data_36331 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36331 _Entry.Title ; Solution NMR structure of NF6; 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' 36331 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. . . . 36331 2 T. Nagashima T. . . . 36331 3 S. Minami S. . . . 36331 4 R. Koga R. . . . 36331 5 G. Chikenji G. . . . 36331 6 N. Koga N. . . . 36331 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 36331 'de novo designed protein' . 36331 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36331 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 448 36331 '15N chemical shifts' 101 36331 '1H chemical shifts' 738 36331 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' 36331 1 . . 2021-03-29 2020-03-24 original author 'original release' 36331 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' 36331 BMRB 36328 'Solution NMR structure of NF2; de novo designed protein with a novel fold' 36331 BMRB 36329 'Solution NMR structure of NF7; de novo designed protein with a novel fold' 36331 BMRB 36330 'Solution NMR structure of NF5; de novo designed protein with a novel fold' 36331 BMRB 36332 'Solution NMR structure of NF4; de novo designed protein with a novel fold' 36331 BMRB 36333 'Solution NMR structure of NF8 (knot fold); de novo designed protein with a novel fold' 36331 BMRB 36334 'Solution NMR structure of NF3; de novo designed protein with a novel fold' 36331 PDB 7BQB . 36331 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36331 _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. . . . 36331 1 2 T. Kobayashi T. . . . 36331 1 3 T. Sugiki T. . . . 36331 1 4 T. Nagashima T. . . . 36331 1 5 T. Fujiwara T. . . . 36331 1 6 R. Koga R. . . . 36331 1 7 G. Chikenji G. . . . 36331 1 8 N. Koga N. . . . 36331 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36331 _Assembly.ID 1 _Assembly.Name NF6 _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 . . . . . . 36331 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36331 _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 ; GKLYEVDSPDSVEKIARELG LSEEQLRRIQKEFERAERKG KLVIVYLTSDGKVEIREVTS EEELEKILKKLGVDEEIIRR IKRLRKEGQIKLVIIEGSLE HHHHHH ; _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 106 _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 12499.396 _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 . 36331 1 2 2 LYS . 36331 1 3 3 LEU . 36331 1 4 4 TYR . 36331 1 5 5 GLU . 36331 1 6 6 VAL . 36331 1 7 7 ASP . 36331 1 8 8 SER . 36331 1 9 9 PRO . 36331 1 10 10 ASP . 36331 1 11 11 SER . 36331 1 12 12 VAL . 36331 1 13 13 GLU . 36331 1 14 14 LYS . 36331 1 15 15 ILE . 36331 1 16 16 ALA . 36331 1 17 17 ARG . 36331 1 18 18 GLU . 36331 1 19 19 LEU . 36331 1 20 20 GLY . 36331 1 21 21 LEU . 36331 1 22 22 SER . 36331 1 23 23 GLU . 36331 1 24 24 GLU . 36331 1 25 25 GLN . 36331 1 26 26 LEU . 36331 1 27 27 ARG . 36331 1 28 28 ARG . 36331 1 29 29 ILE . 36331 1 30 30 GLN . 36331 1 31 31 LYS . 36331 1 32 32 GLU . 36331 1 33 33 PHE . 36331 1 34 34 GLU . 36331 1 35 35 ARG . 36331 1 36 36 ALA . 36331 1 37 37 GLU . 36331 1 38 38 ARG . 36331 1 39 39 LYS . 36331 1 40 40 GLY . 36331 1 41 41 LYS . 36331 1 42 42 LEU . 36331 1 43 43 VAL . 36331 1 44 44 ILE . 36331 1 45 45 VAL . 36331 1 46 46 TYR . 36331 1 47 47 LEU . 36331 1 48 48 THR . 36331 1 49 49 SER . 36331 1 50 50 ASP . 36331 1 51 51 GLY . 36331 1 52 52 LYS . 36331 1 53 53 VAL . 36331 1 54 54 GLU . 36331 1 55 55 ILE . 36331 1 56 56 ARG . 36331 1 57 57 GLU . 36331 1 58 58 VAL . 36331 1 59 59 THR . 36331 1 60 60 SER . 