1 . GLU 38 38 36333 1 . ILE 39 39 36333 1 . LYS 40 40 36333 1 . GLU 41 41 36333 1 . ARG 42 42 36333 1 . ILE 43 43 36333 1 . GLU 44 44 36333 1 . ARG 45 45 36333 1 . GLU 46 46 36333 1 . ASN 47 47 36333 1 . PRO 48 48 36333 1 . ASN 49 49 36333 1 . ALA 50 50 36333 1 . THR 51 51 36333 1 . ILE 52 52 36333 1 . LEU 53 53 36333 1 . THR 54 54 36333 1 . VAL 55 55 36333 1 . THR 56 56 36333 1 . ASP 57 57 36333 1 . PRO 58 58 36333 1 . ASN 59 59 36333 1 . GLU 60 60 36333 1 . LEU 61 61 36333 1 . LYS 62 62 36333 1 . LYS 63 63 36333 1 . ILE 64 64 36333 1 . GLN 65 65 36333 1 . ASP 66 66 36333 1 . GLU 67 67 36333 1 . GLY 68 68 36333 1 . LYS 69 69 36333 1 . VAL 70 70 36333 1 . ASP 71 71 36333 1 . ARG 72 72 36333 1 . ILE 73 73 36333 1 . ILE 74 74 36333 1 . LEU 75 75 36333 1 . LEU 76 76 36333 1 . ILE 77 77 36333 1 . LYS 78 78 36333 1 . GLY 79 79 36333 1 . SER 80 80 36333 1 . LEU 81 81 36333 1 . GLU 82 82 36333 1 . HIS 83 83 36333 1 . HIS 84 84 36333 1 . HIS 85 85 36333 1 . HIS 86 86 36333 1 . HIS 87 87 36333 1 . HIS 88 88 36333 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 36333 _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 . . . . . . . . . . . . . 36333 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 36333 _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 . . . . . . . . . . 36333 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36333 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.95 mM [U-100% 13C; U-100% 15N] NF8, 4.3 mM sodium phosphate, 5.7 mM potassium 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 NF8 '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 0.95 . . mM . . . . 36333 1 2 'potassium phosphate' 'natural abundance' . . . . . . 5.7 . . mM . . . . 36333 1 3 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 36333 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 4.3 . . mM . . . . 36333 1 5 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36333 1 6 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36333 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36333 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.2 mM [U-100% 13C; U-100% 15N] NF8, 4.3 mM sodium phosphate, 5.7 mM potassium phosphate, 50 mM sodium chloride, 10 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 NF8 '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 0.2 . . mM . . . . 36333 2 2 'Pf1 phage' 'natural abundance' . . . . . . 10 . . mg/mL . . . . 36333 2 3 'potassium phosphate' 'natural abundance' . . . . . . 5.7 . . mM . . . . 36333 2 4 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 36333 2 5 'sodium phosphate' 'natural abundance' . . . . . buffer 4.3 . . mM . . . . 36333 2 6 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36333 2 7 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36333 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 36333 _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' 56.5 . mM 36333 1 pH 6.8 . pH 36333 1 pressure 1 . atm 36333 1 temperature 303 . K 36333 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36333 _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' . . 36333 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36333 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36333 _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' . . 36333 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36333 2 'structure calculation' . 36333 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36333 _Software.ID 3 _Software.Type . _Software.Name MAGRO _Software.Version 2.01.38 _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)' . . 36333 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36333 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36333 _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' . . 36333 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36333 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36333 _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' . . 36333 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36333 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 36333 _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' . . 36333 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36333 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 36333 _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' . . 36333 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 36333 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 36333 _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_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 36333 _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 . . . 36333 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 36333 _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 . . . . . . . . . . . . . . . . . 36333 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36333 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36333 1 4 '3D BEST-HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36333 1 5 '3D BEST-HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36333 1 6 '3D BEST-HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36333 1 7 '3D HCCH-TOCSY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36333 1 8 '3D HCCH-TOCSY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36333 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36333 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36333 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36333 1 12 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36333 1 13 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36333 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 36333 _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 . . . . . 36333 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36333 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36333 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 36333 _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 36333 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 36333 1 3 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 36333 1 4 '3D BEST-HNCO' 1 $sample_1 isotropic 36333 1 5 '3D BEST-HNCACB' 1 $sample_1 isotropic 36333 1 6 '3D BEST-HN(CO)CACB' 1 $sample_1 isotropic 36333 1 7 '3D HCCH-TOCSY aliphatic' 1 $sample_1 isotropic 36333 1 8 '3D HCCH-TOCSY aromatic' 1 $sample_1 isotropic 36333 1 9 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36333 1 10 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36333 1 11 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 36333 1 12 '2D 1H-15N HSQC IPAP' 1 $sample_1 isotropic 36333 1 13 '2D 1H-15N HSQC IPAP' 2 $sample_2 anisotropic 36333 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 H H 1 9.199 0.030 . 1 . . . . A 1 GLY H1 . 36333 1 2 . 1 . 1 1 1 GLY HA2 H 1 3.951 0.030 . 1 . . . . A 1 GLY HA2 . 36333 1 3 . 1 . 1 1 1 GLY HA3 H 1 3.951 0.030 . 1 . . . . A 1 GLY HA3 . 36333 1 4 . 1 . 1 1 1 GLY C C 13 170.277 0.300 . 1 . . . . A 1 GLY C . 36333 1 5 . 1 . 1 1 1 GLY CA C 13 43.652 0.300 . 1 . . . . A 1 GLY CA . 36333 1 6 . 1 . 1 2 2 THR H H 1 9.196 0.030 . 1 . . . . A 2 THR H . 36333 1 7 . 1 . 1 2 2 THR HA H 1 5.166 0.030 . 1 . . . . A 2 THR HA . 36333 1 8 . 1 . 1 2 2 THR HB H 1 4.096 0.030 . 1 . . . . A 2 THR HB . 36333 1 9 . 1 . 1 2 2 THR HG21 H 1 1.166 0.030 . 1 . . . . A 2 THR HG21 . 36333 1 10 . 1 . 1 2 2 THR HG22 H 1 1.166 0.030 . 1 . . . . A 2 THR HG22 . 36333 1 11 . 1 . 1 2 2 THR HG23 H 1 1.166 0.030 . 1 . . . . A 2 THR HG23 . 36333 1 12 . 1 . 1 2 2 THR C C 13 173.210 0.300 . 1 . . . . A 2 THR C . 36333 1 13 . 1 . 1 2 2 THR CA C 13 62.365 0.300 . 1 . . . . A 2 THR CA . 36333 1 14 . 1 . 1 2 2 THR CB C 13 70.689 0.300 . 1 . . . . A 2 THR CB . 36333 1 15 . 1 . 1 2 2 THR CG2 C 13 22.094 0.300 . 1 . . . . A 2 THR CG2 . 36333 1 16 . 1 . 1 2 2 THR N N 15 119.047 0.300 . 1 . . . . A 2 THR N . 36333 1 17 . 1 . 1 3 3 ILE H H 1 9.204 0.030 . 1 . . . . A 3 ILE H . 36333 1 18 . 1 . 1 3 3 ILE HA H 1 4.689 0.030 . 1 . . . . A 3 ILE HA . 36333 1 19 . 1 . 1 3 3 ILE HB H 1 1.675 0.030 . 1 . . . . A 3 ILE HB . 36333 1 20 . 1 . 1 3 3 ILE HG12 H 1 1.008 0.030 . 2 . . . . A 3 ILE HG12 . 36333 1 21 . 1 . 1 3 3 ILE HG13 H 1 1.645 0.030 . 2 . . . . A 3 ILE HG13 . 36333 1 22 . 1 . 1 3 3 ILE HG21 H 1 0.760 0.030 . 1 . . . . A 3 ILE HG21 . 36333 1 23 . 1 . 1 3 3 ILE HG22 H 1 0.760 0.030 . 1 . . . . A 3 ILE HG22 . 36333 1 24 . 1 . 1 3 3 ILE HG23 H 1 0.760 0.030 . 1 . . . . A 3 ILE HG23 . 36333 1 25 . 1 . 1 3 3 ILE HD11 H 1 0.752 0.030 . 1 . . . . A 3 ILE HD11 . 36333 1 26 . 1 . 1 3 3 ILE HD12 H 1 0.752 0.030 . 1 . . . . A 3 ILE HD12 . 36333 1 27 . 1 . 1 3 3 ILE HD13 H 1 0.752 0.030 . 1 . . . . A 3 ILE HD13 . 36333 1 28 . 1 . 1 3 3 ILE C C 13 173.028 0.300 . 1 . . . . A 3 ILE C . 36333 1 29 . 1 . 1 3 3 ILE CA C 13 60.371 0.300 . 1 . . . . A 3 ILE CA . 36333 1 30 . 1 . 1 3 3 ILE CB C 13 40.790 0.300 . 1 . . . . A 3 ILE CB . 36333 1 31 . 1 . 1 3 3 ILE CG1 C 13 28.133 0.300 . 1 . . . . A 3 ILE CG1 . 36333 1 32 . 1 . 1 3 3 ILE CG2 C 13 17.076 0.300 . 1 . . . . A 3 ILE CG2 . 36333 1 33 . 1 . 1 3 3 ILE CD1 C 13 14.400 0.300 . 1 . . . . A 3 ILE CD1 . 36333 1 34 . 1 . 1 3 3 ILE N N 15 128.516 0.300 . 1 . . . . A 3 ILE N . 36333 1 35 . 1 . 1 4 4 LEU H H 1 8.820 0.030 . 1 . . . . A 4 LEU H . 36333 1 36 . 1 . 1 4 4 LEU HA H 1 5.282 0.030 . 1 . . . . A 4 LEU HA . 36333 1 37 . 1 . 1 4 4 LEU HB2 H 1 1.632 0.030 . 2 . . . . A 4 LEU HB2 . 36333 1 38 . 1 . 1 4 4 LEU HB3 H 1 1.718 0.030 . 2 . . . . A 4 LEU HB3 . 36333 1 39 . 1 . 1 4 4 LEU HG H 1 0.964 0.030 . 1 . . . . A 4 LEU HG . 36333 1 40 . 1 . 1 4 4 LEU HD11 H 1 1.174 0.030 . 2 . . . . A 4 LEU HD11 . 36333 1 41 . 1 . 1 4 4 LEU HD12 H 1 1.174 0.030 . 2 . . . . A 4 LEU HD12 . 36333 1 42 . 1 . 1 4 4 LEU HD13 H 1 1.174 0.030 . 2 . . . . A 4 LEU HD13 . 36333 1 43 . 1 . 1 4 4 LEU HD21 H 1 0.957 0.030 . 2 . . . . A 4 LEU HD21 . 36333 1 44 . 1 . 1 4 4 LEU HD22 H 1 0.957 0.030 . 2 . . . . A 4 LEU HD22 . 36333 1 45 . 1 . 1 4 4 LEU HD23 H 1 0.957 0.030 . 2 . . . . A 4 LEU HD23 . 36333 1 46 . 1 . 1 4 4 LEU C C 13 174.524 0.300 . 1 . . . . A 4 LEU C . 36333 1 47 . 1 . 1 4 4 LEU CA C 13 53.661 0.300 . 1 . . . . A 4 LEU CA . 36333 1 48 . 1 . 1 4 4 LEU CB C 13 45.849 0.300 . 1 . . . . A 4 LEU CB . 36333 1 49 . 1 . 1 4 4 LEU CG C 13 27.685 0.300 . 1 . . . . A 4 LEU CG . 36333 1 50 . 1 . 1 4 4 LEU CD1 C 13 22.066 0.300 . 2 . . . . A 4 LEU CD1 . 36333 1 51 . 1 . 1 4 4 LEU CD2 C 13 25.782 0.300 . 2 . . . . A 4 LEU CD2 . 36333 1 52 . 1 . 1 4 4 LEU N N 15 128.934 0.300 . 1 . . . . A 4 LEU N . 36333 1 53 . 1 . 1 5 5 ILE H H 1 9.323 0.030 . 1 . . . . A 5 ILE H . 36333 1 54 . 1 . 1 5 5 ILE HA H 1 4.880 0.030 . 1 . . . . A 5 ILE HA . 36333 1 55 . 1 . 1 5 5 ILE HB H 1 2.035 0.030 . 1 . . . . A 5 ILE HB . 36333 1 56 . 1 . 1 5 5 ILE HG12 H 1 0.838 0.030 . 2 . . . . A 5 ILE HG12 . 36333 1 57 . 1 . 1 5 5 ILE HG13 H 1 1.692 0.030 . 