36331 1 61 61 GLU . 36331 1 62 62 GLU . 36331 1 63 63 GLU . 36331 1 64 64 LEU . 36331 1 65 65 GLU . 36331 1 66 66 LYS . 36331 1 67 67 ILE . 36331 1 68 68 LEU . 36331 1 69 69 LYS . 36331 1 70 70 LYS . 36331 1 71 71 LEU . 36331 1 72 72 GLY . 36331 1 73 73 VAL . 36331 1 74 74 ASP . 36331 1 75 75 GLU . 36331 1 76 76 GLU . 36331 1 77 77 ILE . 36331 1 78 78 ILE . 36331 1 79 79 ARG . 36331 1 80 80 ARG . 36331 1 81 81 ILE . 36331 1 82 82 LYS . 36331 1 83 83 ARG . 36331 1 84 84 LEU . 36331 1 85 85 ARG . 36331 1 86 86 LYS . 36331 1 87 87 GLU . 36331 1 88 88 GLY . 36331 1 89 89 GLN . 36331 1 90 90 ILE . 36331 1 91 91 LYS . 36331 1 92 92 LEU . 36331 1 93 93 VAL . 36331 1 94 94 ILE . 36331 1 95 95 ILE . 36331 1 96 96 GLU . 36331 1 97 97 GLY . 36331 1 98 98 SER . 36331 1 99 99 LEU . 36331 1 100 100 GLU . 36331 1 101 101 HIS . 36331 1 102 102 HIS . 36331 1 103 103 HIS . 36331 1 104 104 HIS . 36331 1 105 105 HIS . 36331 1 106 106 HIS . 36331 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 36331 1 . LYS 2 2 36331 1 . LEU 3 3 36331 1 . TYR 4 4 36331 1 . GLU 5 5 36331 1 . VAL 6 6 36331 1 . ASP 7 7 36331 1 . SER 8 8 36331 1 . PRO 9 9 36331 1 . ASP 10 10 36331 1 . SER 11 11 36331 1 . VAL 12 12 36331 1 . GLU 13 13 36331 1 . LYS 14 14 36331 1 . ILE 15 15 36331 1 . ALA 16 16 36331 1 . ARG 17 17 36331 1 . GLU 18 18 36331 1 . LEU 19 19 36331 1 . GLY 20 20 36331 1 . LEU 21 21 36331 1 . SER 22 22 36331 1 . GLU 23 23 36331 1 . GLU 24 24 36331 1 . GLN 25 25 36331 1 . LEU 26 26 36331 1 . ARG 27 27 36331 1 . ARG 28 28 36331 1 . ILE 29 29 36331 1 . GLN 30 30 36331 1 . LYS 31 31 36331 1 . GLU 32 32 36331 1 . PHE 33 33 36331 1 . GLU 34 34 36331 1 . ARG 35 35 36331 1 . ALA 36 36 36331 1 . GLU 37 37 36331 1 . ARG 38 38 36331 1 . LYS 39 39 36331 1 . GLY 40 40 36331 1 . LYS 41 41 36331 1 . LEU 42 42 36331 1 . VAL 43 43 36331 1 . ILE 44 44 36331 1 . VAL 45 45 36331 1 . TYR 46 46 36331 1 . LEU 47 47 36331 1 . THR 48 48 36331 1 . SER 49 49 36331 1 . ASP 50 50 36331 1 . GLY 51 51 36331 1 . LYS 52 52 36331 1 . VAL 53 53 36331 1 . GLU 54 54 36331 1 . ILE 55 55 36331 1 . ARG 56 56 36331 1 . GLU 57 57 36331 1 . VAL 58 58 36331 1 . THR 59 59 36331 1 . SER 60 60 36331 1 . GLU 61 61 36331 1 . GLU 62 62 36331 1 . GLU 63 63 36331 1 . LEU 64 64 36331 1 . GLU 65 65 36331 1 . LYS 66 66 36331 1 . ILE 67 67 36331 1 . LEU 68 68 36331 1 . LYS 69 69 36331 1 . LYS 70 70 36331 1 . LEU 71 71 36331 1 . GLY 72 72 36331 1 . VAL 73 73 36331 1 . ASP 74 74 36331 1 . GLU 75 75 36331 1 . GLU 76 76 36331 1 . ILE 77 77 36331 1 . ILE 78 78 36331 1 . ARG 79 79 36331 1 . ARG 80 80 36331 1 . ILE 81 81 36331 1 . LYS 82 82 36331 1 . ARG 83 83 36331 1 . LEU 84 84 36331 1 . ARG 85 85 36331 1 . LYS 86 86 36331 1 . GLU 87 87 36331 1 . GLY 88 88 36331 1 . GLN 89 89 36331 1 . ILE 90 90 36331 1 . LYS 91 91 36331 1 . LEU 92 92 36331 1 . VAL 93 93 36331 1 . ILE 94 94 36331 1 . ILE 95 95 36331 1 . GLU 96 96 36331 1 . GLY 97 97 36331 1 . SER 98 98 36331 1 . LEU 99 99 36331 1 . GLU 100 100 36331 1 . HIS 101 101 36331 1 . HIS 102 102 36331 1 . HIS 103 103 36331 1 . HIS 104 104 36331 1 . HIS 105 105 36331 1 . HIS 106 106 36331 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 36331 _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 . . . . . . . . . . . . . 36331 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 36331 _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 . . . . . . . . . . 