2 . . . . A 5 ILE HG13 . 36333 1 58 . 1 . 1 5 5 ILE HG21 H 1 0.968 0.030 . 1 . . . . A 5 ILE HG21 . 36333 1 59 . 1 . 1 5 5 ILE HG22 H 1 0.968 0.030 . 1 . . . . A 5 ILE HG22 . 36333 1 60 . 1 . 1 5 5 ILE HG23 H 1 0.968 0.030 . 1 . . . . A 5 ILE HG23 . 36333 1 61 . 1 . 1 5 5 ILE HD11 H 1 0.726 0.030 . 1 . . . . A 5 ILE HD11 . 36333 1 62 . 1 . 1 5 5 ILE HD12 H 1 0.726 0.030 . 1 . . . . A 5 ILE HD12 . 36333 1 63 . 1 . 1 5 5 ILE HD13 H 1 0.726 0.030 . 1 . . . . A 5 ILE HD13 . 36333 1 64 . 1 . 1 5 5 ILE C C 13 173.418 0.300 . 1 . . . . A 5 ILE C . 36333 1 65 . 1 . 1 5 5 ILE CA C 13 60.852 0.300 . 1 . . . . A 5 ILE CA . 36333 1 66 . 1 . 1 5 5 ILE CB C 13 39.418 0.300 . 1 . . . . A 5 ILE CB . 36333 1 67 . 1 . 1 5 5 ILE CG1 C 13 27.871 0.300 . 1 . . . . A 5 ILE CG1 . 36333 1 68 . 1 . 1 5 5 ILE CG2 C 13 18.195 0.300 . 1 . . . . A 5 ILE CG2 . 36333 1 69 . 1 . 1 5 5 ILE CD1 C 13 13.629 0.300 . 1 . . . . A 5 ILE CD1 . 36333 1 70 . 1 . 1 5 5 ILE N N 15 125.387 0.300 . 1 . . . . A 5 ILE N . 36333 1 71 . 1 . 1 6 6 PHE H H 1 9.572 0.030 . 1 . . . . A 6 PHE H . 36333 1 72 . 1 . 1 6 6 PHE HA H 1 5.653 0.030 . 1 . . . . A 6 PHE HA . 36333 1 73 . 1 . 1 6 6 PHE HB2 H 1 2.515 0.030 . 2 . . . . A 6 PHE HB2 . 36333 1 74 . 1 . 1 6 6 PHE HB3 H 1 3.085 0.030 . 2 . . . . A 6 PHE HB3 . 36333 1 75 . 1 . 1 6 6 PHE HD1 H 1 6.866 0.030 . 1 . . . . A 6 PHE HD1 . 36333 1 76 . 1 . 1 6 6 PHE HD2 H 1 6.866 0.030 . 1 . . . . A 6 PHE HD2 . 36333 1 77 . 1 . 1 6 6 PHE HE1 H 1 7.077 0.030 . 1 . . . . A 6 PHE HE1 . 36333 1 78 . 1 . 1 6 6 PHE HE2 H 1 7.077 0.030 . 1 . . . . A 6 PHE HE2 . 36333 1 79 . 1 . 1 6 6 PHE HZ H 1 6.958 0.030 . 1 . . . . A 6 PHE HZ . 36333 1 80 . 1 . 1 6 6 PHE C C 13 174.056 0.300 . 1 . . . . A 6 PHE C . 36333 1 81 . 1 . 1 6 6 PHE CA C 13 55.411 0.300 . 1 . . . . A 6 PHE CA . 36333 1 82 . 1 . 1 6 6 PHE CB C 13 42.012 0.300 . 1 . . . . A 6 PHE CB . 36333 1 83 . 1 . 1 6 6 PHE CD1 C 13 131.845 0.300 . 1 . . . . A 6 PHE CD1 . 36333 1 84 . 1 . 1 6 6 PHE CD2 C 13 131.845 0.300 . 1 . . . . A 6 PHE CD2 . 36333 1 85 . 1 . 1 6 6 PHE CE1 C 13 130.794 0.300 . 1 . . . . A 6 PHE CE1 . 36333 1 86 . 1 . 1 6 6 PHE CE2 C 13 130.794 0.300 . 1 . . . . A 6 PHE CE2 . 36333 1 87 . 1 . 1 6 6 PHE CZ C 13 129.455 0.300 . 1 . . . . A 6 PHE CZ . 36333 1 88 . 1 . 1 6 6 PHE N N 15 130.172 0.300 . 1 . . . . A 6 PHE N . 36333 1 89 . 1 . 1 7 7 LEU H H 1 7.218 0.030 . 1 . . . . A 7 LEU H . 36333 1 90 . 1 . 1 7 7 LEU HA H 1 5.085 0.030 . 1 . . . . A 7 LEU HA . 36333 1 91 . 1 . 1 7 7 LEU HB2 H 1 1.268 0.030 . 2 . . . . A 7 LEU HB2 . 36333 1 92 . 1 . 1 7 7 LEU HB3 H 1 1.394 0.030 . 2 . . . . A 7 LEU HB3 . 36333 1 93 . 1 . 1 7 7 LEU HG H 1 1.406 0.030 . 1 . . . . A 7 LEU HG . 36333 1 94 . 1 . 1 7 7 LEU HD11 H 1 0.496 0.030 . 2 . . . . A 7 LEU HD11 . 36333 1 95 . 1 . 1 7 7 LEU HD12 H 1 0.496 0.030 . 2 . . . . A 7 LEU HD12 . 36333 1 96 . 1 . 1 7 7 LEU HD13 H 1 0.496 0.030 . 2 . . . . A 7 LEU HD13 . 36333 1 97 . 1 . 1 7 7 LEU HD21 H 1 0.616 0.030 . 2 . . . . A 7 LEU HD21 . 36333 1 98 . 1 . 1 7 7 LEU HD22 H 1 0.616 0.030 . 2 . . . . A 7 LEU HD22 . 36333 1 99 . 1 . 1 7 7 LEU HD23 H 1 0.616 0.030 . 2 . . . . A 7 LEU HD23 . 36333 1 100 . 1 . 1 7 7 LEU C C 13 174.513 0.300 . 1 . . . . A 7 LEU C . 36333 1 101 . 1 . 1 7 7 LEU CA C 13 54.131 0.300 . 1 . . . . A 7 LEU CA . 36333 1 102 . 1 . 1 7 7 LEU CB C 13 44.048 0.300 . 1 . . . . A 7 LEU CB . 36333 1 103 . 1 . 1 7 7 LEU CG C 13 28.009 0.300 . 1 . . . . A 7 LEU CG . 36333 1 104 . 1 . 1 7 7 LEU CD1 C 13 25.651 0.300 . 2 . . . . A 7 LEU CD1 . 36333 1 105 . 1 . 1 7 7 LEU CD2 C 13 25.950 0.300 . 2 . . . . A 7 LEU CD2 . 36333 1 106 . 1 . 1 7 7 LEU N N 15 126.755 0.300 . 1 . . . . A 7 LEU N . 36333 1 107 . 1 . 1 8 8 ASP H H 1 8.883 0.030 . 1 . . . . A 8 ASP H . 36333 1 108 . 1 . 1 8 8 ASP HA H 1 4.788 0.030 . 1 . . . . A 8 ASP HA . 36333 1 109 . 1 . 1 8 8 ASP HB2 H 1 2.384 0.030 . 2 . . . . A 8 ASP HB2 . 36333 1 110 . 1 . 1 8 8 ASP HB3 H 1 2.935 0.030 . 2 . . . . A 8 ASP HB3 . 36333 1 111 . 1 . 1 8 8 ASP C C 13 175.627 0.300 . 1 . . . . A 8 ASP C . 36333 1 112 . 1 . 1 8 8 ASP CA C 13 53.274 0.300 . 1 . . . . A 8 ASP CA . 36333 1 113 . 1 . 1 8 8 ASP CB C 13 45.528 0.300 . 1 . . . . A 8 ASP CB . 36333 1 114 . 1 . 1 8 8 ASP N N 15 123.379 0.300 . 1 . . . . A 8 ASP N . 36333 1 115 . 1 . 1 9 9 LYS H H 1 8.470 0.030 . 1 . . . . A 9 LYS H . 36333 1 116 . 1 . 1 9 9 LYS HA H 1 4.359 0.030 . 1 . . . . A 9 LYS HA . 36333 1 117 . 1 . 1 9 9 LYS HB2 H 1 1.832 0.030 . 2 . . . . A 9 LYS HB2 . 36333 1 118 . 1 . 1 9 9 LYS HB3 H 1 2.004 0.030 . 2 . . . . A 9 LYS HB3 . 36333 1 119 . 1 . 1 9 9 LYS HG2 H 1 1.401 0.030 . 2 . . . . A 9 LYS HG2 . 36333 1 120 . 1 . 1 9 9 LYS HG3 H 1 1.488 0.030 . 2 . . . . A 9 LYS HG3 . 36333 1 121 . 1 . 1 9 9 LYS HD2 H 1 1.831 0.030 . 1 . . . . A 9 LYS HD2 . 36333 1 122 . 1 . 1 9 9 LYS HD3 H 1 1.831 0.030 . 1 . . . . A 9 LYS HD3 . 36333 1 123 . 1 . 1 9 9 LYS HE2 H 1 2.920 0.030 . 2 . . . . A 9 LYS HE2 . 36333 1 124 . 1 . 1 9 9 LYS HE3 H 1 3.210 0.030 . 2 . . . . A 9 LYS HE3 . 36333 1 125 . 1 . 1 9 9 LYS C C 13 175.649 0.300 . 1 . . . . A 9 LYS C . 36333 1 126 . 1 . 1 9 9 LYS CA C 13 57.277 0.300 . 1 . . . . A 9 LYS CA . 36333 1 127 . 1 . 1 9 9 LYS CB C 13 32.867 0.300 . 1 . . . . A 9 LYS CB . 36333 1 128 . 1 . 1 9 9 LYS CG C 13 25.613 0.300 . 1 . . . . A 9 LYS CG . 36333 1 129 . 1 . 1 9 9 LYS CE C 13 44.543 0.300 . 1 . . . . A 9 LYS CE . 36333 1 130 . 1 . 1 9 9 LYS N N 15 122.359 0.300 . 1 . . . . A 9 LYS N . 36333 1 131 . 1 . 1 10 10 ASN H H 1 9.169 0.030 . 1 . . . . A 10 ASN H . 36333 1 132 . 1 . 1 10 10 ASN HA H 1 5.000 0.030 . 1 . . . . A 10 ASN HA . 36333 1 133 . 1 . 1 10 10 ASN HB2 H 1 2.748 0.030 . 2 . . . . A 10 ASN HB2 . 36333 1 134 . 1 . 1 10 10 ASN HB3 H 1 3.202 0.030 . 2 . . . . A 10 ASN HB3 . 36333 1 135 . 1 . 1 10 10 ASN HD21 H 1 7.064 0.030 . 2 . . . . A 10 ASN HD21 . 36333 1 136 . 1 . 1 10 10 ASN HD22 H 1 7.818 0.030 . 2 . . . . A 10 ASN HD22 . 36333 1 137 . 1 . 1 10 10 ASN C C 13 174.030 0.300 . 1 . . . . A 10 ASN C . 36333 1 138 . 1 . 1 10 10 ASN CA C 13 52.283 0.300 . 1 . . . . A 10 ASN CA . 36333 1 139 . 1 . 1 10 10 ASN CB C 13 39.858 0.300 . 1 . . . . A 10 ASN CB . 36333 1 140 . 1 . 1 10 10 ASN N N 15 120.630 0.300 . 1 . . . . A 10 ASN N . 36333 1 141 . 1 . 1 10 10 ASN ND2 N 15 113.229 0.300 . 1 . . . . A 10 ASN ND2 . 36333 1 142 . 1 . 1 11 11 LYS H H 1 8.523 0.030 . 1 . . . . A 11 LYS H . 36333 1 143 . 1 . 1 11 11 LYS HA H 1 3.902 0.030 . 1 . . . . A 11 LYS HA . 36333 1 144 . 1 . 1 11 11 LYS HB2 H 1 1.949 0.030 . 1 . . . . A 11 LYS HB2 . 36333 1 145 . 1 . 1 11 11 LYS HB3 H 1 1.949 0.030 . 1 . . . . A 11 LYS HB3 . 36333 1 146 . 1 . 1 11 11 LYS HG2 H 1 1.369 0.030 . 2 . . . . A 11 LYS HG2 . 36333 1 147 . 1 . 1 11 11 LYS HG3 H 1 1.394 0.030 . 2 . . . . A 11 LYS HG3 . 36333 1 148 . 1 . 1 11 11 LYS HE2 H 1 2.896 0.030 . 1 . . . . A 11 LYS HE2 . 36333 1 149 . 1 . 1 11 11 LYS HE3 H 1 2.896 0.030 . 1 . . . . A 11 LYS HE3 . 36333 1 150 . 1 . 1 11 11 LYS C C 13 176.700 0.300 . 1 . . . . A 11 LYS C . 36333 1 151 . 1 . 1 11 11 LYS CA C 13 59.906 0.300 . 1 . . . . A 11 LYS CA . 36333 1 152 . 1 . 1 11 11 LYS CB C 13 32.575 0.300 . 1 . . . . A 11 LYS CB . 36333 1 153 . 1 . 1 11 11 LYS CG C 13 25.225 0.300 . 1 . . . . A 11 LYS CG . 36333 1 154 . 1 . 1 11 11 LYS CD C 13 29.663 0.300 . 1 . . . . A 11 LYS CD . 36333 1 155 . 1 . 1 11 11 LYS CE C 13 42.191 0.300 . 1 . . . . A 11 LYS CE . 36333 1 156 . 1 . 1 11 11 LYS N N 15 124.741 0.300 . 1 . . . . A 11 LYS N . 36333 1 157 . 1 . 1 12 12 GLU H H 1 8.527 0.030 . 1 . . . . A 12 GLU H . 36333 1 158 . 1 . 1 12 12 GLU HA H 1 4.181 0.030 . 1 . . . . A 12 GLU HA . 36333 1 159 . 1 . 1 12 12 GLU HB2 H 1 2.114 0.030 . 1 . . . . A 12 GLU HB2 . 36333 1 160 . 1 . 1 12 12 GLU HB3 H 1 2.114 0.030 . 1 . . . . A 12 GLU HB3 . 36333 1 161 . 1 . 1 12 12 GLU HG2 H 1 2.341 0.030 . 1 . . . . A 12 GLU HG2 . 36333 1 162 . 1 . 1 12 12 GLU HG3 H 1 2.341 0.030 . 1 . . . . A 12 GLU HG3 . 36333 1 163 . 1 . 1 12 12 GLU C C 13 179.519 0.300 . 1 . . . . A 12 GLU C . 36333 1 164 . 1 . 1 12 12 GLU CA C 13 59.467 0.300 . 1 . . . . A 12 GLU CA . 36333 1 165 . 1 . 1 12 12 GLU CB C 13 29.559 0.300 . 1 . . . . A 12 GLU CB . 36333 1 166 . 1 . 1 12 12 GLU N N 15 118.351 0.300 . 1 . . . . A 12 GLU N . 36333 1 167 . 1 . 1 13 13 GLN H H 1 8.217 0.030 . 1 . . . . A 13 GLN H . 36333 1 168 . 1 . 1 13 13 GLN HA H 1 4.182 0.030 . 1 . . . . A 13 GLN HA . 36333 1 169 . 1 . 1 13 13 GLN HB2 H 1 2.105 0.030 . 2 . . . . A 13 GLN HB2 . 36333 1 170 . 1 . 1 13 13 GLN HB3 H 1 2.320 0.030 . 2 . . . . A 13 GLN HB3 . 36333 1 171 . 1 . 1 13 13 GLN HG2 H 1 2.454 0.030 . 1 . . . . A 13 GLN HG2 . 36333 1 172 . 1 . 1 13 13 GLN HG3 H 1 2.454 0.030 . 1 . . . . A 13 GLN HG3 . 36333 1 173 . 1 . 1 13 13 GLN HE21 H 1 6.918 0.030 . 2 . . . . A 13 GLN HE21 . 36333 1 174 . 1 . 1 13 13 GLN HE22 H 1 8.344 0.030 . 2 . . . . A 13 GLN HE22 . 36333 1 175 . 1 . 1 13 13 GLN C C 13 178.358 0.300 . 1 . . . . A 13 GLN C . 36333 1 176 . 1 . 1 13 13 GLN CA C 13 57.934 0.300 . 1 . . . . A 13 GLN CA . 36333 1 177 . 1 . 1 13 13 GLN CB C 13 29.294 0.300 . 1 . . . . A 13 GLN CB . 36333 1 178 . 1 . 1 13 13 GLN CG C 13 34.318 0.300 . 1 . . . . A 13 GLN CG . 36333 1 179 . 1 . 1 13 13 GLN N N 15 118.996 0.300 . 1 . . . . A 13 GLN N . 36333 1 180 . 1 . 1 13 13 GLN NE2 N 15 113.538 0.300 . 1 . . . . A 13 GLN NE2 . 36333 1 181 . 1 . 1 14 14 ALA H H 1 8.544 0.030 . 1 . . . . A 14 ALA H . 36333 1 182 . 1 . 1 14 14 ALA HA H 1 4.031 0.030 . 1 . . . . A 14 ALA HA . 36333 1 183 . 1 . 1 14 14 ALA HB1 H 1 1.531 0.030 . 1 . . . . A 14 ALA HB1 . 36333 1 184 . 1 . 1 14 14 ALA HB2 H 1 1.531 0.030 . 1 . . . . A 14 ALA HB2 . 36333 1 185 . 1 . 1 14 14 ALA HB3 H 1 1.531 0.030 . 1 . . . . A 14 ALA HB3 . 36333 1 186 . 1 . 1 14 14 ALA C C 13 179.187 0.300 . 1 . . . . A 14 ALA C . 36333 1 187 . 1 . 1 14 14 ALA CA C 13 55.519 0.300 . 1 . . . . A 14 ALA CA . 36333 1 188 . 1 . 1 14 14 ALA CB C 13 19.783 0.300 . 1 . . . . A 14 ALA CB . 36333 1 189 . 1 . 1 14 14 ALA N N 15 124.569 0.300 . 1 . . . . A 14 ALA N . 36333 1 190 . 1 . 1 15 15 GLU H H 1 8.444 0.030 . 1 . . . . A 15 GLU H . 36333 1 191 . 1 . 1 15 15 GLU HA H 1 3.909 0.030 . 1 . . . . A 15 GLU HA . 36333 1 192 . 1 . 1 15 15 GLU HB2 H 1 2.131 0.030 . 1 . . . . A 15 GLU HB2 . 36333 1 193 . 1 . 1 15 15 GLU HB3 H 1 2.131 0.030 . 1 . . . . A 15 GLU HB3 . 36333 1 194 . 1 . 1 15 15 GLU HG2 H 1 2.141 0.030 . 2 . . . . A 15 GLU HG2 . 36333 1 195 . 1 . 1 15 15 GLU HG3 H 1 2.515 0.030 . 2 . . . . A 15 GLU HG3 . 36333 1 196 . 1 . 1 15 15 GLU C C 13 179.269 0.300 . 1 . . . . A 15 GLU C . 36333 1 197 . 1 . 1 15 15 GLU CA C 13 59.670 0.300 . 1 . . . . A 15 GLU CA . 36333 1 198 . 1 . 1 15 15 GLU CB C 13 29.616 0.300 . 1 . . . . A 15 GLU CB . 36333 1 199 . 1 . 1 15 15 GLU CG C 13 37.201 0.300 . 1 . . . . A 15 GLU CG . 36333 1 200 . 1 . 1 15 15 GLU N N 15 116.313 0.300 . 1 . . . . A 15 GLU N . 36333 1 201 . 1 . 1 16 16 LYS H H 1 7.403 0.030 . 