36331 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36331 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7 mM [U-100% 13C; U-100% 15N] NF6, 7.4 mM potassium phosphate, 1.1 mM sodium phosphate, 50 mM sodium chloride, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NF6 '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 0.7 . . mM . . . . 36331 1 2 'potassium phosphate' 'natural abundance' . . . . . . 7.4 . . mM . . . . 36331 1 3 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 36331 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 1.1 . . mM . . . . 36331 1 5 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36331 1 6 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36331 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36331 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.2 mM [U-100% 13C; U-100% 15N] NF6, 7.4 mM potassium phosphate, 1.1 mM sodium phosphate, 50 mM sodium chloride, 8 mg/mL Pf1 phage, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NF6 '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 0.2 . . mM . . . . 36331 2 2 'Pf1 phage' 'natural abundance' . . . . . . 8 . . mg/mL . . . . 36331 2 3 'potassium phosphate' 'natural abundance' . . . . . . 7.4 . . mM . . . . 36331 2 4 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 36331 2 5 'sodium phosphate' 'natural abundance' . . . . . buffer 1.1 . . mM . . . . 36331 2 6 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36331 2 7 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36331 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 36331 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 58.5 . mM 36331 1 pH 6.0 . pH 36331 1 pressure 1 . atm 36331 1 temperature 303 . K 36331 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36331 _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' . . 36331 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36331 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36331 _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' . . 36331 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36331 2 'structure calculation' . 36331 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36331 _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 'Kobayashi, N.' . . 36331 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36331 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36331 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _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' . . 36331 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36331 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36331 _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' . . 36331 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36331 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 36331 _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' . . 36331 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36331 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 36331 _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' . . 36331 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 36331 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 36331 _Software.ID 8 _Software.Type . _Software.Name qMDD _Software.Version 2.6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Orekhov, V. Jaravine, M. Mayzel, K. Kazimierczuk' . . 36331 8 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36331 8 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 36331 _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 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36331 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 36331 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 36331 _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' . 