1 . . . . A 16 LYS H . 36333 1 202 . 1 . 1 16 16 LYS HE2 H 1 3.015 0.030 . 1 . . . . A 16 LYS HE2 . 36333 1 203 . 1 . 1 16 16 LYS HE3 H 1 3.015 0.030 . 1 . . . . A 16 LYS HE3 . 36333 1 204 . 1 . 1 16 16 LYS C C 13 178.897 0.300 . 1 . . . . A 16 LYS C . 36333 1 205 . 1 . 1 16 16 LYS CG C 13 25.109 0.300 . 1 . . . . A 16 LYS CG . 36333 1 206 . 1 . 1 16 16 LYS CE C 13 42.197 0.300 . 1 . . . . A 16 LYS CE . 36333 1 207 . 1 . 1 16 16 LYS N N 15 119.787 0.300 . 1 . . . . A 16 LYS N . 36333 1 208 . 1 . 1 17 17 LEU H H 1 8.098 0.030 . 1 . . . . A 17 LEU H . 36333 1 209 . 1 . 1 17 17 LEU HA H 1 4.088 0.030 . 1 . . . . A 17 LEU HA . 36333 1 210 . 1 . 1 17 17 LEU HB2 H 1 1.636 0.030 . 1 . . . . A 17 LEU HB2 . 36333 1 211 . 1 . 1 17 17 LEU HB3 H 1 1.636 0.030 . 1 . . . . A 17 LEU HB3 . 36333 1 212 . 1 . 1 17 17 LEU HG H 1 1.405 0.030 . 1 . . . . A 17 LEU HG . 36333 1 213 . 1 . 1 17 17 LEU HD11 H 1 0.653 0.030 . 2 . . . . A 17 LEU HD11 . 36333 1 214 . 1 . 1 17 17 LEU HD12 H 1 0.653 0.030 . 2 . . . . A 17 LEU HD12 . 36333 1 215 . 1 . 1 17 17 LEU HD13 H 1 0.653 0.030 . 2 . . . . A 17 LEU HD13 . 36333 1 216 . 1 . 1 17 17 LEU HD21 H 1 0.469 0.030 . 2 . . . . A 17 LEU HD21 . 36333 1 217 . 1 . 1 17 17 LEU HD22 H 1 0.469 0.030 . 2 . . . . A 17 LEU HD22 . 36333 1 218 . 1 . 1 17 17 LEU HD23 H 1 0.469 0.030 . 2 . . . . A 17 LEU HD23 . 36333 1 219 . 1 . 1 17 17 LEU C C 13 178.688 0.300 . 1 . . . . A 17 LEU C . 36333 1 220 . 1 . 1 17 17 LEU CA C 13 57.733 0.300 . 1 . . . . A 17 LEU CA . 36333 1 221 . 1 . 1 17 17 LEU CB C 13 42.020 0.300 . 1 . . . . A 17 LEU CB . 36333 1 222 . 1 . 1 17 17 LEU CG C 13 26.811 0.300 . 1 . . . . A 17 LEU CG . 36333 1 223 . 1 . 1 17 17 LEU CD1 C 13 24.628 0.300 . 2 . . . . A 17 LEU CD1 . 36333 1 224 . 1 . 1 17 17 LEU CD2 C 13 24.976 0.300 . 2 . . . . A 17 LEU CD2 . 36333 1 225 . 1 . 1 17 17 LEU N N 15 121.535 0.300 . 1 . . . . A 17 LEU N . 36333 1 226 . 1 . 1 18 18 ALA H H 1 8.549 0.030 . 1 . . . . A 18 ALA H . 36333 1 227 . 1 . 1 18 18 ALA HA H 1 3.824 0.030 . 1 . . . . A 18 ALA HA . 36333 1 228 . 1 . 1 18 18 ALA HB1 H 1 1.461 0.030 . 1 . . . . A 18 ALA HB1 . 36333 1 229 . 1 . 1 18 18 ALA HB2 H 1 1.461 0.030 . 1 . . . . A 18 ALA HB2 . 36333 1 230 . 1 . 1 18 18 ALA HB3 H 1 1.461 0.030 . 1 . . . . A 18 ALA HB3 . 36333 1 231 . 1 . 1 18 18 ALA C C 13 179.882 0.300 . 1 . . . . A 18 ALA C . 36333 1 232 . 1 . 1 18 18 ALA CA C 13 55.300 0.300 . 1 . . . . A 18 ALA CA . 36333 1 233 . 1 . 1 18 18 ALA CB C 13 18.069 0.300 . 1 . . . . A 18 ALA CB . 36333 1 234 . 1 . 1 18 18 ALA N N 15 119.613 0.300 . 1 . . . . A 18 ALA N . 36333 1 235 . 1 . 1 19 19 LYS H H 1 7.392 0.030 . 1 . . . . A 19 LYS H . 36333 1 236 . 1 . 1 19 19 LYS C C 13 178.542 0.300 . 1 . . . . A 19 LYS C . 36333 1 237 . 1 . 1 19 19 LYS CG C 13 25.155 0.300 . 1 . . . . A 19 LYS CG . 36333 1 238 . 1 . 1 19 19 LYS CE C 13 42.167 0.300 . 1 . . . . A 19 LYS CE . 36333 1 239 . 1 . 1 19 19 LYS N N 15 115.643 0.300 . 1 . . . . A 19 LYS N . 36333 1 240 . 1 . 1 20 20 GLU H H 1 8.006 0.030 . 1 . . . . A 20 GLU H . 36333 1 241 . 1 . 1 20 20 GLU HA H 1 4.140 0.030 . 1 . . . . A 20 GLU HA . 36333 1 242 . 1 . 1 20 20 GLU HB2 H 1 2.090 0.030 . 2 . . . . A 20 GLU HB2 . 36333 1 243 . 1 . 1 20 20 GLU HB3 H 1 2.199 0.030 . 2 . . . . A 20 GLU HB3 . 36333 1 244 . 1 . 1 20 20 GLU HG2 H 1 2.207 0.030 . 2 . . . . A 20 GLU HG2 . 36333 1 245 . 1 . 1 20 20 GLU HG3 H 1 2.449 0.030 . 2 . . . . A 20 GLU HG3 . 36333 1 246 . 1 . 1 20 20 GLU C C 13 178.361 0.300 . 1 . . . . A 20 GLU C . 36333 1 247 . 1 . 1 20 20 GLU CA C 13 58.876 0.300 . 1 . . . . A 20 GLU CA . 36333 1 248 . 1 . 1 20 20 GLU CB C 13 30.337 0.300 . 1 . . . . A 20 GLU CB . 36333 1 249 . 1 . 1 20 20 GLU CG C 13 36.418 0.300 . 1 . . . . A 20 GLU CG . 36333 1 250 . 1 . 1 20 20 GLU N N 15 119.516 0.300 . 1 . . . . A 20 GLU N . 36333 1 251 . 1 . 1 21 21 VAL H H 1 8.216 0.030 . 1 . . . . A 21 VAL H . 36333 1 252 . 1 . 1 21 21 VAL HA H 1 4.232 0.030 . 1 . . . . A 21 VAL HA . 36333 1 253 . 1 . 1 21 21 VAL HB H 1 2.199 0.030 . 1 . . . . A 21 VAL HB . 36333 1 254 . 1 . 1 21 21 VAL HG11 H 1 0.877 0.030 . 2 . . . . A 21 VAL HG11 . 36333 1 255 . 1 . 1 21 21 VAL HG12 H 1 0.877 0.030 . 2 . . . . A 21 VAL HG12 . 36333 1 256 . 1 . 1 21 21 VAL HG13 H 1 0.877 0.030 . 2 . . . . A 21 VAL HG13 . 36333 1 257 . 1 . 1 21 21 VAL HG21 H 1 0.852 0.030 . 2 . . . . A 21 VAL HG21 . 36333 1 258 . 1 . 1 21 21 VAL HG22 H 1 0.852 0.030 . 2 . . . . A 21 VAL HG22 . 36333 1 259 . 1 . 1 21 21 VAL HG23 H 1 0.852 0.030 . 2 . . . . A 21 VAL HG23 . 36333 1 260 . 1 . 1 21 21 VAL C C 13 176.109 0.300 . 1 . . . . A 21 VAL C . 36333 1 261 . 1 . 1 21 21 VAL CA C 13 62.171 0.300 . 1 . . . . A 21 VAL CA . 36333 1 262 . 1 . 1 21 21 VAL CB C 13 32.422 0.300 . 1 . . . . A 21 VAL CB . 36333 1 263 . 1 . 1 21 21 VAL CG1 C 13 21.325 0.300 . 2 . . . . A 21 VAL CG1 . 36333 1 264 . 1 . 1 21 21 VAL CG2 C 13 21.604 0.300 . 2 . . . . A 21 VAL CG2 . 36333 1 265 . 1 . 1 21 21 VAL N N 15 113.903 0.300 . 1 . . . . A 21 VAL N . 36333 1 266 . 1 . 1 22 22 GLY H H 1 7.748 0.030 . 1 . . . . A 22 GLY H . 36333 1 267 . 1 . 1 22 22 GLY HA2 H 1 3.865 0.030 . 2 . . . . A 22 GLY HA2 . 36333 1 268 . 1 . 1 22 22 GLY HA3 H 1 4.073 0.030 . 2 . . . . A 22 GLY HA3 . 36333 1 269 . 1 . 1 22 22 GLY C C 13 174.656 0.300 . 1 . . . . A 22 GLY C . 36333 1 270 . 1 . 1 22 22 GLY CA C 13 46.444 0.300 . 1 . . . . A 22 GLY CA . 36333 1 271 . 1 . 1 22 22 GLY N N 15 110.105 0.300 . 1 . . . . A 22 GLY N . 36333 1 272 . 1 . 1 23 23 VAL H H 1 8.008 0.030 . 1 . . . . A 23 VAL H . 36333 1 273 . 1 . 1 23 23 VAL HA H 1 4.095 0.030 . 1 . . . . A 23 VAL HA . 36333 1 274 . 1 . 1 23 23 VAL HB H 1 1.871 0.030 . 1 . . . . A 23 VAL HB . 36333 1 275 . 1 . 1 23 23 VAL HG21 H 1 0.939 0.030 . 2 . . . . A 23 VAL HG21 . 36333 1 276 . 1 . 1 23 23 VAL HG22 H 1 0.939 0.030 . 2 . . . . A 23 VAL HG22 . 36333 1 277 . 1 . 1 23 23 VAL HG23 H 1 0.939 0.030 . 2 . . . . A 23 VAL HG23 . 36333 1 278 . 1 . 1 23 23 VAL C C 13 175.683 0.300 . 1 . . . . A 23 VAL C . 36333 1 279 . 1 . 1 23 23 VAL CA C 13 62.653 0.300 . 1 . . . . A 23 VAL CA . 36333 1 280 . 1 . 1 23 23 VAL CB C 13 33.022 0.300 . 1 . . . . A 23 VAL CB . 36333 1 281 . 1 . 1 23 23 VAL CG1 C 13 21.749 0.300 . 2 . . . . A 23 VAL CG1 . 36333 1 282 . 1 . 1 23 23 VAL CG2 C 13 22.310 0.300 . 2 . . . . A 23 VAL CG2 . 36333 1 283 . 1 . 1 23 23 VAL N N 15 120.585 0.300 . 1 . . . . A 23 VAL N . 36333 1 284 . 1 . 1 24 24 THR H H 1 8.669 0.030 . 1 . . . . A 24 THR H . 36333 1 285 . 1 . 1 24 24 THR HA H 1 4.517 0.030 . 1 . . . . A 24 THR HA . 36333 1 286 . 1 . 1 24 24 THR HB H 1 4.311 0.030 . 1 . . . . A 24 THR HB . 36333 1 287 . 1 . 1 24 24 THR HG21 H 1 1.192 0.030 . 1 . . . . A 24 THR HG21 . 36333 1 288 . 1 . 1 24 24 THR HG22 H 1 1.192 0.030 . 1 . . . . A 24 THR HG22 . 36333 1 289 . 1 . 1 24 24 THR HG23 H 1 1.192 0.030 . 1 . . . . A 24 THR HG23 . 36333 1 290 . 1 . 1 24 24 THR C C 13 174.601 0.300 . 1 . . . . A 24 THR C . 36333 1 291 . 1 . 1 24 24 THR CA C 13 61.872 0.300 . 1 . . . . A 24 THR CA . 36333 1 292 . 1 . 1 24 24 THR CB C 13 70.108 0.300 . 1 . . . . A 24 THR CB . 36333 1 293 . 1 . 1 24 24 THR CG2 C 13 21.886 0.300 . 1 . . . . A 24 THR CG2 . 36333 1 294 . 1 . 1 24 24 THR N N 15 116.185 0.300 . 1 . . . . A 24 THR N . 36333 1 295 . 1 . 1 25 25 GLU H H 1 7.943 0.030 . 1 . . . . A 25 GLU H . 36333 1 296 . 1 . 1 25 25 GLU HA H 1 4.376 0.030 . 1 . . . . A 25 GLU HA . 36333 1 297 . 1 . 1 25 25 GLU HB2 H 1 2.025 0.030 . 2 . . . . A 25 GLU HB2 . 36333 1 298 . 1 . 1 25 25 GLU HB3 H 1 2.302 0.030 . 2 . . . . A 25 GLU HB3 . 36333 1 299 . 1 . 1 25 25 GLU HG2 H 1 2.262 0.030 . 1 . . . . A 25 GLU HG2 . 36333 1 300 . 1 . 1 25 25 GLU HG3 H 1 2.262 0.030 . 1 . . . . A 25 GLU HG3 . 36333 1 301 . 1 . 1 25 25 GLU C C 13 172.337 0.300 . 1 . . . . A 25 GLU C . 36333 1 302 . 1 . 1 25 25 GLU CA C 13 56.507 0.300 . 1 . . . . A 25 GLU CA . 36333 1 303 . 1 . 1 25 25 GLU CB C 13 30.556 0.300 . 1 . . . . A 25 GLU CB . 36333 1 304 . 1 . 1 25 25 GLU CG C 13 36.589 0.300 . 1 . . . . A 25 GLU CG . 36333 1 305 . 1 . 1 25 25 GLU N N 15 126.165 0.300 . 1 . . . . A 25 GLU N . 36333 1 306 . 1 . 1 26 26 ILE H H 1 7.386 0.030 . 1 . . . . A 26 ILE H . 36333 1 307 . 1 . 1 26 26 ILE HA H 1 5.087 0.030 . 1 . . . . A 26 ILE HA . 36333 1 308 . 1 . 1 26 26 ILE HB H 1 1.437 0.030 . 1 . . . . A 26 ILE HB . 36333 1 309 . 1 . 1 26 26 ILE HG12 H 1 0.837 0.030 . 2 . . . . A 26 ILE HG12 . 36333 1 310 . 1 . 1 26 26 ILE HG13 H 1 1.329 0.030 . 2 . . . . A 26 ILE HG13 . 36333 1 311 . 1 . 1 26 26 ILE HG21 H 1 0.781 0.030 . 1 . . . . A 26 ILE HG21 . 36333 1 312 . 1 . 1 26 26 ILE HG22 H 1 0.781 0.030 . 1 . . . . A 26 ILE HG22 . 36333 1 313 . 1 . 1 26 26 ILE HG23 H 1 0.781 0.030 . 1 . . . . A 26 ILE HG23 . 36333 1 314 . 1 . 1 26 26 ILE HD11 H 1 0.763 0.030 . 1 . . . . A 26 ILE HD11 . 36333 1 315 . 1 . 1 26 26 ILE HD12 H 1 0.763 0.030 . 1 . . . . A 26 ILE HD12 . 36333 1 316 . 1 . 1 26 26 ILE HD13 H 1 0.763 0.030 . 1 . . . . A 26 ILE HD13 . 36333 1 317 . 1 . 1 26 26 ILE C C 13 175.071 0.300 . 1 . . . . A 26 ILE C . 36333 1 318 . 1 . 1 26 26 ILE CA C 13 60.060 0.300 . 1 . . . . A 26 ILE CA . 36333 1 319 . 1 . 1 26 26 ILE CB C 13 41.897 0.300 . 1 . . . . A 26 ILE CB . 36333 1 320 . 1 . 1 26 26 ILE CG1 C 13 28.037 0.300 . 1 . . . . A 26 ILE CG1 . 36333 1 321 . 1 . 1 26 26 ILE CG2 C 13 17.674 0.300 . 1 . . . . A 26 ILE CG2 . 36333 1 322 . 1 . 1 26 26 ILE CD1 C 13 13.766 0.300 . 1 . . . . A 26 ILE CD1 . 36333 1 323 . 1 . 1 26 26 ILE N N 15 124.445 0.300 . 1 . . . . A 26 ILE N . 36333 1 324 . 1 . 1 27 27 TYR H H 1 9.048 0.030 . 1 . . . . A 27 TYR H . 36333 1 325 . 1 . 1 27 27 TYR HA H 1 4.904 0.030 . 1 . . . . A 27 TYR HA . 36333 1 326 . 1 . 1 27 27 TYR HB2 H 1 2.706 0.030 . 2 . . . . A 27 TYR HB2 . 36333 1 327 . 1 . 1 27 27 TYR HB3 H 1 3.190 0.030 . 2 . . . . A 27 TYR HB3 . 36333 1 328 . 1 . 1 27 27 TYR HD1 H 1 7.032 0.030 . 1 . . . . A 27 TYR HD1 . 36333 1 329 . 1 . 1 27 27 TYR HD2 H 1 7.032 0.030 . 1 . . . . A 27 TYR HD2 . 36333 1 330 . 1 . 1 27 27 TYR HE1 H 1 6.765 0.030 . 1 . . . . A 27 TYR HE1 . 36333 1 331 . 1 . 1 27 27 TYR HE2 H 1 6.765 0.030 . 1 . . . . A 27 TYR HE2 . 36333 1 332 . 1 . 1 27 27 TYR C C 13 173.111 0.300 . 1 . . . . A 27 TYR C . 36333 1 333 . 1 . 1 27 27 TYR CA C 13 56.511 0.300 . 1 . . . . A 27 TYR CA . 36333 1 334 . 1 . 1 27 27 TYR CB C 13 42.125 0.300 . 1 . . . . A 27 TYR CB . 36333 1 335 . 1 . 1 27 27 TYR CD1 C 13 133.205 0.300 . 1 . . . . A 27 TYR CD1 . 36333 1 336 . 1 . 1 27 27 TYR CD2 C 13 133.205 0.300 . 1 . . . . A 27 TYR CD2 . 36333 1 337 . 1 . 1 27 27 TYR CE1 C 13 117.696 0.300 . 1 . . . . A 27 TYR CE1 . 36333 1 338 . 1 . 1 27 27 TYR CE2 C 13 117.696 0.300 . 1 . . . . A 27 TYR CE2 . 36333 1 339 . 1 . 1 27 27 TYR N N 15 125.492 0.300 . 1 . . . . A 27 TYR N . 36333 1 340 . 1 . 1 28 28 GLU H H 1 8.594 0.030 . 1 . . . . A 28 GLU H . 36333 1 341 . 1 . 1 28 28 GLU HA H 1 5.660 0.030 . 1 . . . . A 28 GLU HA . 36333 1 342 . 1 . 1 28 28 GLU HB2 H 1 1.870 0.030 . 1 . . . . A 28 GLU HB2 . 36333 1 343 . 1 . 1 28 28 GLU HB3 H 1 1.870 0.030 . 1 . . . . A 28 GLU HB3 . 36333 1 344 . 1 . 1 28 28 GLU HG2 H 1 2.087 0.030 . 1 . . . . A 28 GLU HG2 . 36333 1 345 . 1 . 1 28 28 GLU HG3 H 1 2.087 0.030 . 1 . . . . A 28 GLU HG3 . 36333 1 346 . 1 . 1 28 28 GLU C C 13 176.015 0.300 . 1 . . . . A 28 GLU C . 36333 1 347 . 1 . 1 28 28 GLU CA C 13 54.100 0.300 . 1 . . . . A 28 GLU CA . 36333 1 348 . 1 . 1 28 28 GLU CB C 13 33.996 0.300 . 1 . . . . A 28 GLU CB . 36333 1 349 . 1 . 1 28 28 GLU CG C 13 33.923 0.300 . 1 . . . . A 28 GLU CG . 36333 1 350 . 1 . 1 28 28 GLU N N 15 121.323 0.300 . 1 . . . . A 28 GLU N . 36333 1 351 . 1 . 1 29 29 SER H H 1 8.260 0.030 . 1 . . . . A 29 SER H . 36333 1 352 . 1 . 1 29 29 SER HA H 1 4.698 0.030 . 1 . . . . A 29 SER HA . 36333 1 353 . 1 . 1 29 29 SER HB2 H 1 3.282 0.030 . 2 . . . . A 29 SER HB2 . 36333 1 354 . 1 . 1 29 29 SER HB3 H 1 4.151 0.030 . 2 . . . . A 29 SER HB3 . 36333 1 355 . 1 . 1 29 29 SER C C 13 173.852 0.300 . 1 . . . . A 29 SER C . 36333 1 356 . 1 . 1 29 29 SER CA C 13 57.058 0.300 . 1 . . . . A 29 SER CA . 36333 1 357 . 1 . 1 29 29 SER CB C 13 65.582 0.300 . 1 . . . . A 29 SER CB . 36333 1 358 . 1 . 1 29 29 SER N N 15 114.910 0.300 . 1 . . . . A 29 SER N . 36333 1 359 . 1 . 1 30 30 ASP H H 1 8.625 0.030 . 1 . . . . A 30 ASP H . 36333 1 360 . 1 . 1 30 30 ASP HA H 1 4.743 0.030 . 1 . . . . A 30 ASP HA . 36333 1 361 . 1 . 1 30 30 ASP HB2 H 1 2.710 0.030 . 2 . . . . A 30 ASP HB2 . 36333 1 362 . 1 . 1 30 30 ASP HB3 H 1 2.773 0.030 . 2 . . . . A 30 ASP HB3 . 36333 1 363 . 1 . 1 30 30 ASP C C 13 176.069 0.300 . 1 . . . . A 30 ASP C . 36333 1 364 . 1 . 1 30 30 ASP CA C 13 55.633 0.300 . 1 . . . . A 30 ASP CA . 36333 1 365 . 1 . 1 30 30 ASP CB C 13 40.840 0.300 . 1 . . . . A 30 ASP CB . 36333 1 366 . 1 . 1 30 30 ASP N N 15 122.706 0.300 . 1 . . . . A 30 ASP N . 36333 1 367 . 1 . 1 31 31 ASN H H 1 8.374 0.030 . 1 . . . . A 31 ASN H . 36333 1 368 . 1 . 1 31 31 ASN HA H 1 4.951 0.030 . 1 . . . . A 31 ASN HA . 36333 1 369 . 1 . 1 31 31 ASN HB2 H 1 2.599 0.030 . 2 . . . . A 31 ASN HB2 . 36333 1 370 . 1 . 1 31 31 ASN HB3 H 1 3.142 0.030 . 2 . . . . A 31 ASN HB3 . 36333 1 371 . 1 . 1 31 31 ASN HD21 H 1 6.990 0.030 . 2 . . . . A 31 ASN HD21 . 36333 1 372 . 1 . 1 31 31 ASN HD22 H 1 7.692 0.030 . 2 . . . . A 31 ASN HD22 . 36333 1 373 . 1 . 1 31 31 ASN C C 13 174.969 0.300 . 1 . . . . A 31 ASN C . 36333 1 374 . 1 . 1 31 31 ASN CA C 13 51.574 0.300 . 1 . . . . A 31 ASN CA . 36333 1 375 . 1 . 1 31 31 ASN CB C 13 38.348 0.300 . 1 . . . . A 31 ASN CB . 36333 1 376 . 1 . 1 31 31 ASN N N 15 118.763 0.300 . 1 . . . . A 31 ASN N . 36333 1 377 . 1 . 1 31 31 ASN ND2 N 15 112.668 0.300 . 1 . . . . A 31 ASN ND2 . 36333 1 378 . 1 . 1 32 32 LEU H H 1 8.604 0.030 . 1 . . . . A 32 LEU H . 36333 1 379 . 1 . 1 32 32 LEU HA H 1 3.989 0.030 . 1 . . . . A 32 LEU HA . 36333 1 380 . 1 . 1 32 32 LEU HB2 H 1 1.428 0.030 . 2 . . . . A 32 LEU HB2 . 36333 1 381 . 1 . 1 32 32 LEU HB3 H 1 1.745 0.030 . 2 . . . . A 32 LEU HB3 . 36333 1 382 . 1 . 1 32 32 LEU HG H 1 1.603 0.030 . 1 . . . . A 32 LEU HG . 36333 1 383 . 1 . 1 32 32 LEU HD11 H 1 0.833 0.030 . 2 . . . . A 32 LEU HD11 . 36333 1 384 . 1 . 1 32 32 LEU HD12 H 1 0.833 0.030 . 2 . . . . A 32 LEU HD12 . 36333 1 385 . 1 . 1 32 32 LEU HD13 H 1 0.833 0.030 . 2 . . . . A 32 LEU HD13 . 36333 1 386 . 1 . 1 32 32 LEU HD21 H 1 0.796 0.030 . 2 . . . . A 32 LEU HD21 . 36333 1 387 . 1 . 1 32 32 LEU HD22 H 1 0.796 0.030 . 2 . . . . A 32 LEU HD22 . 36333 1 388 . 1 . 1 32 32 LEU HD23 H 1 0.796 0.030 . 2 . . . . A 32 LEU HD23 . 36333 1 389 . 1 . 1 32 32 LEU C C 13 177.778 0.300 . 1 . . . . A 32 LEU C . 36333 1 390 . 1 . 1 32 32 LEU CA C 13 57.663 0.300 . 1 . . . . A 32 LEU CA . 36333 1 391 . 1 . 1 32 32 LEU CB C 13 42.962 0.300 . 1 . . . . A 32 LEU CB . 36333 1 392 . 1 . 1 32 32 LEU CG C 13 27.024 0.300 . 1 . . . . A 32 LEU CG . 36333 1 393 . 1 . 1 32 32 LEU CD1 C 13 24.210 0.300 . 2 . . . . A 32 LEU CD1 . 36333 1 394 . 1 . 1 32 32 LEU CD2 C 13 25.353 0.300 . 2 . . . . A 32 LEU CD2 . 36333 1 395 . 1 . 1 32 32 LEU N N 15 125.265 0.300 . 1 . . . . A 32 LEU N . 36333 1 396 . 1 . 1 33 33 GLU H H 1 8.450 0.030 . 1 . . . . A 33 GLU H . 36333 1 397 . 1 . 1 33 33 GLU HA H 1 4.036 0.030 . 1 . . . . A 33 GLU HA . 36333 1 398 . 1 . 1 33 33 GLU HB2 H 1 2.085 0.030 . 2 . . . . A 33 GLU HB2 . 36333 1 399 . 1 . 1 33 33 GLU HB3 H 1 2.261 0.030 . 2 . . . . A 33 GLU HB3 . 36333 1 400 . 1 . 1 33 33 GLU HG2 H 1 2.294 0.030 . 2 . . . . A 33 GLU HG2 . 36333 1 401 . 1 . 1 33 33 GLU HG3 H 1 2.452 0.030 . 2 . . . . A 33 GLU HG3 . 36333 1 402 . 1 . 1 33 33 GLU C C 13 179.600 0.300 . 1 . . . . A 33 GLU C . 36333 1 403 . 1 . 1 33 33 GLU CA C 13 60.747 0.300 . 1 . . . . A 33 GLU CA . 36333 1 404 . 1 . 1 33 33 GLU CB C 13 28.959 0.300 . 1 . . . . A 33 GLU CB . 36333 1 405 . 1 . 1 33 33 GLU CG C 13 37.228 0.300 . 1 . . . . A 33 GLU CG . 36333 1 406 . 1 . 1 33 33 GLU N N 15 118.438 0.300 . 1 . . . . A 33 GLU N . 36333 1 407 . 1 . 1 34 34 GLU H H 1 7.675 0.030 . 1 . . . . A 34 GLU H . 36333 1 408 . 1 . 1 34 34 GLU HA H 1 4.147 0.030 . 1 . . . . A 34 GLU HA . 36333 1 409 . 1 . 1 34 34 GLU HB2 H 1 1.907 0.030 . 2 . . . . A 34 GLU HB2 . 36333 1 410 . 1 . 1 34 34 GLU HB3 H 1 1.994 0.030 . 2 . . . . A 34 GLU HB3 . 36333 1 411 . 1 . 1 34 34 GLU HG2 H 1 2.320 0.030 . 1 . . . . A 34 GLU HG2 . 36333 1 412 . 1 . 1 34 34 GLU HG3 H 1 2.320 0.030 . 1 . . . . A 34 GLU HG3 . 36333 1 413 . 1 . 1 34 34 GLU C C 13 178.347 0.300 . 1 . . . . A 34 GLU C . 36333 1 414 . 1 . 1 34 34 GLU CA C 13 58.666 0.300 . 1 . . . . A 34 GLU CA . 36333 1 415 . 1 . 1 34 34 GLU CB C 13 29.832 0.300 . 1 . . . . A 34 GLU CB . 36333 1 416 . 1 . 1 34 34 GLU CG C 13 36.336 0.300 . 1 . . . . A 34 GLU CG . 36333 1 417 . 1 . 1 34 34 GLU N N 15 120.130 0.300 . 1 . . . . A 34 GLU N . 36333 1 418 . 1 . 1 35 35 LEU H H 1 7.828 0.030 . 1 . . . . A 35 LEU H . 36333 1 419 . 1 . 1 35 35 LEU HA H 1 4.247 0.030 . 1 . . . . A 35 LEU HA . 36333 1 420 . 1 . 1 35 35 LEU HB2 H 1 1.691 0.030 . 2 . . . . A 35 LEU HB2 . 36333 1 421 . 1 . 1 35 35 LEU HB3 H 1 1.946 0.030 . 2 . . . . A 35 LEU HB3 . 36333 1 422 . 1 . 1 35 35 LEU HD21 H 1 0.871 0.030 . 2 . . . . A 35 LEU HD21 . 36333 1 423 . 1 . 1 35 35 LEU HD22 H 1 0.871 0.030 . 2 . . . . A 35 LEU HD22 . 36333 1 424 . 1 . 1 35 35 LEU HD23 H 1 0.871 0.030 . 2 . . . . A 35 LEU HD23 . 36333 1 425 . 1 . 1 35 35 LEU C C 13 177.572 0.300 . 1 . . . . A 35 LEU C . 36333 1 426 . 1 . 1 35 35 LEU CA C 13 57.816 0.300 . 1 . . . . A 35 LEU CA . 36333 1 427 . 1 . 1 35 35 LEU CB C 13 41.970 0.300 . 1 . . . . A 35 LEU CB . 36333 1 428 . 1 . 1 35 35 LEU CD2 C 13 26.622 0.300 . 2 . . . . A 35 LEU CD2 . 36333 1 429 . 1 . 1 35 35 LEU N N 15 121.762 0.300 . 1 . . . . A 35 LEU N . 36333 1 430 . 1 . 1 36 36 TYR H H 1 8.643 0.030 . 1 . . . . A 36 TYR H . 36333 1 431 . 1 . 1 36 36 TYR HA H 1 3.899 0.030 . 1 . . . . A 36 TYR HA . 36333 1 432 . 1 . 1 36 36 TYR HB2 H 1 2.953 0.030 . 2 . . . . A 36 TYR HB2 . 36333 1 433 . 1 . 1 36 36 TYR HB3 H 1 3.062 0.030 . 2 . . . . A 36 TYR HB3 . 36333 1 434 . 1 . 1 36 36 TYR HD1 H 1 7.026 0.030 . 1 . . . . A 36 TYR HD1 . 36333 1 435 . 1 . 1 36 36 TYR HD2 H 1 7.026 0.030 . 1 . . . . A 36 TYR HD2 . 36333 1 436 . 1 . 1 36 36 TYR HE1 H 1 6.734 0.030 . 1 . . . . A 36 TYR HE1 . 36333 1 437 . 1 . 1 36 36 TYR HE2 H 1 6.734 0.030 . 1 . . . . A 36 TYR HE2 . 36333 1 438 . 1 . 1 36 36 TYR C C 13 175.813 0.300 . 1 . . . . A 36 TYR C . 36333 1 439 . 1 . 1 36 36 TYR CA C 13 61.228 0.300 . 1 . . . . A 36 TYR CA . 36333 1 440 . 1 . 1 36 36 TYR CB C 13 37.987 0.300 . 1 . . . . A 36 TYR CB . 36333 1 441 . 1 . 1 36 36 TYR CD1 C 13 133.066 0.300 . 1 . . . . A 36 TYR CD1 . 36333 1 442 . 1 . 1 36 36 TYR CD2 C 13 133.066 0.300 . 1 . . . . A 36 TYR CD2 . 36333 1 443 . 1 . 1 36 36 TYR CE1 C 13 118.007 0.300 . 1 . . . . A 36 TYR CE1 . 36333 1 444 . 1 . 1 36 36 TYR CE2 C 13 118.007 0.300 . 1 . . . . A 36 TYR CE2 . 36333 1 445 . 1 . 1 36 36 TYR N N 15 117.248 0.300 . 1 . . . . A 36 TYR N . 36333 1 446 . 1 . 1 37 37 ARG H H 1 7.626 0.030 . 1 . . . . A 37 ARG H . 36333 1 447 . 1 . 1 37 37 ARG HA H 1 3.610 0.030 . 1 . . . . A 37 ARG HA . 36333 1 448 . 1 . 1 37 37 ARG HB2 H 1 1.939 0.030 . 1 . . . . A 37 ARG HB2 . 36333 1 449 . 1 . 1 37 37 ARG HB3 H 1 1.939 0.030 . 1 . . . . A 37 ARG HB3 . 36333 1 450 . 1 . 1 37 37 ARG HG2 H 1 1.572 0.030 . 2 . . . . A 37 ARG HG2 . 36333 1 451 . 1 . 1 37 37 ARG HG3 H 1 1.801 0.030 . 2 . . . . A 37 ARG HG3 . 36333 1 452 . 1 . 1 37 37 ARG HD2 H 1 3.227 0.030 . 2 . . . . A 37 ARG HD2 . 36333 1 453 . 1 . 1 37 37 ARG HD3 H 1 3.257 0.030 . 2 . . . . A 37 ARG HD3 . 36333 1 454 . 1 . 1 37 37 ARG C C 13 178.695 0.300 . 1 . . . . A 37 ARG C . 36333 1 455 . 1 . 1 37 37 ARG CA C 13 59.876 0.300 . 1 . . . . A 37 ARG CA . 36333 1 456 . 1 . 1 37 37 ARG CB C 13 29.883 0.300 . 1 . . . . A 37 ARG CB . 36333 1 457 . 1 . 1 37 37 ARG CG C 13 27.205 0.300 . 1 . . . . A 37 ARG CG . 36333 1 458 . 1 . 1 37 37 ARG CD C 13 43.316 0.300 . 1 . . . . A 37 ARG CD . 36333 1 459 . 1 . 1 37 37 ARG N N 15 117.334 0.300 . 1 . . . . A 37 ARG N . 36333 1 460 . 1 . 1 38 38 GLU H H 1 7.991 0.030 . 1 . . . . A 38 GLU H . 36333 1 461 . 1 . 1 38 38 GLU HA H 1 3.926 0.030 . 1 . . . . A 38 GLU HA . 36333 1 462 . 1 . 1 38 38 GLU HB2 H 1 2.121 0.030 . 2 . . . . A 38 GLU HB2 . 36333 1 463 . 1 . 1 38 38 GLU HB3 H 1 2.141 0.030 . 2 . . . . A 38 GLU HB3 . 36333 1 464 . 1 . 1 38 38 GLU HG2 H 1 2.116 0.030 . 2 . . . . A 38 GLU HG2 . 36333 1 465 . 1 . 1 38 38 GLU HG3 H 1 2.349 0.030 . 2 . . . . A 38 GLU HG3 . 36333 1 466 . 1 . 1 38 38 GLU C C 13 179.530 0.300 . 1 . . . . A 38 GLU C . 36333 1 467 . 1 . 1 38 38 GLU CA C 13 59.558 0.300 . 1 . . . . A 38 GLU CA . 36333 1 468 . 1 . 1 38 38 GLU CB C 13 29.771 0.300 . 1 . . . . A 38 GLU CB . 36333 1 469 . 1 . 1 38 38 GLU CG C 13 36.048 0.300 . 1 . . . . A 38 GLU CG . 36333 1 470 . 1 . 1 38 38 GLU N N 15 118.385 0.300 . 1 . . . . A 38 GLU N . 36333 1 471 . 1 . 1 39 39 ILE H H 1 8.644 0.030 . 1 . . . . A 39 ILE H . 36333 1 472 . 1 . 1 39 39 ILE HA H 1 3.655 0.030 . 1 . . . . A 39 ILE HA . 36333 1 473 . 1 . 1 39 39 ILE HB H 1 1.912 0.030 . 1 . . . . A 39 ILE HB . 36333 1 474 . 1 . 1 39 39 ILE HG12 H 1 1.004 0.030 . 2 . . . . A 39 ILE HG12 . 36333 1 475 . 1 . 1 39 39 ILE HG13 H 1 1.461 0.030 . 2 . . . . A 39 ILE HG13 . 36333 1 476 . 1 . 1 39 39 ILE HG21 H 1 0.716 0.030 . 1 . . . . A 39 ILE HG21 . 36333 1 477 . 1 . 1 39 39 ILE HG22 H 1 0.716 0.030 . 1 . . . . A 39 ILE HG22 . 36333 1 478 . 1 . 1 39 39 ILE HG23 H 1 0.716 0.030 . 1 . . . . A 39 ILE HG23 . 36333 1 479 . 1 . 1 39 39 ILE HD11 H 1 0.091 0.030 . 1 . . . . A 39 ILE HD11 . 36333 1 480 . 1 . 1 39 39 ILE HD12 H 1 0.091 0.030 . 1 . . . . A 39 ILE HD12 . 36333 1 481 . 1 . 1 39 39 ILE HD13 H 1 0.091 0.030 . 1 . . . . A 39 ILE HD13 . 36333 1 482 . 1 . 1 39 39 ILE C C 13 177.345 0.300 . 