600 . . . 36331 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 700 . . . 36331 1 3 NMR_spectrometer_3 Bruker 'AVANCE III' . 900 . . . 36331 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 36331 _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 . . . . . . . . . . . . . . . . . 36331 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36331 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36331 1 4 '3D BEST-HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36331 1 5 '3D BEST-HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36331 1 6 '3D BEST-HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36331 1 7 '3D HCCH-TOCSY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36331 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36331 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36331 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36331 1 11 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36331 1 12 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36331 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 36331 _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 . . . . . 36331 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36331 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36331 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 36331 _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 36331 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 36331 1 3 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 36331 1 4 '3D BEST-HNCO' 1 $sample_1 isotropic 36331 1 5 '3D BEST-HNCACB' 1 $sample_1 isotropic 36331 1 6 '3D BEST-HN(CO)CACB' 1 $sample_1 isotropic 36331 1 7 '3D HCCH-TOCSY aliphatic' 1 $sample_1 isotropic 36331 1 8 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36331 1 9 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36331 1 10 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 36331 1 11 '2D 1H-15N HSQC IPAP' 1 $sample_1 isotropic 36331 1 12 '2D 1H-15N HSQC IPAP' 2 $sample_2 anisotropic 36331 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.891 0.030 . 1 . . . . A 1 GLY HA2 . 36331 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.891 0.030 . 1 . . . . A 1 GLY HA3 . 36331 1 3 . 1 . 1 1 1 GLY H1 H 1 8.677 0.030 . 1 . . . . A 1 GLY H1 . 36331 1 4 . 1 . 1 1 1 GLY C C 13 179.664 0.300 . 1 . . . . A 1 GLY C . 36331 1 5 . 1 . 1 1 1 GLY CA C 13 43.703 0.300 . 1 . . . . A 1 GLY CA . 36331 1 6 . 1 . 1 2 2 LYS H H 1 8.667 0.030 . 1 . . . . A 2 LYS H . 36331 1 7 . 1 . 1 2 2 LYS HA H 1 4.356 0.030 . 1 . . . . A 2 LYS HA . 36331 1 8 . 1 . 1 2 2 LYS HB2 H 1 1.602 0.030 . 2 . . . . A 2 LYS HB2 . 36331 1 9 . 1 . 1 2 2 LYS HB3 H 1 1.636 0.030 . 2 . . . . A 2 LYS HB3 . 36331 1 10 . 1 . 1 2 2 LYS HG2 H 1 1.103 0.030 . 1 . . . . A 2 LYS HG2 . 36331 1 11 . 1 . 1 2 2 LYS HG3 H 1 1.103 0.030 . 1 . . . . A 2 LYS HG3 . 36331 1 12 . 1 . 1 2 2 LYS HD2 H 1 1.103 0.030 . 1 . . . . A 2 LYS HD2 . 36331 1 13 . 1 . 1 2 2 LYS HD3 H 1 1.103 0.030 . 1 . . . . A 2 LYS HD3 . 36331 1 14 . 1 . 1 2 2 LYS HE2 H 1 2.788 0.030 . 1 . . . . A 2 LYS HE2 . 36331 1 15 . 1 . 1 2 2 LYS HE3 H 1 2.788 0.030 . 1 . . . . A 2 LYS HE3 . 36331 1 16 . 1 . 1 2 2 LYS C C 13 173.384 0.300 . 1 . . . . A 2 LYS C . 36331 1 17 . 1 . 1 2 2 LYS CA C 13 56.434 0.300 . 1 . . . . A 2 LYS CA . 36331 1 18 . 1 . 1 2 2 LYS CB C 13 35.314 0.300 . 1 . . . . A 2 LYS CB . 36331 1 19 . 1 . 1 2 2 LYS CG C 13 25.170 0.300 . 1 . . . . A 2 LYS CG . 36331 1 20 . 1 . 1 2 2 LYS CE C 13 42.165 0.300 . 1 . . . . A 2 LYS CE . 36331 1 21 . 1 . 1 2 2 LYS N N 15 121.346 0.300 . 1 . . . . A 2 LYS N . 36331 1 22 . 1 . 1 3 3 LEU H H 1 8.025 0.030 . 1 . . . . A 3 LEU H . 36331 1 23 . 1 . 1 3 3 LEU HA H 1 5.086 0.030 . 1 . . . . A 3 LEU HA . 36331 1 24 . 1 . 1 3 3 LEU HB2 H 1 1.404 0.030 . 2 . . . . A 3 LEU HB2 . 36331 1 25 . 1 . 1 3 3 LEU HB3 H 1 1.603 0.030 . 2 . . . . A 3 LEU HB3 . 36331 1 26 . 1 . 1 3 3 LEU HG H 1 0.779 0.030 . 1 . . . . A 3 LEU HG . 36331 1 27 . 1 . 1 3 3 LEU HD11 H 1 0.776 0.030 . 2 . . . . A 3 LEU HD11 . 36331 1 28 . 1 . 1 3 3 LEU HD12 H 1 0.776 0.030 . 2 . . . . A 3 LEU HD12 . 36331 1 29 . 1 . 1 3 3 LEU HD13 H 1 0.776 0.030 . 2 . . . . A 3 LEU HD13 . 36331 1 30 . 1 . 1 3 3 LEU HD21 H 1 0.794 0.030 . 2 . . . . A 3 LEU HD21 . 36331 1 31 . 1 . 1 3 3 LEU HD22 H 1 0.794 0.030 . 2 . . . . A 3 LEU HD22 . 36331 1 32 . 1 . 1 3 3 LEU HD23 H 1 0.794 0.030 . 2 . . . . A 3 LEU HD23 . 36331 1 33 . 1 . 1 3 3 LEU C C 13 175.277 0.300 . 1 . . . . A 3 LEU C . 36331 1 34 . 1 . 1 3 3 LEU CA C 13 54.224 0.300 . 1 . . . . A 3 LEU CA . 36331 1 35 . 1 . 1 3 3 LEU CB C 13 44.703 0.300 . 1 . . . . A 3 LEU CB . 36331 1 36 . 1 . 1 3 3 LEU CD1 C 13 26.162 0.300 . 2 . . . . A 3 LEU CD1 . 36331 1 37 . 1 . 1 3 3 LEU CD2 C 13 26.776 0.300 . 2 . . . . A 3 LEU CD2 . 36331 1 38 . 1 . 1 3 3 LEU N N 15 123.425 0.300 . 1 . . . . A 3 LEU N . 36331 1 39 . 1 . 1 4 4 TYR H H 1 9.655 0.030 . 1 . . . . A 4 TYR H . 36331 1 40 . 1 . 1 4 4 TYR HA H 1 4.691 0.030 . 1 . . . . A 4 TYR HA . 36331 1 41 . 1 . 1 4 4 TYR HB2 H 1 2.782 0.030 . 2 . . . . A 4 TYR HB2 . 36331 1 42 . 1 . 1 4 4 TYR HB3 H 1 2.819 0.030 . 2 . . . . A 4 TYR HB3 . 36331 1 43 . 1 . 1 4 4 TYR HD1 H 1 7.021 0.030 . 1 . . . . A 4 TYR HD1 . 36331 1 44 . 1 . 1 4 4 TYR HD2 H 1 7.021 0.030 . 1 . . . . A 4 TYR HD2 . 36331 1 45 . 1 . 1 4 4 TYR HE1 H 1 6.677 0.030 . 1 . . . . A 4 TYR HE1 . 36331 1 46 . 1 . 1 4 4 TYR HE2 H 1 6.677 0.030 . 1 . . . . A 4 TYR HE2 . 36331 1 47 . 1 . 1 4 4 TYR C C 13 174.974 0.300 . 1 . . . . A 4 TYR C . 36331 1 48 . 1 . 1 4 4 TYR CA C 13 57.024 0.300 . 1 . . . . A 4 TYR CA . 36331 1 49 . 1 . 1 4 4 TYR CB C 13 40.545 0.300 . 1 . . . . A 4 TYR CB . 36331 1 50 . 1 . 1 4 4 TYR CD1 C 13 133.600 0.300 . 1 . . . . A 4 TYR CD1 . 36331 1 51 . 1 . 1 4 4 TYR CD2 C 13 133.600 0.300 . 1 . . . . A 4 TYR CD2 . 36331 1 52 . 1 . 1 4 4 TYR CE1 C 13 117.800 0.300 . 1 . . . . A 4 TYR CE1 . 36331 1 53 . 1 . 1 4 4 TYR CE2 C 13 117.800 0.300 . 1 . . . . A 4 TYR CE2 . 36331 1 54 . 1 . 1 4 4 TYR N N 15 124.932 0.300 . 1 . . . . A 4 TYR N . 36331 1 55 . 1 . 1 5 5 GLU H H 1 8.896 0.030 . 1 . . . . A 5 GLU H . 36331 1 56 . 1 . 1 5 5 GLU HA H 1 4.311 0.030 . 1 . . . . A 5 GLU HA . 36331 1 57 . 1 . 1 5 5 GLU HB2 H 1 1.441 0.030 . 1 . . . . A 5 GLU HB2 . 36331 1 58 . 1 . 1 5 5 GLU HB3 H 1 1.441 0.030 . 1 . . . . A 5 GLU HB3 . 36331 1 59 . 1 . 1 5 5 GLU HG2 H 1 1.795 0.030 . 1 . . . . A 5 GLU HG2 . 36331 1 60 . 1 . 1 5 5 GLU HG3 H 1 1.795 0.030 . 1 . . . . A 5 GLU HG3 . 36331 1 61 . 1 . 1 5 5 GLU C C 13 175.829 0.300 . 1 . . . . A 5 GLU C . 36331 1 62 . 1 . 1 5 5 GLU CA C 13 56.129 0.300 . 1 . . . . A 5 GLU CA . 36331 1 63 . 1 . 1 5 5 GLU CB C 13 30.426 0.300 . 1 . . . . A 5 GLU CB . 36331 1 64 . 1 . 1 5 5 GLU CG C 13 38.975 0.300 . 1 . . . . A 5 GLU CG . 36331 1 65 . 1 . 1 5 5 GLU N N 15 124.100 0.300 . 1 . . . . A 5 GLU N . 36331 1 66 . 1 . 1 6 6 VAL H H 1 8.102 0.030 . 1 . . . . A 6 VAL H . 36331 1 67 . 1 . 1 6 6 VAL HA H 1 4.298 0.030 . 