1 . . . . A 39 ILE C . 36333 1 483 . 1 . 1 39 39 ILE CA C 13 62.236 0.300 . 1 . . . . A 39 ILE CA . 36333 1 484 . 1 . 1 39 39 ILE CB C 13 35.772 0.300 . 1 . . . . A 39 ILE CB . 36333 1 485 . 1 . 1 39 39 ILE CG1 C 13 28.031 0.300 . 1 . . . . A 39 ILE CG1 . 36333 1 486 . 1 . 1 39 39 ILE CG2 C 13 17.215 0.300 . 1 . . . . A 39 ILE CG2 . 36333 1 487 . 1 . 1 39 39 ILE CD1 C 13 9.143 0.300 . 1 . . . . A 39 ILE CD1 . 36333 1 488 . 1 . 1 39 39 ILE N N 15 120.331 0.300 . 1 . . . . A 39 ILE N . 36333 1 489 . 1 . 1 40 40 LYS H H 1 8.726 0.030 . 1 . . . . A 40 LYS H . 36333 1 490 . 1 . 1 40 40 LYS HA H 1 3.508 0.030 . 1 . . . . A 40 LYS HA . 36333 1 491 . 1 . 1 40 40 LYS HB2 H 1 1.082 0.030 . 2 . . . . A 40 LYS HB2 . 36333 1 492 . 1 . 1 40 40 LYS HB3 H 1 1.459 0.030 . 2 . . . . A 40 LYS HB3 . 36333 1 493 . 1 . 1 40 40 LYS HG2 H 1 1.024 0.030 . 2 . . . . A 40 LYS HG2 . 36333 1 494 . 1 . 1 40 40 LYS HG3 H 1 1.226 0.030 . 2 . . . . A 40 LYS HG3 . 36333 1 495 . 1 . 1 40 40 LYS HD2 H 1 1.340 0.030 . 2 . . . . A 40 LYS HD2 . 36333 1 496 . 1 . 1 40 40 LYS HD3 H 1 1.451 0.030 . 2 . . . . A 40 LYS HD3 . 36333 1 497 . 1 . 1 40 40 LYS HE2 H 1 2.770 0.030 . 2 . . . . A 40 LYS HE2 . 36333 1 498 . 1 . 1 40 40 LYS HE3 H 1 2.905 0.030 . 2 . . . . A 40 LYS HE3 . 36333 1 499 . 1 . 1 40 40 LYS C C 13 177.763 0.300 . 1 . . . . A 40 LYS C . 36333 1 500 . 1 . 1 40 40 LYS CA C 13 60.929 0.300 . 1 . . . . A 40 LYS CA . 36333 1 501 . 1 . 1 40 40 LYS CB C 13 32.049 0.300 . 1 . . . . A 40 LYS CB . 36333 1 502 . 1 . 1 40 40 LYS CG C 13 25.176 0.300 . 1 . . . . A 40 LYS CG . 36333 1 503 . 1 . 1 40 40 LYS CD C 13 29.808 0.300 . 1 . . . . A 40 LYS CD . 36333 1 504 . 1 . 1 40 40 LYS CE C 13 42.123 0.300 . 1 . . . . A 40 LYS CE . 36333 1 505 . 1 . 1 40 40 LYS N N 15 120.954 0.300 . 1 . . . . A 40 LYS N . 36333 1 506 . 1 . 1 41 41 GLU H H 1 7.645 0.030 . 1 . . . . A 41 GLU H . 36333 1 507 . 1 . 1 41 41 GLU HA H 1 4.010 0.030 . 1 . . . . A 41 GLU HA . 36333 1 508 . 1 . 1 41 41 GLU HB2 H 1 2.009 0.030 . 2 . . . . A 41 GLU HB2 . 36333 1 509 . 1 . 1 41 41 GLU HB3 H 1 2.096 0.030 . 2 . . . . A 41 GLU HB3 . 36333 1 510 . 1 . 1 41 41 GLU HG2 H 1 2.212 0.030 . 2 . . . . A 41 GLU HG2 . 36333 1 511 . 1 . 1 41 41 GLU HG3 H 1 2.466 0.030 . 2 . . . . A 41 GLU HG3 . 36333 1 512 . 1 . 1 41 41 GLU C C 13 178.994 0.300 . 1 . . . . A 41 GLU C . 36333 1 513 . 1 . 1 41 41 GLU CA C 13 59.587 0.300 . 1 . . . . A 41 GLU CA . 36333 1 514 . 1 . 1 41 41 GLU CB C 13 29.423 0.300 . 1 . . . . A 41 GLU CB . 36333 1 515 . 1 . 1 41 41 GLU CG C 13 36.754 0.300 . 1 . . . . A 41 GLU CG . 36333 1 516 . 1 . 1 41 41 GLU N N 15 115.857 0.300 . 1 . . . . A 41 GLU N . 36333 1 517 . 1 . 1 42 42 ARG H H 1 7.630 0.030 . 1 . . . . A 42 ARG H . 36333 1 518 . 1 . 1 42 42 ARG HA H 1 3.944 0.030 . 1 . . . . A 42 ARG HA . 36333 1 519 . 1 . 1 42 42 ARG HB2 H 1 1.924 0.030 . 1 . . . . A 42 ARG HB2 . 36333 1 520 . 1 . 1 42 42 ARG HB3 H 1 1.924 0.030 . 1 . . . . A 42 ARG HB3 . 36333 1 521 . 1 . 1 42 42 ARG HG2 H 1 1.507 0.030 . 2 . . . . A 42 ARG HG2 . 36333 1 522 . 1 . 1 42 42 ARG HG3 H 1 1.673 0.030 . 2 . . . . A 42 ARG HG3 . 36333 1 523 . 1 . 1 42 42 ARG HD2 H 1 3.147 0.030 . 1 . . . . A 42 ARG HD2 . 36333 1 524 . 1 . 1 42 42 ARG HD3 H 1 3.147 0.030 . 1 . . . . A 42 ARG HD3 . 36333 1 525 . 1 . 1 42 42 ARG C C 13 178.408 0.300 . 1 . . . . A 42 ARG C . 36333 1 526 . 1 . 1 42 42 ARG CA C 13 59.727 0.300 . 1 . . . . A 42 ARG CA . 36333 1 527 . 1 . 1 42 42 ARG CB C 13 30.118 0.300 . 1 . . . . A 42 ARG CB . 36333 1 528 . 1 . 1 42 42 ARG CG C 13 27.004 0.300 . 1 . . . . A 42 ARG CG . 36333 1 529 . 1 . 1 42 42 ARG CD C 13 44.198 0.300 . 1 . . . . A 42 ARG CD . 36333 1 530 . 1 . 1 42 42 ARG N N 15 119.480 0.300 . 1 . . . . A 42 ARG N . 36333 1 531 . 1 . 1 43 43 ILE H H 1 8.639 0.030 . 1 . . . . A 43 ILE H . 36333 1 532 . 1 . 1 43 43 ILE HA H 1 3.703 0.030 . 1 . . . . A 43 ILE HA . 36333 1 533 . 1 . 1 43 43 ILE HB H 1 2.014 0.030 . 1 . . . . A 43 ILE HB . 36333 1 534 . 1 . 1 43 43 ILE HG12 H 1 1.351 0.030 . 2 . . . . A 43 ILE HG12 . 36333 1 535 . 1 . 1 43 43 ILE HG13 H 1 1.553 0.030 . 2 . . . . A 43 ILE HG13 . 36333 1 536 . 1 . 1 43 43 ILE HG21 H 1 0.872 0.030 . 1 . . . . A 43 ILE HG21 . 36333 1 537 . 1 . 1 43 43 ILE HG22 H 1 0.872 0.030 . 1 . . . . A 43 ILE HG22 . 36333 1 538 . 1 . 1 43 43 ILE HG23 H 1 0.872 0.030 . 1 . . . . A 43 ILE HG23 . 36333 1 539 . 1 . 1 43 43 ILE HD11 H 1 0.711 0.030 . 1 . . . . A 43 ILE HD11 . 36333 1 540 . 1 . 1 43 43 ILE HD12 H 1 0.711 0.030 . 1 . . . . A 43 ILE HD12 . 36333 1 541 . 1 . 1 43 43 ILE HD13 H 1 0.711 0.030 . 1 . . . . A 43 ILE HD13 . 36333 1 542 . 1 . 1 43 43 ILE C C 13 179.090 0.300 . 1 . . . . A 43 ILE C . 36333 1 543 . 1 . 1 43 43 ILE CA C 13 63.533 0.300 . 1 . . . . A 43 ILE CA . 36333 1 544 . 1 . 1 43 43 ILE CB C 13 36.378 0.300 . 1 . . . . A 43 ILE CB . 36333 1 545 . 1 . 1 43 43 ILE CG1 C 13 28.236 0.300 . 1 . . . . A 43 ILE CG1 . 36333 1 546 . 1 . 1 43 43 ILE CG2 C 13 18.724 0.300 . 1 . . . . A 43 ILE CG2 . 36333 1 547 . 1 . 1 43 43 ILE CD1 C 13 11.684 0.300 . 1 . . . . A 43 ILE CD1 . 36333 1 548 . 1 . 1 43 43 ILE N N 15 118.928 0.300 . 1 . . . . A 43 ILE N . 36333 1 549 . 1 . 1 44 44 GLU H H 1 8.434 0.030 . 1 . . . . A 44 GLU H . 36333 1 550 . 1 . 1 44 44 GLU HA H 1 3.910 0.030 . 1 . . . . A 44 GLU HA . 36333 1 551 . 1 . 1 44 44 GLU HB2 H 1 2.130 0.030 . 1 . . . . A 44 GLU HB2 . 36333 1 552 . 1 . 1 44 44 GLU HB3 H 1 2.130 0.030 . 1 . . . . A 44 GLU HB3 . 36333 1 553 . 1 . 1 44 44 GLU HG2 H 1 2.488 0.030 . 1 . . . . A 44 GLU HG2 . 36333 1 554 . 1 . 1 44 44 GLU HG3 H 1 2.488 0.030 . 1 . . . . A 44 GLU HG3 . 36333 1 555 . 1 . 1 44 44 GLU C C 13 178.747 0.300 . 1 . . . . A 44 GLU C . 36333 1 556 . 1 . 1 44 44 GLU CA C 13 59.535 0.300 . 1 . . . . A 44 GLU CA . 36333 1 557 . 1 . 1 44 44 GLU CB C 13 29.652 0.300 . 1 . . . . A 44 GLU CB . 36333 1 558 . 1 . 1 44 44 GLU CG C 13 37.245 0.300 . 1 . . . . A 44 GLU CG . 36333 1 559 . 1 . 1 44 44 GLU N N 15 120.045 0.300 . 1 . . . . A 44 GLU N . 36333 1 560 . 1 . 1 45 45 ARG H H 1 7.684 0.030 . 1 . . . . A 45 ARG H . 36333 1 561 . 1 . 1 45 45 ARG HA H 1 4.099 0.030 . 1 . . . . A 45 ARG HA . 36333 1 562 . 1 . 1 45 45 ARG HB2 H 1 1.965 0.030 . 2 . . . . A 45 ARG HB2 . 36333 1 563 . 1 . 1 45 45 ARG HB3 H 1 1.996 0.030 . 2 . . . . A 45 ARG HB3 . 36333 1 564 . 1 . 1 45 45 ARG HG2 H 1 1.685 0.030 . 2 . . . . A 45 ARG HG2 . 36333 1 565 . 1 . 1 45 45 ARG HG3 H 1 1.799 0.030 . 2 . . . . A 45 ARG HG3 . 36333 1 566 . 1 . 1 45 45 ARG HD2 H 1 3.267 0.030 . 1 . . . . A 45 ARG HD2 . 36333 1 567 . 1 . 1 45 45 ARG HD3 H 1 3.267 0.030 . 1 . . . . A 45 ARG HD3 . 36333 1 568 . 1 . 1 45 45 ARG HE H 1 7.683 0.030 . 1 . . . . A 45 ARG HE . 36333 1 569 . 1 . 1 45 45 ARG C C 13 178.752 0.300 . 1 . . . . A 45 ARG C . 36333 1 570 . 1 . 1 45 45 ARG CA C 13 58.895 0.300 . 1 . . . . A 45 ARG CA . 36333 1 571 . 1 . 1 45 45 ARG CB C 13 30.231 0.300 . 1 . . . . A 45 ARG CB . 36333 1 572 . 1 . 1 45 45 ARG CG C 13 27.507 0.300 . 1 . . . . A 45 ARG CG . 36333 1 573 . 1 . 1 45 45 ARG CD C 13 43.510 0.300 . 1 . . . . A 45 ARG CD . 36333 1 574 . 1 . 1 45 45 ARG N N 15 117.798 0.300 . 1 . . . . A 45 ARG N . 36333 1 575 . 1 . 1 46 46 GLU H H 1 8.048 0.030 . 1 . . . . A 46 GLU H . 36333 1 576 . 1 . 1 46 46 GLU HA H 1 4.147 0.030 . 1 . . . . A 46 GLU HA . 36333 1 577 . 1 . 1 46 46 GLU HB2 H 1 2.009 0.030 . 2 . . . . A 46 GLU HB2 . 36333 1 578 . 1 . 1 46 46 GLU HB3 H 1 2.086 0.030 . 2 . . . . A 46 GLU HB3 . 36333 1 579 . 1 . 1 46 46 GLU HG2 H 1 2.285 0.030 . 2 . . . . A 46 GLU HG2 . 36333 1 580 . 1 . 1 46 46 GLU HG3 H 1 2.575 0.030 . 2 . . . . A 46 GLU HG3 . 36333 1 581 . 1 . 1 46 46 GLU C C 13 176.794 0.300 . 1 . . . . A 46 GLU C . 36333 1 582 . 1 . 1 46 46 GLU CA C 13 57.617 0.300 . 1 . . . . A 46 GLU CA . 36333 1 583 . 1 . 1 46 46 GLU CB C 13 31.379 0.300 . 1 . . . . A 46 GLU CB . 36333 1 584 . 1 . 1 46 46 GLU CG C 13 36.901 0.300 . 1 . . . . A 46 GLU CG . 36333 1 585 . 1 . 1 46 46 GLU N N 15 116.292 0.300 . 1 . . . . A 46 GLU N . 36333 1 586 . 1 . 1 47 47 ASN H H 1 7.953 0.030 . 1 . . . . A 47 ASN H . 36333 1 587 . 1 . 1 47 47 ASN HA H 1 5.212 0.030 . 1 . . . . A 47 ASN HA . 36333 1 588 . 1 . 1 47 47 ASN HB2 H 1 2.491 0.030 . 2 . . . . A 47 ASN HB2 . 36333 1 589 . 1 . 1 47 47 ASN HB3 H 1 2.783 0.030 . 2 . . . . A 47 ASN HB3 . 36333 1 590 . 1 . 1 47 47 ASN HD21 H 1 7.571 0.030 . 2 . . . . A 47 ASN HD21 . 36333 1 591 . 1 . 1 47 47 ASN HD22 H 1 7.860 0.030 . 2 . . . . A 47 ASN HD22 . 36333 1 592 . 1 . 1 47 47 ASN CA C 13 50.923 0.300 . 1 . . . . A 47 ASN CA . 36333 1 593 . 1 . 1 47 47 ASN CB C 13 40.088 0.300 . 1 . . . . A 47 ASN CB . 36333 1 594 . 1 . 1 47 47 ASN N N 15 115.844 0.300 . 1 . . . . A 47 ASN N . 36333 1 595 . 1 . 1 47 47 ASN ND2 N 15 116.410 0.300 . 1 . . . . A 47 ASN ND2 . 36333 1 596 . 1 . 1 48 48 PRO HA H 1 4.570 0.030 . 1 . . . . A 48 PRO HA . 36333 1 597 . 1 . 1 48 48 PRO HB2 H 1 1.972 0.030 . 2 . . . . A 48 PRO HB2 . 36333 1 598 . 1 . 1 48 48 PRO HB3 H 1 2.426 0.030 . 2 . . . . A 48 PRO HB3 . 36333 1 599 . 1 . 1 48 48 PRO HG2 H 1 1.972 0.030 . 2 . . . . A 48 PRO HG2 . 36333 1 600 . 1 . 1 48 48 PRO HG3 H 1 2.067 0.030 . 2 . . . . A 48 PRO HG3 . 36333 1 601 . 1 . 1 48 48 PRO HD2 H 1 3.441 0.030 . 2 . . . . A 48 PRO HD2 . 36333 1 602 . 1 . 1 48 48 PRO HD3 H 1 3.666 0.030 . 2 . . . . A 48 PRO HD3 . 36333 1 603 . 1 . 1 48 48 PRO C C 13 177.428 0.300 . 1 . . . . A 48 PRO C . 36333 1 604 . 1 . 1 48 48 PRO CA C 13 64.691 0.300 . 1 . . . . A 48 PRO CA . 36333 1 605 . 1 . 1 48 48 PRO CB C 13 32.066 0.300 . 1 . . . . A 48 PRO CB . 36333 1 606 . 1 . 1 48 48 PRO CG C 13 27.303 0.300 . 1 . . . . A 48 PRO CG . 36333 1 607 . 1 . 1 48 48 PRO CD C 13 50.242 0.300 . 1 . . . . A 48 PRO CD . 36333 1 608 . 1 . 1 49 49 ASN H H 1 8.543 0.030 . 1 . . . . A 49 ASN H . 36333 1 609 . 1 . 1 49 49 ASN HA H 1 4.862 0.030 . 1 . . . . A 49 ASN HA . 36333 1 610 . 1 . 1 49 49 ASN HB2 H 1 2.805 0.030 . 2 . . . . A 49 ASN HB2 . 36333 1 611 . 1 . 1 49 49 ASN HB3 H 1 3.018 0.030 . 2 . . . . A 49 ASN HB3 . 36333 1 612 . 1 . 1 49 49 ASN C C 13 175.077 0.300 . 1 . . . . A 49 ASN C . 36333 1 613 . 1 . 1 49 49 ASN CA C 13 53.075 0.300 . 1 . . . . A 49 ASN CA . 36333 1 614 . 1 . 1 49 49 ASN CB C 13 38.761 0.300 . 1 . . . . A 49 ASN CB . 36333 1 615 . 1 . 1 49 49 ASN N N 15 114.626 0.300 . 1 . . . . A 49 ASN N . 36333 1 616 . 1 . 1 50 50 ALA H H 1 7.576 0.030 . 1 . . . . A 50 ALA H . 36333 1 617 . 1 . 1 50 50 ALA HA H 1 4.558 0.030 . 1 . . . . A 50 ALA HA . 36333 1 618 . 1 . 1 50 50 ALA HB1 H 1 1.347 0.030 . 1 . . . . A 50 ALA HB1 . 36333 1 619 . 1 . 1 50 50 ALA HB2 H 1 1.347 0.030 . 1 . . . . A 50 ALA HB2 . 36333 1 620 . 1 . 1 50 50 ALA HB3 H 1 1.347 0.030 . 1 . . . . A 50 ALA HB3 . 36333 1 621 . 1 . 1 50 50 ALA C C 13 177.814 0.300 . 1 . . . . A 50 ALA C . 36333 1 622 . 1 . 1 50 50 ALA CA C 13 52.330 0.300 . 1 . . . . A 50 ALA CA . 36333 1 623 . 1 . 1 50 50 ALA CB C 13 20.055 0.300 . 