1 . . . . A 6 VAL HA . 36331 1 68 . 1 . 1 6 6 VAL HB H 1 2.185 0.030 . 1 . . . . A 6 VAL HB . 36331 1 69 . 1 . 1 6 6 VAL HG11 H 1 0.700 0.030 . 2 . . . . A 6 VAL HG11 . 36331 1 70 . 1 . 1 6 6 VAL HG12 H 1 0.700 0.030 . 2 . . . . A 6 VAL HG12 . 36331 1 71 . 1 . 1 6 6 VAL HG13 H 1 0.700 0.030 . 2 . . . . A 6 VAL HG13 . 36331 1 72 . 1 . 1 6 6 VAL HG21 H 1 0.798 0.030 . 2 . . . . A 6 VAL HG21 . 36331 1 73 . 1 . 1 6 6 VAL HG22 H 1 0.798 0.030 . 2 . . . . A 6 VAL HG22 . 36331 1 74 . 1 . 1 6 6 VAL HG23 H 1 0.798 0.030 . 2 . . . . A 6 VAL HG23 . 36331 1 75 . 1 . 1 6 6 VAL CA C 13 62.681 0.300 . 1 . . . . A 6 VAL CA . 36331 1 76 . 1 . 1 6 6 VAL CB C 13 32.785 0.300 . 1 . . . . A 6 VAL CB . 36331 1 77 . 1 . 1 6 6 VAL CG1 C 13 21.128 0.300 . 2 . . . . A 6 VAL CG1 . 36331 1 78 . 1 . 1 6 6 VAL CG2 C 13 23.472 0.300 . 2 . . . . A 6 VAL CG2 . 36331 1 79 . 1 . 1 6 6 VAL N N 15 122.278 0.300 . 1 . . . . A 6 VAL N . 36331 1 80 . 1 . 1 7 7 ASP HA H 1 4.886 0.030 . 1 . . . . A 7 ASP HA . 36331 1 81 . 1 . 1 7 7 ASP HB2 H 1 2.606 0.030 . 2 . . . . A 7 ASP HB2 . 36331 1 82 . 1 . 1 7 7 ASP HB3 H 1 2.920 0.030 . 2 . . . . A 7 ASP HB3 . 36331 1 83 . 1 . 1 7 7 ASP C C 13 175.103 0.300 . 1 . . . . A 7 ASP C . 36331 1 84 . 1 . 1 7 7 ASP CA C 13 53.970 0.300 . 1 . . . . A 7 ASP CA . 36331 1 85 . 1 . 1 7 7 ASP CB C 13 42.445 0.300 . 1 . . . . A 7 ASP CB . 36331 1 86 . 1 . 1 8 8 SER H H 1 7.482 0.030 . 1 . . . . A 8 SER H . 36331 1 87 . 1 . 1 8 8 SER HA H 1 4.958 0.030 . 1 . . . . A 8 SER HA . 36331 1 88 . 1 . 1 8 8 SER HB2 H 1 3.921 0.030 . 2 . . . . A 8 SER HB2 . 36331 1 89 . 1 . 1 8 8 SER HB3 H 1 4.123 0.030 . 2 . . . . A 8 SER HB3 . 36331 1 90 . 1 . 1 8 8 SER CA C 13 56.198 0.300 . 1 . . . . A 8 SER CA . 36331 1 91 . 1 . 1 8 8 SER CB C 13 64.248 0.300 . 1 . . . . A 8 SER CB . 36331 1 92 . 1 . 1 8 8 SER N N 15 113.498 0.300 . 1 . . . . A 8 SER N . 36331 1 93 . 1 . 1 9 9 PRO HA H 1 3.731 0.030 . 1 . . . . A 9 PRO HA . 36331 1 94 . 1 . 1 9 9 PRO HB2 H 1 1.944 0.030 . 2 . . . . A 9 PRO HB2 . 36331 1 95 . 1 . 1 9 9 PRO HB3 H 1 2.201 0.030 . 2 . . . . A 9 PRO HB3 . 36331 1 96 . 1 . 1 9 9 PRO HG2 H 1 1.943 0.030 . 2 . . . . A 9 PRO HG2 . 36331 1 97 . 1 . 1 9 9 PRO HG3 H 1 2.133 0.030 . 2 . . . . A 9 PRO HG3 . 36331 1 98 . 1 . 1 9 9 PRO HD2 H 1 3.729 0.030 . 2 . . . . A 9 PRO HD2 . 36331 1 99 . 1 . 1 9 9 PRO HD3 H 1 3.912 0.030 . 2 . . . . A 9 PRO HD3 . 36331 1 100 . 1 . 1 9 9 PRO C C 13 179.153 0.300 . 1 . . . . A 9 PRO C . 36331 1 101 . 1 . 1 9 9 PRO CA C 13 64.969 0.300 . 1 . . . . A 9 PRO CA . 36331 1 102 . 1 . 1 9 9 PRO CB C 13 31.608 0.300 . 1 . . . . A 9 PRO CB . 36331 1 103 . 1 . 1 9 9 PRO CG C 13 27.707 0.300 . 1 . . . . A 9 PRO CG . 36331 1 104 . 1 . 1 9 9 PRO CD C 13 50.801 0.300 . 1 . . . . A 9 PRO CD . 36331 1 105 . 1 . 1 10 10 ASP H H 1 8.118 0.030 . 1 . . . . A 10 ASP H . 36331 1 106 . 1 . 1 10 10 ASP HA H 1 4.342 0.030 . 1 . . . . A 10 ASP HA . 36331 1 107 . 1 . 1 10 10 ASP HB2 H 1 2.583 0.030 . 1 . . . . A 10 ASP HB2 . 36331 1 108 . 1 . 1 10 10 ASP HB3 H 1 2.583 0.030 . 1 . . . . A 10 ASP HB3 . 36331 1 109 . 1 . 1 10 10 ASP C C 13 178.322 0.300 . 1 . . . . A 10 ASP C . 36331 1 110 . 1 . 1 10 10 ASP CA C 13 56.593 0.300 . 1 . . . . A 10 ASP CA . 36331 1 111 . 1 . 1 10 10 ASP CB C 13 40.318 0.300 . 1 . . . . A 10 ASP CB . 36331 1 112 . 1 . 1 10 10 ASP N N 15 117.316 0.300 . 1 . . . . A 10 ASP N . 36331 1 113 . 1 . 1 11 11 SER H H 1 7.772 0.030 . 1 . . . . A 11 SER H . 36331 1 114 . 1 . 1 11 11 SER HA H 1 4.249 0.030 . 1 . . . . A 11 SER HA . 36331 1 115 . 1 . 1 11 11 SER HB2 H 1 4.076 0.030 . 