1 . . . . A 50 ALA CB . 36333 1 624 . 1 . 1 50 50 ALA N N 15 123.083 0.300 . 1 . . . . A 50 ALA N . 36333 1 625 . 1 . 1 51 51 THR H H 1 8.533 0.030 . 1 . . . . A 51 THR H . 36333 1 626 . 1 . 1 51 51 THR HA H 1 4.397 0.030 . 1 . . . . A 51 THR HA . 36333 1 627 . 1 . 1 51 51 THR HB H 1 4.187 0.030 . 1 . . . . A 51 THR HB . 36333 1 628 . 1 . 1 51 51 THR HG21 H 1 1.236 0.030 . 1 . . . . A 51 THR HG21 . 36333 1 629 . 1 . 1 51 51 THR HG22 H 1 1.236 0.030 . 1 . . . . A 51 THR HG22 . 36333 1 630 . 1 . 1 51 51 THR HG23 H 1 1.236 0.030 . 1 . . . . A 51 THR HG23 . 36333 1 631 . 1 . 1 51 51 THR C C 13 172.954 0.300 . 1 . . . . A 51 THR C . 36333 1 632 . 1 . 1 51 51 THR CA C 13 62.964 0.300 . 1 . . . . A 51 THR CA . 36333 1 633 . 1 . 1 51 51 THR CB C 13 69.877 0.300 . 1 . . . . A 51 THR CB . 36333 1 634 . 1 . 1 51 51 THR CG2 C 13 21.535 0.300 . 1 . . . . A 51 THR CG2 . 36333 1 635 . 1 . 1 51 51 THR N N 15 119.606 0.300 . 1 . . . . A 51 THR N . 36333 1 636 . 1 . 1 52 52 ILE H H 1 8.809 0.030 . 1 . . . . A 52 ILE H . 36333 1 637 . 1 . 1 52 52 ILE HA H 1 5.077 0.030 . 1 . . . . A 52 ILE HA . 36333 1 638 . 1 . 1 52 52 ILE HB H 1 1.839 0.030 . 1 . . . . A 52 ILE HB . 36333 1 639 . 1 . 1 52 52 ILE HG12 H 1 1.572 0.030 . 1 . . . . A 52 ILE HG12 . 36333 1 640 . 1 . 1 52 52 ILE HG13 H 1 1.572 0.030 . 1 . . . . A 52 ILE HG13 . 36333 1 641 . 1 . 1 52 52 ILE HG21 H 1 0.726 0.030 . 1 . . . . A 52 ILE HG21 . 36333 1 642 . 1 . 1 52 52 ILE HG22 H 1 0.726 0.030 . 1 . . . . A 52 ILE HG22 . 36333 1 643 . 1 . 1 52 52 ILE HG23 H 1 0.726 0.030 . 1 . . . . A 52 ILE HG23 . 36333 1 644 . 1 . 1 52 52 ILE HD11 H 1 0.874 0.030 . 1 . . . . A 52 ILE HD11 . 36333 1 645 . 1 . 1 52 52 ILE HD12 H 1 0.874 0.030 . 1 . . . . A 52 ILE HD12 . 36333 1 646 . 1 . 1 52 52 ILE HD13 H 1 0.874 0.030 . 1 . . . . A 52 ILE HD13 . 36333 1 647 . 1 . 1 52 52 ILE C C 13 175.983 0.300 . 1 . . . . A 52 ILE C . 36333 1 648 . 1 . 1 52 52 ILE CA C 13 60.176 0.300 . 1 . . . . A 52 ILE CA . 36333 1 649 . 1 . 1 52 52 ILE CB C 13 38.973 0.300 . 1 . . . . A 52 ILE CB . 36333 1 650 . 1 . 1 52 52 ILE CG1 C 13 28.169 0.300 . 1 . . . . A 52 ILE CG1 . 36333 1 651 . 1 . 1 52 52 ILE CG2 C 13 17.650 0.300 . 1 . . . . A 52 ILE CG2 . 36333 1 652 . 1 . 1 52 52 ILE CD1 C 13 14.685 0.300 . 1 . . . . A 52 ILE CD1 . 36333 1 653 . 1 . 1 52 52 ILE N N 15 128.033 0.300 . 1 . . . . A 52 ILE N . 36333 1 654 . 1 . 1 53 53 LEU H H 1 9.185 0.030 . 1 . . . . A 53 LEU H . 36333 1 655 . 1 . 1 53 53 LEU HA H 1 4.896 0.030 . 1 . . . . A 53 LEU HA . 36333 1 656 . 1 . 1 53 53 LEU HB2 H 1 1.486 0.030 . 2 . . . . A 53 LEU HB2 . 36333 1 657 . 1 . 1 53 53 LEU HB3 H 1 1.658 0.030 . 2 . . . . A 53 LEU HB3 . 36333 1 658 . 1 . 1 53 53 LEU HD11 H 1 0.894 0.030 . 2 . . . . A 53 LEU HD11 . 36333 1 659 . 1 . 1 53 53 LEU HD12 H 1 0.894 0.030 . 2 . . . . A 53 LEU HD12 . 36333 1 660 . 1 . 1 53 53 LEU HD13 H 1 0.894 0.030 . 2 . . . . A 53 LEU HD13 . 36333 1 661 . 1 . 1 53 53 LEU HD21 H 1 0.899 0.030 . 2 . . . . A 53 LEU HD21 . 36333 1 662 . 1 . 1 53 53 LEU HD22 H 1 0.899 0.030 . 2 . . . . A 53 LEU HD22 . 36333 1 663 . 1 . 1 53 53 LEU HD23 H 1 0.899 0.030 . 2 . . . . A 53 LEU HD23 . 36333 1 664 . 1 . 1 53 53 LEU C C 13 175.402 0.300 . 1 . . . . A 53 LEU C . 36333 1 665 . 1 . 1 53 53 LEU CA C 13 53.416 0.300 . 1 . . . . A 53 LEU CA . 36333 1 666 . 1 . 1 53 53 LEU CB C 13 44.624 0.300 . 1 . . . . A 53 LEU CB . 36333 1 667 . 1 . 1 53 53 LEU CD1 C 13 23.128 0.300 . 2 . . . . A 53 LEU CD1 . 36333 1 668 . 1 . 1 53 53 LEU CD2 C 13 25.542 0.300 . 2 . . . . A 53 LEU CD2 . 36333 1 669 . 1 . 1 53 53 LEU N N 15 130.345 0.300 . 1 . . . . A 53 LEU N . 36333 1 670 . 1 . 1 54 54 THR H H 1 8.641 0.030 . 1 . . . . A 54 THR H . 36333 1 671 . 1 . 1 54 54 THR HA H 1 5.352 0.030 . 1 . . . . A 54 THR HA . 36333 1 672 . 1 . 1 54 54 THR HB H 1 4.053 0.030 . 1 . . . . A 54 THR HB . 36333 1 673 . 1 . 1 54 54 THR HG21 H 1 0.997 0.030 . 1 . . . . A 54 THR HG21 . 36333 1 674 . 1 . 1 54 54 THR HG22 H 1 0.997 0.030 . 1 . . . . A 54 THR HG22 . 36333 1 675 . 1 . 1 54 54 THR HG23 H 1 0.997 0.030 . 1 . . . . A 54 THR HG23 . 36333 1 676 . 1 . 1 54 54 THR C C 13 174.112 0.300 . 1 . . . . A 54 THR C . 36333 1 677 . 1 . 1 54 54 THR CA C 13 62.364 0.300 . 1 . . . . A 54 THR CA . 36333 1 678 . 1 . 1 54 54 THR CB C 13 70.134 0.300 . 1 . . . . A 54 THR CB . 36333 1 679 . 1 . 1 54 54 THR CG2 C 13 21.079 0.300 . 1 . . . . A 54 THR CG2 . 36333 1 680 . 1 . 1 54 54 THR N N 15 119.934 0.300 . 1 . . . . A 54 THR N . 36333 1 681 . 1 . 1 55 55 VAL H H 1 9.256 0.030 . 1 . . . . A 55 VAL H . 36333 1 682 . 1 . 1 55 55 VAL HA H 1 4.484 0.030 . 1 . . . . A 55 VAL HA . 36333 1 683 . 1 . 1 55 55 VAL HB H 1 2.027 0.030 . 1 . . . . A 55 VAL HB . 36333 1 684 . 1 . 1 55 55 VAL HG11 H 1 0.935 0.030 . 2 . . . . A 55 VAL HG11 . 36333 1 685 . 1 . 1 55 55 VAL HG12 H 1 0.935 0.030 . 2 . . . . A 55 VAL HG12 . 36333 1 686 . 1 . 1 55 55 VAL HG13 H 1 0.935 0.030 . 2 . . . . A 55 VAL HG13 . 36333 1 687 . 1 . 1 55 55 VAL HG21 H 1 1.196 0.030 . 2 . . . . A 55 VAL HG21 . 36333 1 688 . 1 . 1 55 55 VAL HG22 H 1 1.196 0.030 . 2 . . . . A 55 VAL HG22 . 36333 1 689 . 1 . 1 55 55 VAL HG23 H 1 1.196 0.030 . 2 . . . . A 55 VAL HG23 . 36333 1 690 . 1 . 1 55 55 VAL C C 13 173.480 0.300 . 1 . . . . A 55 VAL C . 36333 1 691 . 1 . 1 55 55 VAL CA C 13 60.922 0.300 . 1 . . . . A 55 VAL CA . 36333 1 692 . 1 . 1 55 55 VAL CB C 13 36.583 0.300 . 1 . . . . A 55 VAL CB . 36333 1 693 . 1 . 1 55 55 VAL CG1 C 13 21.837 0.300 . 2 . . . . A 55 VAL CG1 . 36333 1 694 . 1 . 1 55 55 VAL CG2 C 13 23.083 0.300 . 2 . . . . A 55 VAL CG2 . 36333 1 695 . 1 . 1 55 55 VAL N N 15 127.685 0.300 . 1 . . . . A 55 VAL N . 36333 1 696 . 1 . 1 56 56 THR H H 1 8.820 0.030 . 1 . . . . A 56 THR H . 36333 1 697 . 1 . 1 56 56 THR HA H 1 4.170 0.030 . 1 . . . . A 56 THR HA . 36333 1 698 . 1 . 1 56 56 THR HB H 1 4.401 0.030 . 1 . . . . A 56 THR HB . 36333 1 699 . 1 . 1 56 56 THR HG21 H 1 1.042 0.030 . 1 . . . . A 56 THR HG21 . 36333 1 700 . 1 . 1 56 56 THR HG22 H 1 1.042 0.030 . 1 . . . . A 56 THR HG22 . 36333 1 701 . 1 . 1 56 56 THR HG23 H 1 1.042 0.030 . 1 . . . . A 56 THR HG23 . 36333 1 702 . 1 . 1 56 56 THR C C 13 173.714 0.300 . 1 . . . . A 56 THR C . 36333 1 703 . 1 . 1 56 56 THR CA C 13 60.915 0.300 . 1 . . . . A 56 THR CA . 36333 1 704 . 1 . 1 56 56 THR CB C 13 70.376 0.300 . 1 . . . . A 56 THR CB . 36333 1 705 . 1 . 1 56 56 THR CG2 C 13 21.523 0.300 . 1 . . . . A 56 THR CG2 . 36333 1 706 . 1 . 1 56 56 THR N N 15 111.130 0.300 . 1 . . . . A 56 THR N . 36333 1 707 . 1 . 1 57 57 ASP H H 1 7.645 0.030 . 1 . . . . A 57 ASP H . 36333 1 708 . 1 . 1 57 57 ASP HA H 1 5.454 0.030 . 1 . . . . A 57 ASP HA . 36333 1 709 . 1 . 1 57 57 ASP HB2 H 1 2.829 0.030 . 2 . . . . A 57 ASP HB2 . 36333 1 710 . 1 . 1 57 57 ASP HB3 H 1 3.047 0.030 . 2 . . . . A 57 ASP HB3 . 36333 1 711 . 1 . 1 57 57 ASP CA C 13 50.591 0.300 . 1 . . . . A 57 ASP CA . 36333 1 712 . 1 . 1 57 57 ASP CB C 13 43.595 0.300 . 1 . . . . A 57 ASP CB . 36333 1 713 . 1 . 1 57 57 ASP N N 15 124.223 0.300 . 1 . . . . A 57 ASP N . 36333 1 714 . 1 . 1 58 58 PRO HA H 1 4.210 0.030 . 1 . . . . A 58 PRO HA . 36333 1 715 . 1 . 1 58 58 PRO HB2 H 1 2.102 0.030 . 2 . . . . A 58 PRO HB2 . 36333 1 716 . 1 . 1 58 58 PRO HB3 H 1 2.319 0.030 . 2 . . . . A 58 PRO HB3 . 36333 1 717 . 1 . 1 58 58 PRO HG2 H 1 2.225 0.030 . 1 . . . . A 58 PRO HG2 . 36333 1 718 . 1 . 1 58 58 PRO HG3 H 1 2.225 0.030 . 1 . . . . A 58 PRO HG3 . 36333 1 719 . 1 . 1 58 58 PRO HD2 H 1 4.311 0.030 . 1 . . . . A 58 PRO HD2 . 36333 1 720 . 1 . 1 58 58 PRO HD3 H 1 4.311 0.030 . 1 . . . . A 58 PRO HD3 . 36333 1 721 . 1 . 1 58 58 PRO C C 13 178.177 0.300 . 1 . . . . A 58 PRO C . 36333 1 722 . 1 . 1 58 58 PRO CA C 13 65.119 0.300 . 1 . . . . A 58 PRO CA . 36333 1 723 . 1 . 1 58 58 PRO CB C 13 32.549 0.300 . 1 . . . . A 58 PRO CB . 36333 1 724 . 1 . 1 58 58 PRO CG C 13 27.427 0.300 . 1 . . . . A 58 PRO CG . 36333 1 725 . 1 . 1 58 58 PRO CD C 13 51.710 0.300 . 1 . . . . A 58 PRO CD . 36333 1 726 . 1 . 1 59 59 ASN H H 1 8.638 0.030 . 1 . . . . A 59 ASN H . 36333 1 727 . 1 . 1 59 59 ASN HA H 1 4.512 0.030 . 1 . . . . A 59 ASN HA . 36333 1 728 . 1 . 1 59 59 ASN HB2 H 1 2.769 0.030 . 2 . . . . A 59 ASN HB2 . 36333 1 729 . 1 . 1 59 59 ASN HB3 H 1 3.033 0.030 . 2 . . . . A 59 ASN HB3 . 36333 1 730 . 1 . 1 59 59 ASN C C 13 178.334 0.300 . 1 . . . . A 59 ASN C . 36333 1 731 . 1 . 1 59 59 ASN CA C 13 56.212 0.300 . 1 . . . . A 59 ASN CA . 36333 1 732 . 1 . 1 59 59 ASN CB C 13 38.138 0.300 . 1 . . . . A 59 ASN CB . 36333 1 733 . 1 . 1 59 59 ASN N N 15 116.936 0.300 . 1 . . . . A 59 ASN N . 36333 1 734 . 1 . 1 60 60 GLU H H 1 7.728 0.030 . 1 . . . . A 60 GLU H . 36333 1 735 . 1 . 1 60 60 GLU HA H 1 4.197 0.030 . 1 . . . . A 60 GLU HA . 36333 1 736 . 1 . 1 60 60 GLU HB2 H 1 2.223 0.030 . 2 . . . . A 60 GLU HB2 . 36333 1 737 . 1 . 1 60 60 GLU HB3 H 1 2.335 0.030 . 2 . . . . A 60 GLU HB3 . 36333 1 738 . 1 . 1 60 60 GLU HG2 H 1 2.338 0.030 . 2 . . . . A 60 GLU HG2 . 36333 1 739 . 1 . 1 60 60 GLU HG3 H 1 2.457 0.030 . 2 . . . . A 60 GLU HG3 . 36333 1 740 . 1 . 1 60 60 GLU C C 13 178.069 0.300 . 1 . . . . A 60 GLU C . 36333 1 741 . 1 . 1 60 60 GLU CA C 13 58.688 0.300 . 1 . . . . A 60 GLU CA . 36333 1 742 . 1 . 1 60 60 GLU CB C 13 29.782 0.300 . 1 . . . . A 60 GLU CB . 36333 1 743 . 1 . 1 60 60 GLU CG C 13 36.148 0.300 . 1 . . . . A 60 GLU CG . 36333 1 744 . 1 . 1 60 60 GLU N N 15 122.375 0.300 . 1 . . . . A 60 GLU N . 36333 1 745 . 1 . 1 61 61 LEU H H 1 7.510 0.030 . 1 . . . . A 61 LEU H . 36333 1 746 . 1 . 1 61 61 LEU HA H 1 3.925 0.030 . 1 . . . . A 61 LEU HA . 36333 1 747 . 1 . 1 61 61 LEU HB2 H 1 1.503 0.030 . 2 . . . . A 61 LEU HB2 . 36333 1 748 . 1 . 1 61 61 LEU HB3 H 1 1.954 0.030 . 2 . . . . A 61 LEU HB3 . 36333 1 749 . 1 . 1 61 61 LEU HG H 1 1.481 0.030 . 1 . . . . A 61 LEU HG . 36333 1 750 . 1 . 1 61 61 LEU HD11 H 1 0.463 0.030 . 2 . . . . A 61 LEU HD11 . 36333 1 751 . 1 . 1 61 61 LEU HD12 H 1 0.463 0.030 . 2 . . . . A 61 LEU HD12 . 36333 1 752 . 1 . 1 61 61 LEU HD13 H 1 0.463 0.030 . 2 . . . . A 61 LEU HD13 . 36333 1 753 . 1 . 1 61 61 LEU HD21 H 1 0.775 0.030 . 2 . . . . A 61 LEU HD21 . 36333 1 754 . 1 . 1 61 61 LEU HD22 H 1 0.775 0.030 . 2 . . . . A 61 LEU HD22 . 36333 1 755 . 1 . 1 61 61 LEU HD23 H 1 0.775 0.030 . 2 . . . . A 61 LEU HD23 . 36333 1 756 . 1 . 1 61 61 LEU C C 13 177.159 0.300 . 1 . . . . A 61 LEU C . 36333 1 757 . 1 . 1 61 61 LEU CA C 13 59.061 0.300 . 1 . . . . A 61 LEU CA . 36333 1 758 . 1 . 1 61 61 LEU CB C 13 41.576 0.300 . 1 . . . . A 61 LEU CB . 36333 1 759 . 1 . 1 61 61 LEU CG C 13 27.150 0.300 . 1 . . . . A 61 LEU CG . 36333 1 760 . 1 . 1 61 61 LEU CD1 C 13 25.357 0.300 . 2 . . . . A 61 LEU CD1 . 36333 1 761 . 1 . 1 61 61 LEU CD2 C 13 25.254 0.300 . 2 . . . . A 61 LEU CD2 . 36333 1 762 . 1 . 1 61 61 LEU N N 15 118.848 0.300 . 1 . . . . A 61 LEU N . 36333 1 763 . 1 . 1 62 62 LYS H H 1 7.520 0.030 . 1 . . . . A 62 LYS H . 