1 . . . . A 11 SER HB2 . 36331 1 116 . 1 . 1 11 11 SER HB3 H 1 4.076 0.030 . 1 . . . . A 11 SER HB3 . 36331 1 117 . 1 . 1 11 11 SER C C 13 175.690 0.300 . 1 . . . . A 11 SER C . 36331 1 118 . 1 . 1 11 11 SER CA C 13 61.156 0.300 . 1 . . . . A 11 SER CA . 36331 1 119 . 1 . 1 11 11 SER CB C 13 63.313 0.300 . 1 . . . . A 11 SER CB . 36331 1 120 . 1 . 1 11 11 SER N N 15 115.646 0.300 . 1 . . . . A 11 SER N . 36331 1 121 . 1 . 1 12 12 VAL H H 1 7.213 0.030 . 1 . . . . A 12 VAL H . 36331 1 122 . 1 . 1 12 12 VAL HA H 1 3.196 0.030 . 1 . . . . A 12 VAL HA . 36331 1 123 . 1 . 1 12 12 VAL HB H 1 2.120 0.030 . 1 . . . . A 12 VAL HB . 36331 1 124 . 1 . 1 12 12 VAL HG11 H 1 0.733 0.030 . 2 . . . . A 12 VAL HG11 . 36331 1 125 . 1 . 1 12 12 VAL HG12 H 1 0.733 0.030 . 2 . . . . A 12 VAL HG12 . 36331 1 126 . 1 . 1 12 12 VAL HG13 H 1 0.733 0.030 . 2 . . . . A 12 VAL HG13 . 36331 1 127 . 1 . 1 12 12 VAL HG21 H 1 0.727 0.030 . 2 . . . . A 12 VAL HG21 . 36331 1 128 . 1 . 1 12 12 VAL HG22 H 1 0.727 0.030 . 2 . . . . A 12 VAL HG22 . 36331 1 129 . 1 . 1 12 12 VAL HG23 H 1 0.727 0.030 . 2 . . . . A 12 VAL HG23 . 36331 1 130 . 1 . 1 12 12 VAL C C 13 176.612 0.300 . 1 . . . . A 12 VAL C . 36331 1 131 . 1 . 1 12 12 VAL CA C 13 66.922 0.300 . 1 . . . . A 12 VAL CA . 36331 1 132 . 1 . 1 12 12 VAL CB C 13 31.127 0.300 . 1 . . . . A 12 VAL CB . 36331 1 133 . 1 . 1 12 12 VAL CG1 C 13 23.837 0.300 . 2 . . . . A 12 VAL CG1 . 36331 1 134 . 1 . 1 12 12 VAL CG2 C 13 22.152 0.300 . 2 . . . . A 12 VAL CG2 . 36331 1 135 . 1 . 1 12 12 VAL N N 15 119.432 0.300 . 1 . . . . A 12 VAL N . 36331 1 136 . 1 . 1 13 13 GLU H H 1 7.469 0.030 . 1 . . . . A 13 GLU H . 36331 1 137 . 1 . 1 13 13 GLU HA H 1 3.743 0.030 . 1 . . . . A 13 GLU HA . 36331 1 138 . 1 . 1 13 13 GLU HB2 H 1 2.041 0.030 . 1 . . . . A 13 GLU HB2 . 36331 1 139 . 1 . 1 13 13 GLU HB3 H 1 2.041 0.030 . 1 . . . . A 13 GLU HB3 . 36331 1 140 . 1 . 1 13 13 GLU HG2 H 1 2.144 0.030 . 2 . . . . A 13 GLU HG2 . 36331 1 141 . 1 . 1 13 13 GLU HG3 H 1 2.262 0.030 . 2 . . . . A 13 GLU HG3 . 36331 1 142 . 1 . 1 13 13 GLU C C 13 178.067 0.300 . 1 . . . . A 13 GLU C . 36331 1 143 . 1 . 1 13 13 GLU CA C 13 59.947 0.300 . 1 . . . . A 13 GLU CA . 36331 1 144 . 1 . 1 13 13 GLU CB C 13 29.287 0.300 . 1 . . . . A 13 GLU CB . 36331 1 145 . 1 . 1 13 13 GLU CG C 13 36.323 0.300 . 1 . . . . A 13 GLU CG . 36331 1 146 . 1 . 1 13 13 GLU N N 15 117.468 0.300 . 1 . . . . A 13 GLU N . 36331 1 147 . 1 . 1 14 14 LYS H H 1 7.487 0.030 . 1 . . . . A 14 LYS H . 36331 1 148 . 1 . 1 14 14 LYS HA H 1 3.915 0.030 . 1 . . . . A 14 LYS HA . 36331 1 149 . 1 . 1 14 14 LYS HB2 H 1 1.885 0.030 . 1 . . . . A 14 LYS HB2 . 36331 1 150 . 1 . 1 14 14 LYS HB3 H 1 1.885 0.030 . 1 . . . . A 14 LYS HB3 . 36331 1 151 . 1 . 1 14 14 LYS HG2 H 1 1.521 0.030 . 1 . . . . A 14 LYS HG2 . 36331 1 152 . 1 . 1 14 14 LYS HG3 H 1 1.521 0.030 . 1 . . . . A 14 LYS HG3 . 36331 1 153 . 1 . 1 14 14 LYS HD2 H 1 1.885 0.030 . 1 . . . . A 14 LYS HD2 . 36331 1 154 . 1 . 1 14 14 LYS HD3 H 1 1.885 0.030 . 1 . . . . A 14 LYS HD3 . 36331 1 155 . 1 . 1 14 14 LYS HE2 H 1 2.934 0.030 . 1 . . . . A 14 LYS HE2 . 36331 1 156 . 1 . 1 14 14 LYS HE3 H 1 2.934 0.030 . 1 . . . . A 14 LYS HE3 . 36331 1 157 . 1 . 1 14 14 LYS C C 13 179.389 0.300 . 1 . . . . A 14 LYS C . 36331 1 158 . 1 . 1 14 14 LYS CA C 13 59.774 0.300 . 1 . . . . A 14 LYS CA . 36331 1 159 . 1 . 1 14 14 LYS CB C 13 32.772 0.300 . 1 . . . . A 14 LYS CB . 36331 1 160 . 1 . 1 14 14 LYS CG C 13 25.197 0.300 . 1 . . . . A 14 LYS CG . 36331 1 161 . 1 . 