36333 1 764 . 1 . 1 62 62 LYS HA H 1 3.951 0.030 . 1 . . . . A 62 LYS HA . 36333 1 765 . 1 . 1 62 62 LYS HB2 H 1 1.815 0.030 . 2 . . . . A 62 LYS HB2 . 36333 1 766 . 1 . 1 62 62 LYS HB3 H 1 1.955 0.030 . 2 . . . . A 62 LYS HB3 . 36333 1 767 . 1 . 1 62 62 LYS HG2 H 1 1.402 0.030 . 1 . . . . A 62 LYS HG2 . 36333 1 768 . 1 . 1 62 62 LYS HG3 H 1 1.402 0.030 . 1 . . . . A 62 LYS HG3 . 36333 1 769 . 1 . 1 62 62 LYS HD2 H 1 1.542 0.030 . 1 . . . . A 62 LYS HD2 . 36333 1 770 . 1 . 1 62 62 LYS HD3 H 1 1.542 0.030 . 1 . . . . A 62 LYS HD3 . 36333 1 771 . 1 . 1 62 62 LYS HE2 H 1 2.878 0.030 . 1 . . . . A 62 LYS HE2 . 36333 1 772 . 1 . 1 62 62 LYS HE3 H 1 2.878 0.030 . 1 . . . . A 62 LYS HE3 . 36333 1 773 . 1 . 1 62 62 LYS C C 13 177.939 0.300 . 1 . . . . A 62 LYS C . 36333 1 774 . 1 . 1 62 62 LYS CA C 13 59.600 0.300 . 1 . . . . A 62 LYS CA . 36333 1 775 . 1 . 1 62 62 LYS CB C 13 32.481 0.300 . 1 . . . . A 62 LYS CB . 36333 1 776 . 1 . 1 62 62 LYS CG C 13 25.614 0.300 . 1 . . . . A 62 LYS CG . 36333 1 777 . 1 . 1 62 62 LYS CD C 13 25.632 0.300 . 1 . . . . A 62 LYS CD . 36333 1 778 . 1 . 1 62 62 LYS CE C 13 42.230 0.300 . 1 . . . . A 62 LYS CE . 36333 1 779 . 1 . 1 62 62 LYS N N 15 116.701 0.300 . 1 . . . . A 62 LYS N . 36333 1 780 . 1 . 1 63 63 LYS H H 1 7.532 0.030 . 1 . . . . A 63 LYS H . 36333 1 781 . 1 . 1 63 63 LYS HA H 1 4.102 0.030 . 1 . . . . A 63 LYS HA . 36333 1 782 . 1 . 1 63 63 LYS C C 13 178.978 0.300 . 1 . . . . A 63 LYS C . 36333 1 783 . 1 . 1 63 63 LYS CA C 13 59.499 0.300 . 1 . . . . A 63 LYS CA . 36333 1 784 . 1 . 1 63 63 LYS CB C 13 32.445 0.300 . 1 . . . . A 63 LYS CB . 36333 1 785 . 1 . 1 63 63 LYS CG C 13 25.118 0.300 . 1 . . . . A 63 LYS CG . 36333 1 786 . 1 . 1 63 63 LYS CE C 13 42.171 0.300 . 1 . . . . A 63 LYS CE . 36333 1 787 . 1 . 1 63 63 LYS N N 15 119.243 0.300 . 1 . . . . A 63 LYS N . 36333 1 788 . 1 . 1 64 64 ILE H H 1 8.160 0.030 . 1 . . . . A 64 ILE H . 36333 1 789 . 1 . 1 64 64 ILE HA H 1 3.791 0.030 . 1 . . . . A 64 ILE HA . 36333 1 790 . 1 . 1 64 64 ILE HB H 1 1.829 0.030 . 1 . . . . A 64 ILE HB . 36333 1 791 . 1 . 1 64 64 ILE HG12 H 1 1.105 0.030 . 2 . . . . A 64 ILE HG12 . 36333 1 792 . 1 . 1 64 64 ILE HG13 H 1 1.837 0.030 . 2 . . . . A 64 ILE HG13 . 36333 1 793 . 1 . 1 64 64 ILE HG21 H 1 0.865 0.030 . 1 . . . . A 64 ILE HG21 . 36333 1 794 . 1 . 1 64 64 ILE HG22 H 1 0.865 0.030 . 1 . . . . A 64 ILE HG22 . 36333 1 795 . 1 . 1 64 64 ILE HG23 H 1 0.865 0.030 . 1 . . . . A 64 ILE HG23 . 36333 1 796 . 1 . 1 64 64 ILE HD11 H 1 0.874 0.030 . 1 . . . . A 64 ILE HD11 . 36333 1 797 . 1 . 1 64 64 ILE HD12 H 1 0.874 0.030 . 1 . . . . A 64 ILE HD12 . 36333 1 798 . 1 . 1 64 64 ILE HD13 H 1 0.874 0.030 . 1 . . . . A 64 ILE HD13 . 36333 1 799 . 1 . 1 64 64 ILE C C 13 178.943 0.300 . 1 . . . . A 64 ILE C . 36333 1 800 . 1 . 1 64 64 ILE CA C 13 65.003 0.300 . 1 . . . . A 64 ILE CA . 36333 1 801 . 1 . 1 64 64 ILE CB C 13 38.271 0.300 . 1 . . . . A 64 ILE CB . 36333 1 802 . 1 . 1 64 64 ILE CG1 C 13 29.347 0.300 . 1 . . . . A 64 ILE CG1 . 36333 1 803 . 1 . 1 64 64 ILE CG2 C 13 18.165 0.300 . 1 . . . . A 64 ILE CG2 . 36333 1 804 . 1 . 1 64 64 ILE CD1 C 13 14.674 0.300 . 1 . . . . A 64 ILE CD1 . 36333 1 805 . 1 . 1 64 64 ILE N N 15 119.261 0.300 . 1 . . . . A 64 ILE N . 36333 1 806 . 1 . 1 65 65 GLN H H 1 8.333 0.030 . 1 . . . . A 65 GLN H . 36333 1 807 . 1 . 1 65 65 GLN HA H 1 4.153 0.030 . 1 . . . . A 65 GLN HA . 36333 1 808 . 1 . 1 65 65 GLN HB2 H 1 2.090 0.030 . 2 . . . . A 65 GLN HB2 . 36333 1 809 . 1 . 1 65 65 GLN HB3 H 1 2.188 0.030 . 2 . . . . A 65 GLN HB3 . 36333 1 810 . 1 . 1 65 65 GLN HG2 H 1 2.268 0.030 . 2 . . . . A 65 GLN HG2 . 36333 1 811 . 1 . 1 65 65 GLN HG3 H 1 2.423 0.030 . 2 . . . . A 65 GLN HG3 . 36333 1 812 . 1 . 1 65 65 GLN HE21 H 1 6.641 0.030 . 2 . . . . A 65 GLN HE21 . 36333 1 813 . 1 . 1 65 65 GLN HE22 H 1 7.269 0.030 . 2 . . . . A 65 GLN HE22 . 36333 1 814 . 1 . 1 65 65 GLN C C 13 179.289 0.300 . 1 . . . . A 65 GLN C . 36333 1 815 . 1 . 1 65 65 GLN CA C 13 59.098 0.300 . 1 . . . . A 65 GLN CA . 36333 1 816 . 1 . 1 65 65 GLN CB C 13 28.999 0.300 . 1 . . . . A 65 GLN CB . 36333 1 817 . 1 . 1 65 65 GLN CG C 13 34.392 0.300 . 1 . . . . A 65 GLN CG . 36333 1 818 . 1 . 1 65 65 GLN N N 15 119.749 0.300 . 1 . . . . A 65 GLN N . 36333 1 819 . 1 . 1 65 65 GLN NE2 N 15 109.383 0.300 . 1 . . . . A 65 GLN NE2 . 36333 1 820 . 1 . 1 66 66 ASP H H 1 8.308 0.030 . 1 . . . . A 66 ASP H . 36333 1 821 . 1 . 1 66 66 ASP HA H 1 4.489 0.030 . 1 . . . . A 66 ASP HA . 36333 1 822 . 1 . 1 66 66 ASP HB2 H 1 2.724 0.030 . 2 . . . . A 66 ASP HB2 . 36333 1 823 . 1 . 1 66 66 ASP HB3 H 1 2.900 0.030 . 2 . . . . A 66 ASP HB3 . 36333 1 824 . 1 . 1 66 66 ASP C C 13 178.063 0.300 . 1 . . . . A 66 ASP C . 36333 1 825 . 1 . 1 66 66 ASP CA C 13 56.790 0.300 . 1 . . . . A 66 ASP CA . 36333 1 826 . 1 . 1 66 66 ASP CB C 13 40.892 0.300 . 1 . . . . A 66 ASP CB . 36333 1 827 . 1 . 1 66 66 ASP N N 15 119.762 0.300 . 1 . . . . A 66 ASP N . 36333 1 828 . 1 . 1 67 67 GLU H H 1 7.801 0.030 . 1 . . . . A 67 GLU H . 36333 1 829 . 1 . 1 67 67 GLU HA H 1 4.262 0.030 . 1 . . . . A 67 GLU HA . 36333 1 830 . 1 . 1 67 67 GLU HB2 H 1 2.191 0.030 . 1 . . . . A 67 GLU HB2 . 36333 1 831 . 1 . 1 67 67 GLU HB3 H 1 2.191 0.030 . 1 . . . . A 67 GLU HB3 . 36333 1 832 . 1 . 1 67 67 GLU HG2 H 1 2.300 0.030 . 2 . . . . A 67 GLU HG2 . 36333 1 833 . 1 . 1 67 67 GLU HG3 H 1 2.589 0.030 . 2 . . . . A 67 GLU HG3 . 36333 1 834 . 1 . 1 67 67 GLU C C 13 178.015 0.300 . 1 . . . . A 67 GLU C . 36333 1 835 . 1 . 1 67 67 GLU CA C 13 57.592 0.300 . 1 . . . . A 67 GLU CA . 36333 1 836 . 1 . 1 67 67 GLU CB C 13 30.350 0.300 . 1 . . . . A 67 GLU CB . 36333 1 837 . 1 . 1 67 67 GLU CG C 13 36.908 0.300 . 1 . . . . A 67 GLU CG . 36333 1 838 . 1 . 1 67 67 GLU N N 15 117.911 0.300 . 1 . . . . A 67 GLU N . 36333 1 839 . 1 . 1 68 68 GLY H H 1 7.837 0.030 . 1 . . . . A 68 GLY H . 36333 1 840 . 1 . 1 68 68 GLY HA2 H 1 4.026 0.030 . 2 . . . . A 68 GLY HA2 . 36333 1 841 . 1 . 1 68 68 GLY HA3 H 1 4.116 0.030 . 2 . . . . A 68 GLY HA3 . 36333 1 842 . 1 . 1 68 68 GLY C C 13 174.110 0.300 . 1 . . . . A 68 GLY C . 36333 1 843 . 1 . 1 68 68 GLY CA C 13 46.321 0.300 . 1 . . . . A 68 GLY CA . 36333 1 844 . 1 . 1 68 68 GLY N N 15 107.002 0.300 . 1 . . . . A 68 GLY N . 36333 1 845 . 1 . 1 69 69 LYS H H 1 8.207 0.030 . 1 . . . . A 69 LYS H . 36333 1 846 . 1 . 1 69 69 LYS HA H 1 4.479 0.030 . 1 . . . . A 69 LYS HA . 36333 1 847 . 1 . 1 69 69 LYS HB2 H 1 1.744 0.030 . 2 . . . . A 69 LYS HB2 . 36333 1 848 . 1 . 1 69 69 LYS HB3 H 1 1.972 0.030 . 2 . . . . A 69 LYS HB3 . 36333 1 849 . 1 . 1 69 69 LYS HG2 H 1 1.411 0.030 . 1 . . . . A 69 LYS HG2 . 36333 1 850 . 1 . 1 69 69 LYS HG3 H 1 1.411 0.030 . 1 . . . . A 69 LYS HG3 . 36333 1 851 . 1 . 1 69 69 LYS HD2 H 1 1.733 0.030 . 1 . . . . A 69 LYS HD2 . 36333 1 852 . 1 . 1 69 69 LYS HD3 H 1 1.733 0.030 . 1 . . . . A 69 LYS HD3 . 36333 1 853 . 1 . 1 69 69 LYS HE2 H 1 3.020 0.030 . 1 . . . . A 69 LYS HE2 . 36333 1 854 . 1 . 1 69 69 LYS HE3 H 1 3.020 0.030 . 1 . . . . A 69 LYS HE3 . 36333 1 855 . 1 . 1 69 69 LYS C C 13 176.185 0.300 . 1 . . . . A 69 LYS C . 36333 1 856 . 1 . 1 69 69 LYS CA C 13 55.999 0.300 . 1 . . . . A 69 LYS CA . 36333 1 857 . 1 . 1 69 69 LYS CB C 13 32.844 0.300 . 1 . . . . A 69 LYS CB . 36333 1 858 . 1 . 1 69 69 LYS CG C 13 25.060 0.300 . 1 . . . . A 69 LYS CG . 36333 1 859 . 1 . 1 69 69 LYS CE C 13 42.235 0.300 . 1 . . . . A 69 LYS CE . 36333 1 860 . 1 . 1 69 69 LYS N N 15 118.537 0.300 . 1 . . . . A 69 LYS N . 36333 1 861 . 1 . 1 70 70 VAL H H 1 8.241 0.030 . 1 . . . . A 70 VAL H . 36333 1 862 . 1 . 1 70 70 VAL HA H 1 4.195 0.030 . 1 . . . . A 70 VAL HA . 36333 1 863 . 1 . 1 70 70 VAL HB H 1 2.104 0.030 . 1 . . . . A 70 VAL HB . 36333 1 864 . 1 . 1 70 70 VAL HG11 H 1 0.859 0.030 . 2 . . . . A 70 VAL HG11 . 36333 1 865 . 1 . 1 70 70 VAL HG12 H 1 0.859 0.030 . 2 . . . . A 70 VAL HG12 . 36333 1 866 . 1 . 1 70 70 VAL HG13 H 1 0.859 0.030 . 2 . . . . A 70 VAL HG13 . 36333 1 867 . 1 . 1 70 70 VAL HG21 H 1 0.873 0.030 . 2 . . . . A 70 VAL HG21 . 36333 1 868 . 1 . 1 70 70 VAL HG22 H 1 0.873 0.030 . 2 . . . . A 70 VAL HG22 . 36333 1 869 . 1 . 1 70 70 VAL HG23 H 1 0.873 0.030 . 2 . . . . A 70 VAL HG23 . 36333 1 870 . 1 . 1 70 70 VAL C C 13 175.378 0.300 . 1 . . . . A 70 VAL C . 36333 1 871 . 1 . 1 70 70 VAL CA C 13 61.750 0.300 . 1 . . . . A 70 VAL CA . 36333 1 872 . 1 . 1 70 70 VAL CB C 13 33.003 0.300 . 1 . . . . A 70 VAL CB . 36333 1 873 . 1 . 1 70 70 VAL CG1 C 13 21.803 0.300 . 2 . . . . A 70 VAL CG1 . 36333 1 874 . 1 . 1 70 70 VAL CG2 C 13 22.408 0.300 . 2 . . . . A 70 VAL CG2 . 36333 1 875 . 1 . 1 70 70 VAL N N 15 120.051 0.300 . 1 . . . . A 70 VAL N . 36333 1 876 . 1 . 1 71 71 ASP H H 1 8.939 0.030 . 1 . . . . A 71 ASP H . 36333 1 877 . 1 . 1 71 71 ASP HA H 1 4.677 0.030 . 1 . . . . A 71 ASP HA . 36333 1 878 . 1 . 1 71 71 ASP HB2 H 1 2.587 0.030 . 2 . . . . A 71 ASP HB2 . 36333 1 879 . 1 . 1 71 71 ASP HB3 H 1 2.699 0.030 . 2 . . . . A 71 ASP HB3 . 36333 1 880 . 1 . 1 71 71 ASP C C 13 176.188 0.300 . 1 . . . . A 71 ASP C . 36333 1 881 . 1 . 1 71 71 ASP CA C 13 56.208 0.300 . 1 . . . . A 71 ASP CA . 36333 1 882 . 1 . 1 71 71 ASP CB C 13 42.291 0.300 . 1 . . . . A 71 ASP CB . 36333 1 883 . 1 . 1 71 71 ASP N N 15 125.880 0.300 . 1 . . . . A 71 ASP N . 36333 1 884 . 1 . 1 72 72 ARG H H 1 7.297 0.030 . 1 . . . . A 72 ARG H . 36333 1 885 . 1 . 1 72 72 ARG HA H 1 4.689 0.030 . 1 . . . . A 72 ARG HA . 36333 1 886 . 1 . 1 72 72 ARG HB2 H 1 1.736 0.030 . 2 . . . . A 72 ARG HB2 . 36333 1 887 . 1 . 1 72 72 ARG HB3 H 1 1.861 0.030 . 2 . . . . A 72 ARG HB3 . 36333 1 888 . 1 . 1 72 72 ARG HG2 H 1 1.422 0.030 . 2 . . . . A 72 ARG HG2 . 36333 1 889 . 1 . 1 72 72 ARG HG3 H 1 1.830 0.030 . 2 . . . . A 72 ARG HG3 . 36333 1 890 . 1 . 1 72 72 ARG HD2 H 1 2.922 0.030 . 2 . . . . A 72 ARG HD2 . 36333 1 891 . 1 . 1 72 72 ARG HD3 H 1 3.212 0.030 . 2 . . . . A 72 ARG HD3 . 36333 1 892 . 1 . 1 72 72 ARG HE H 1 8.335 0.030 . 1 . . . . A 72 ARG HE . 36333 1 893 . 1 . 1 72 72 ARG C C 13 173.043 0.300 . 1 . . . . A 72 ARG C . 36333 1 894 . 1 . 1 72 72 ARG CA C 13 55.781 0.300 . 1 . . . . A 72 ARG CA . 36333 1 895 . 1 . 1 72 72 ARG CB C 13 34.975 0.300 . 1 . . . . A 72 ARG CB . 36333 1 896 . 1 . 1 72 72 ARG CG C 13 26.120 0.300 . 1 . . . . A 72 ARG CG . 36333 1 897 . 1 . 1 72 72 ARG CD C 13 44.549 0.300 . 1 . . . . A 72 ARG CD . 36333 1 898 . 1 . 1 72 72 ARG N N 15 118.698 0.300 . 1 . . . . A 72 ARG N . 36333 1 899 . 1 . 1 73 73 ILE H H 1 8.463 0.030 . 1 . . . . A 73 ILE H . 36333 1 900 . 1 . 1 73 73 ILE HA H 1 5.078 0.030 . 1 . . . . A 73 ILE HA . 36333 1 901 . 1 . 1 73 73 ILE HB H 1 1.720 0.030 . 1 . . . . A 73 ILE HB . 36333 1 902 . 1 . 1 73 73 ILE HG12 H 1 0.881 0.030 . 2 . . . . A 73 ILE HG12 . 36333 1 903 . 1 . 1 73 73 ILE HG13 H 1 1.701 0.030 . 2 . . . . A 73 ILE HG13 . 36333 1 904 . 1 . 1 73 73 ILE HG21 H 1 0.801 0.030 . 1 . . . . A 73 ILE HG21 . 36333 1 905 . 1 . 1 73 73 ILE HG22 H 1 0.801 0.030 . 1 . . . . A 73 ILE HG22 . 36333 1 906 . 1 . 1 73 73 ILE HG23 H 1 0.801 0.030 . 1 . . . . A 73 ILE HG23 . 36333 1 907 . 1 . 1 73 73 ILE HD11 H 1 0.802 0.030 . 1 . . . . A 73 ILE HD11 . 36333 1 908 . 1 . 1 73 73 ILE HD12 H 1 0.802 0.030 . 1 . . . . A 73 ILE HD12 . 36333 1 909 . 1 . 1 73 73 ILE HD13 H 1 0.802 0.030 . 1 . . . . A 73 ILE HD13 . 36333 1 910 . 1 . 1 73 73 ILE C C 13 173.677 0.300 . 1 . . . . A 73 ILE C . 36333 1 911 . 1 . 1 73 73 ILE CA C 13 60.408 0.300 . 1 . . . . A 73 ILE CA . 36333 1 912 . 1 . 1 73 73 ILE CB C 13 40.401 0.300 . 1 . . . . A 73 ILE CB . 36333 1 913 . 1 . 1 73 73 ILE CG1 C 13 28.289 0.300 . 1 . . . . A 73 ILE CG1 . 36333 1 914 . 1 . 1 73 73 ILE CG2 C 13 17.639 0.300 . 1 . . . . A 73 ILE CG2 . 36333 1 915 . 1 . 1 73 73 ILE CD1 C 13 13.660 0.300 . 1 . . . . A 73 ILE CD1 . 36333 1 916 . 1 . 1 73 73 ILE N N 15 125.065 0.300 . 1 . . . . A 73 ILE N . 36333 1 917 . 1 . 1 74 74 ILE H H 1 9.258 0.030 . 1 . . . . A 74 ILE H . 36333 1 918 . 1 . 1 74 74 ILE HA H 1 4.682 0.030 . 1 . . . . A 74 ILE HA . 36333 1 919 . 1 . 1 74 74 ILE HB H 1 1.768 0.030 . 1 . . . . A 74 ILE HB . 36333 1 920 . 1 . 1 74 74 ILE HG12 H 1 1.089 0.030 . 2 . . . . A 74 ILE HG12 . 36333 1 921 . 1 . 1 74 74 ILE HG13 H 1 1.478 0.030 . 2 . . . . A 74 ILE HG13 . 36333 1 922 . 1 . 1 74 74 ILE HG21 H 1 1.005 0.030 . 1 . . . . A 74 ILE HG21 . 36333 1 923 . 1 . 1 74 74 ILE HG22 H 1 1.005 0.030 . 1 . . . . A 74 ILE HG22 . 36333 1 924 . 1 . 1 74 74 ILE HG23 H 1 1.005 0.030 . 1 . . . . A 74 ILE HG23 . 36333 1 925 . 1 . 1 74 74 ILE HD11 H 1 0.745 0.030 . 1 . . . . A 74 ILE HD11 . 36333 1 926 . 1 . 1 74 74 ILE HD12 H 1 0.745 0.030 . 1 . . . . A 74 ILE HD12 . 36333 1 927 . 1 . 1 74 74 ILE HD13 H 1 0.745 0.030 . 1 . . . . A 74 ILE HD13 . 36333 1 928 . 1 . 1 74 74 ILE C C 13 173.644 0.300 . 1 . . . . A 74 ILE C . 36333 1 929 . 1 . 1 74 74 ILE CA C 13 60.279 0.300 . 1 . . . . A 74 ILE CA . 36333 1 930 . 1 . 1 74 74 ILE CB C 13 41.187 0.300 . 1 . . . . A 74 ILE CB . 36333 1 931 . 1 . 1 74 74 ILE CG1 C 13 27.881 0.300 . 1 . . . . A 74 ILE CG1 . 36333 1 932 . 1 . 1 74 74 ILE CG2 C 13 18.660 0.300 . 1 . . . . A 74 ILE CG2 . 36333 1 933 . 1 . 1 74 74 ILE CD1 C 13 14.441 0.300 . 1 . . . . A 74 ILE CD1 . 36333 1 934 . 1 . 1 74 74 ILE N N 15 128.044 0.300 . 1 . . . . A 74 ILE N . 36333 1 935 . 1 . 1 75 75 LEU H H 1 8.774 0.030 . 1 . . . . A 75 LEU H . 36333 1 936 . 1 . 1 75 75 LEU HA H 1 5.344 0.030 . 1 . . . . A 75 LEU HA . 36333 1 937 . 1 . 1 75 75 LEU HB2 H 1 1.425 0.030 . 2 . . . . A 75 LEU HB2 . 36333 1 938 . 1 . 1 75 75 LEU HB3 H 1 1.882 0.030 . 2 . . . . A 75 LEU HB3 . 36333 1 939 . 1 . 1 75 75 LEU C C 13 173.576 0.300 . 1 . . . . A 75 LEU C . 36333 1 940 . 1 . 1 75 75 LEU CA C 13 53.965 0.300 . 1 . . . . A 75 LEU CA . 36333 1 941 . 1 . 1 75 75 LEU CB C 13 45.846 0.300 . 1 . . . . A 75 LEU CB . 36333 1 942 . 1 . 1 75 75 LEU CD1 C 13 25.358 0.300 . 1 . . . . A 75 LEU CD1 . 36333 1 943 . 1 . 1 75 75 LEU CD2 C 13 25.358 0.300 . 1 . . . . A 75 LEU CD2 . 36333 1 944 . 1 . 1 75 75 LEU N N 15 129.075 0.300 . 1 . . . . A 75 LEU N . 36333 1 945 . 1 . 1 76 76 LEU H H 1 9.300 0.030 . 1 . . . . A 76 LEU H . 36333 1 946 . 1 . 1 76 76 LEU HA H 1 5.391 0.030 . 1 . . . . A 76 LEU HA . 36333 1 947 . 1 . 1 76 76 LEU HB2 H 1 1.325 0.030 . 2 . . . . A 76 LEU HB2 . 36333 1 948 . 1 . 1 76 76 LEU HB3 H 1 2.022 0.030 . 2 . . . . A 76 LEU HB3 . 36333 1 949 . 1 . 1 76 76 LEU HG H 1 1.810 0.030 . 1 . . . . A 76 LEU HG . 36333 1 950 . 1 . 1 76 76 LEU HD11 H 1 0.986 0.030 . 2 . . . . A 76 LEU HD11 . 36333 1 951 . 1 . 1 76 76 LEU HD12 H 1 0.986 0.030 . 2 . . . . A 76 LEU HD12 . 36333 1 952 . 1 . 1 76 76 LEU HD13 H 1 0.986 0.030 . 2 . . . . A 76 LEU HD13 . 36333 1 953 . 1 . 1 76 76 LEU HD21 H 1 0.960 0.030 . 2 . . . . A 76 LEU HD21 . 36333 1 954 . 1 . 1 76 76 LEU HD22 H 1 0.960 0.030 . 2 . . . . A 76 LEU HD22 . 36333 1 955 . 1 . 1 76 76 LEU HD23 H 1 0.960 0.030 . 2 . . . . A 76 LEU HD23 . 36333 1 956 . 1 . 1 76 76 LEU C C 13 174.581 0.300 . 1 . . . . A 76 LEU C . 36333 1 957 . 1 . 1 76 76 LEU CA C 13 53.181 0.300 . 1 . . . . A 76 LEU CA . 36333 1 958 . 1 . 1 76 76 LEU CB C 13 42.706 0.300 . 1 . . . . A 76 LEU CB . 36333 1 959 . 1 . 1 76 76 LEU CG C 13 27.464 0.300 . 1 . . . . A 76 LEU CG . 36333 1 960 . 1 . 1 76 76 LEU CD1 C 13 25.929 0.300 . 2 . . . . A 76 LEU CD1 . 36333 1 961 . 1 . 1 76 76 LEU CD2 C 13 26.531 0.300 . 2 . . . . A 76 LEU CD2 . 36333 1 962 . 1 . 1 76 76 LEU N N 15 125.688 0.300 . 1 . . . . A 76 LEU N . 36333 1 963 . 1 . 1 77 77 ILE H H 1 8.719 0.030 . 1 . . . . A 77 ILE H . 36333 1 964 . 1 . 1 77 77 ILE HA H 1 4.929 0.030 . 1 . . . . A 77 ILE HA . 36333 1 965 . 1 . 1 77 77 ILE HB H 1 1.641 0.030 . 1 . . . . A 77 ILE HB . 36333 1 966 . 1 . 1 77 77 ILE HG12 H 1 0.822 0.030 . 2 . . . . A 77 ILE HG12 . 36333 1 967 . 1 . 1 77 77 ILE HG13 H 1 1.583 0.030 . 2 . . . . A 77 ILE HG13 . 36333 1 968 . 1 . 1 77 77 ILE HG21 H 1 0.807 0.030 . 1 . . . . A 77 ILE HG21 . 36333 1 969 . 1 . 1 77 77 ILE HG22 H 1 0.807 0.030 . 1 . . . . A 77 ILE HG22 . 36333 1 970 . 1 . 1 77 77 ILE HG23 H 1 0.807 0.030 . 1 . . . . A 77 ILE HG23 . 36333 1 971 . 1 . 1 77 77 ILE HD11 H 1 0.792 0.030 . 1 . . . . A 77 ILE HD11 . 36333 1 972 . 1 . 1 77 77 ILE HD12 H 1 0.792 0.030 . 1 . . . . A 77 ILE HD12 . 36333 1 973 . 1 . 1 77 77 ILE HD13 H 1 0.792 0.030 . 1 . . . . A 77 ILE HD13 . 36333 1 974 . 1 . 1 77 77 ILE C C 13 174.984 0.300 . 1 . . . . A 77 ILE C . 36333 1 975 . 1 . 1 77 77 ILE CA C 13 59.296 0.300 . 1 . . . . A 77 ILE CA . 36333 1 976 . 1 . 1 77 77 ILE CB C 13 42.173 0.300 . 1 . . . . A 77 ILE CB . 36333 1 977 . 1 . 1 77 77 ILE CG1 C 13 27.370 0.300 . 1 . . . . A 77 ILE CG1 . 36333 1 978 . 1 . 1 77 77 ILE CG2 C 13 17.707 0.300 . 1 . . . . A 77 ILE CG2 . 36333 1 979 . 1 . 1 77 77 ILE CD1 C 13 14.517 0.300 . 1 . . . . A 77 ILE CD1 . 36333 1 980 . 1 . 1 77 77 ILE N N 15 120.062 0.300 . 1 . . . . A 77 ILE N . 36333 1 981 . 1 . 1 78 78 LYS H H 1 7.743 0.030 . 1 . . . . A 78 LYS H . 36333 1 982 . 1 . 1 78 78 LYS HA H 1 4.950 0.030 . 1 . . . . A 78 LYS HA . 36333 1 983 . 1 . 1 78 78 LYS HB2 H 1 1.718 0.030 . 2 . . . . A 78 LYS HB2 . 36333 1 984 . 1 . 1 78 78 LYS HB3 H 1 2.101 0.030 . 2 . . . . A 78 LYS HB3 . 36333 1 985 . 1 . 1 78 78 LYS HG2 H 1 1.620 0.030 . 1 . . . . A 78 LYS HG2 . 36333 1 986 . 1 . 1 78 78 LYS HG3 H 1 1.620 0.030 . 1 . . . . A 78 LYS HG3 . 36333 1 987 . 1 . 1 78 78 LYS HD2 H 1 1.829 0.030 . 2 . . . . A 78 LYS HD2 . 36333 1 988 . 1 . 1 78 78 LYS HD3 H 1 1.886 0.030 . 2 . . . . A 78 LYS HD3 . 36333 1 989 . 1 . 1 78 78 LYS HE2 H 1 3.237 0.030 . 1 . . . . A 78 LYS HE2 . 36333 1 990 . 1 . 1 78 78 LYS HE3 H 1 3.237 0.030 . 1 . . . . A 78 LYS HE3 . 36333 1 991 . 1 . 1 78 78 LYS C C 13 175.787 0.300 . 1 . . . . A 78 LYS C . 36333 1 992 . 1 . 1 78 78 LYS CA C 13 55.231 0.300 . 1 . . . . A 78 LYS CA . 36333 1 993 . 1 . 1 78 78 LYS CB C 13 33.925 0.300 . 1 . . . . A 78 LYS CB . 36333 1 994 . 1 . 1 78 78 LYS CG C 13 25.339 0.300 . 1 . . . . A 78 LYS CG . 36333 1 995 . 1 . 1 78 78 LYS CD C 13 29.759 0.300 . 1 . . . . A 78 LYS CD . 36333 1 996 . 1 . 1 78 78 LYS CE C 13 42.592 0.300 . 1 . . . . A 78 LYS CE . 36333 1 997 . 1 . 1 78 78 LYS N N 15 125.156 0.300 . 1 . . . . A 78 LYS N . 36333 1 998 . 1 . 1 79 79 GLY H H 1 8.181 0.030 . 1 . . . . A 79 GLY H . 36333 1 999 . 1 . 1 79 79 GLY HA2 H 1 3.952 0.030 . 2 . . . . A 79 GLY HA2 . 36333 1 1000 . 1 . 1 79 79 GLY HA3 H 1 4.162 0.030 . 2 . . . . A 79 GLY HA3 . 36333 1 1001 . 1 . 1 79 79 GLY C C 13 179.090 0.300 . 1 . . . . A 79 GLY C . 36333 1 1002 . 1 . 1 79 79 GLY CA C 13 45.246 0.300 . 1 . . . . A 79 GLY CA . 36333 1 1003 . 1 . 1 79 79 GLY N N 15 115.521 0.300 . 1 . . . . A 79 GLY N . 36333 1 1004 . 1 . 1 80 80 SER H H 1 8.422 0.030 . 1 . . . . A 80 SER H . 36333 1 1005 . 1 . 1 80 80 SER HA H 1 3.878 0.030 . 1 . . . . A 80 SER HA . 36333 1 1006 . 1 . 1 80 80 SER HB2 H 1 3.599 0.030 . 2 . . . . A 80 SER HB2 . 36333 1 1007 . 1 . 1 80 80 SER HB3 H 1 3.686 0.030 . 2 . . . . A 80 SER HB3 . 36333 1 1008 . 1 . 1 80 80 SER C C 13 174.430 0.300 . 1 . . . . A 80 SER C . 36333 1 1009 . 1 . 1 80 80 SER CA C 13 64.691 0.300 . 1 . . . . A 80 SER CA . 36333 1 1010 . 1 . 1 80 80 SER CB C 13 65.435 0.300 . 1 . . . . A 80 SER CB . 36333 1 1011 . 1 . 1 80 80 SER N N 15 120.036 0.300 . 1 . . . . A 80 SER N . 36333 1 1012 . 1 . 1 81 81 LEU H H 1 8.525 0.030 . 1 . . . . A 81 LEU H . 36333 1 1013 . 1 . 1 81 81 LEU HA H 1 4.389 0.030 . 1 . . . . A 81 LEU HA . 36333 1 1014 . 1 . 1 81 81 LEU HB2 H 1 1.616 0.030 . 1 . . . . A 81 LEU HB2 . 36333 1 1015 . 1 . 1 81 81 LEU HB3 H 1 1.616 0.030 . 1 . . . . A 81 LEU HB3 . 36333 1 1016 . 1 . 1 81 81 LEU HD11 H 1 0.911 0.030 . 2 . . . . A 81 LEU HD11 . 36333 1 1017 . 1 . 1 81 81 LEU HD12 H 1 0.911 0.030 . 2 . . . . A 81 LEU HD12 . 36333 1 1018 . 1 . 1 81 81 LEU HD13 H 1 0.911 0.030 . 2 . . . . A 81 LEU HD13 . 36333 1 1019 . 1 . 1 81 81 LEU HD21 H 1 0.954 0.030 . 2 . . . . A 81 LEU HD21 . 36333 1 1020 . 1 . 1 81 81 LEU HD22 H 1 0.954 0.030 . 2 . . . . A 81 LEU HD22 . 36333 1 1021 . 1 . 1 81 81 LEU HD23 H 1 0.954 0.030 . 2 . . . . A 81 LEU HD23 . 36333 1 1022 . 1 . 1 81 81 LEU C C 13 177.213 0.300 . 1 . . . . A 81 LEU C . 36333 1 1023 . 1 . 1 81 81 LEU CA C 13 55.305 0.300 . 1 . . . . A 81 LEU CA . 36333 1 1024 . 1 . 1 81 81 LEU CB C 13 42.412 0.300 . 1 . . . . A 81 LEU CB . 36333 1 1025 . 1 . 1 81 81 LEU CD1 C 13 23.980 0.300 . 2 . . . . A 81 LEU CD1 . 36333 1 1026 . 1 . 1 81 81 LEU CD2 C 13 24.897 0.300 . 2 . . . . A 81 LEU CD2 . 36333 1 1027 . 1 . 1 81 81 LEU N N 15 124.213 0.300 . 1 . . . . A 81 LEU N . 36333 1 1028 . 1 . 1 82 82 GLU H H 1 8.426 0.030 . 1 . . . . A 82 GLU H . 36333 1 1029 . 1 . 1 82 82 GLU HA H 1 4.286 0.030 . 1 . . . . A 82 GLU HA . 36333 1 1030 . 1 . 1 82 82 GLU HB2 H 1 1.917 0.030 . 1 . . . . A 82 GLU HB2 . 36333 1 1031 . 1 . 1 82 82 GLU HB3 H 1 1.917 0.030 . 1 . . . . A 82 GLU HB3 . 36333 1 1032 . 1 . 1 82 82 GLU HG2 H 1 2.191 0.030 . 2 . . . . A 82 GLU HG2 . 36333 1 1033 . 1 . 1 82 82 GLU HG3 H 1 2.273 0.030 . 2 . . . . A 82 GLU HG3 . 36333 1 1034 . 1 . 1 82 82 GLU CA C 13 56.397 0.300 . 1 . . . . A 82 GLU CA . 36333 1 1035 . 1 . 1 82 82 GLU CB C 13 30.248 0.300 . 1 . . . . A 82 GLU CB . 36333 1 1036 . 1 . 1 82 82 GLU CG C 13 36.240 0.300 . 1 . . . . A 82 GLU CG . 36333 1 1037 . 1 . 1 82 82 GLU N N 15 121.268 0.300 . 1 . . . . A 82 GLU N . 36333 1 1038 . 1 . 1 83 83 HIS C C 13 177.668 0.300 . 1 . . . . A 83 HIS C . 36333 1 1039 . 1 . 1 84 84 HIS CD2 C 13 119.898 0.300 . 1 . . . . A 84 HIS CD2 . 36333 1 1040 . 1 . 1 85 85 HIS CD2 C 13 119.948 0.300 . 1 . . . . A 85 HIS CD2 . 36333 1 1041 . 1 . 1 86 86 HIS CB C 13 30.574 0.300 . 1 . . . . A 86 HIS CB . 36333 1 1042 . 1 . 1 86 86 HIS CD2 C 13 119.971 0.300 . 1 . . . . A 86 HIS CD2 . 36333 1 1043 . 1 . 1 87 87 HIS CD2 C 13 119.949 0.300 . 1 . . . . A 87 HIS CD2 . 36333 1 stop_ save_