1 14 14 LYS CD C 13 32.778 0.300 . 1 . . . . A 14 LYS CD . 36331 1 162 . 1 . 1 14 14 LYS CE C 13 42.117 0.300 . 1 . . . . A 14 LYS CE . 36331 1 163 . 1 . 1 14 14 LYS N N 15 118.290 0.300 . 1 . . . . A 14 LYS N . 36331 1 164 . 1 . 1 15 15 ILE H H 1 7.945 0.030 . 1 . . . . A 15 ILE H . 36331 1 165 . 1 . 1 15 15 ILE HA H 1 3.508 0.030 . 1 . . . . A 15 ILE HA . 36331 1 166 . 1 . 1 15 15 ILE HB H 1 1.488 0.030 . 1 . . . . A 15 ILE HB . 36331 1 167 . 1 . 1 15 15 ILE HG12 H 1 0.802 0.030 . 2 . . . . A 15 ILE HG12 . 36331 1 168 . 1 . 1 15 15 ILE HG13 H 1 1.520 0.030 . 2 . . . . A 15 ILE HG13 . 36331 1 169 . 1 . 1 15 15 ILE HG21 H 1 0.215 0.030 . 1 . . . . A 15 ILE HG21 . 36331 1 170 . 1 . 1 15 15 ILE HG22 H 1 0.215 0.030 . 1 . . . . A 15 ILE HG22 . 36331 1 171 . 1 . 1 15 15 ILE HG23 H 1 0.215 0.030 . 1 . . . . A 15 ILE HG23 . 36331 1 172 . 1 . 1 15 15 ILE HD11 H 1 0.620 0.030 . 1 . . . . A 15 ILE HD11 . 36331 1 173 . 1 . 1 15 15 ILE HD12 H 1 0.620 0.030 . 1 . . . . A 15 ILE HD12 . 36331 1 174 . 1 . 1 15 15 ILE HD13 H 1 0.620 0.030 . 1 . . . . A 15 ILE HD13 . 36331 1 175 . 1 . 1 15 15 ILE C C 13 177.279 0.300 . 1 . . . . A 15 ILE C . 36331 1 176 . 1 . 1 15 15 ILE CA C 13 64.164 0.300 . 1 . . . . A 15 ILE CA . 36331 1 177 . 1 . 1 15 15 ILE CB C 13 38.143 0.300 . 1 . . . . A 15 ILE CB . 36331 1 178 . 1 . 1 15 15 ILE CG1 C 13 29.005 0.300 . 1 . . . . A 15 ILE CG1 . 36331 1 179 . 1 . 1 15 15 ILE CG2 C 13 17.132 0.300 . 1 . . . . A 15 ILE CG2 . 36331 1 180 . 1 . 1 15 15 ILE CD1 C 13 15.186 0.300 . 1 . . . . A 15 ILE CD1 . 36331 1 181 . 1 . 1 15 15 ILE N N 15 120.243 0.300 . 1 . . . . A 15 ILE N . 36331 1 182 . 1 . 1 16 16 ALA H H 1 8.378 0.030 . 1 . . . . A 16 ALA H . 36331 1 183 . 1 . 1 16 16 ALA HA H 1 3.671 0.030 . 1 . . . . A 16 ALA HA . 36331 1 184 . 1 . 1 16 16 ALA HB1 H 1 1.396 0.030 . 1 . . . . A 16 ALA HB1 . 36331 1 185 . 1 . 1 16 16 ALA HB2 H 1 1.396 0.030 . 1 . . . . A 16 ALA HB2 . 36331 1 186 . 1 . 1 16 16 ALA HB3 H 1 1.396 0.030 . 1 . . . . A 16 ALA HB3 . 36331 1 187 . 1 . 1 16 16 ALA C C 13 179.634 0.300 . 1 . . . . A 16 ALA C . 36331 1 188 . 1 . 1 16 16 ALA CA C 13 55.398 0.300 . 1 . . . . A 16 ALA CA . 36331 1 189 . 1 . 1 16 16 ALA CB C 13 19.663 0.300 . 1 . . . . A 16 ALA CB . 36331 1 190 . 1 . 1 16 16 ALA N N 15 120.695 0.300 . 1 . . . . A 16 ALA N . 36331 1 191 . 1 . 1 17 17 ARG H H 1 7.786 0.030 . 1 . . . . A 17 ARG H . 36331 1 192 . 1 . 1 17 17 ARG HA H 1 4.126 0.030 . 1 . . . . A 17 ARG HA . 36331 1 193 . 1 . 1 17 17 ARG HG2 H 1 1.664 0.030 . 1 . . . . A 17 ARG HG2 . 36331 1 194 . 1 . 1 17 17 ARG HG3 H 1 1.664 0.030 . 1 . . . . A 17 ARG HG3 . 36331 1 195 . 1 . 1 17 17 ARG HD2 H 1 3.154 0.030 . 1 . . . . A 17 ARG HD2 . 36331 1 196 . 1 . 1 17 17 ARG HD3 H 1 3.154 0.030 . 1 . . . . A 17 ARG HD3 . 36331 1 197 . 1 . 1 17 17 ARG C C 13 179.602 0.300 . 1 . . . . A 17 ARG C . 36331 1 198 . 1 . 1 17 17 ARG CA C 13 58.947 0.300 . 1 . . . . A 17 ARG CA . 36331 1 199 . 1 . 1 17 17 ARG CB C 13 29.644 0.300 . 1 . . . . A 17 ARG CB . 36331 1 200 . 1 . 1 17 17 ARG CG C 13 27.508 0.300 . 1 . . . . A 17 ARG CG . 36331 1 201 . 1 . 1 17 17 ARG CD C 13 43.325 0.300 . 1 . . . . A 17 ARG CD . 36331 1 202 . 1 . 1 17 17 ARG N N 15 116.092 0.300 . 1 . . . . A 17 ARG N . 36331 1 203 . 1 . 1 18 18 GLU H H 1 7.803 0.030 . 1 . . . . A 18 GLU H . 36331 1 204 . 1 . 1 18 18 GLU HA H 1 3.987 0.030 . 1 . . . . A 18 GLU HA . 36331 1 205 . 1 . 1 18 18 GLU HB2 H 1 2.058 0.030 . 1 . . . . A 18 GLU HB2 . 36331 1 206 . 1 . 1 18 18 GLU HB3 H 1 2.058 0.030 . 1 . . . . A 18 GLU HB3 . 36331 1 207 . 1 . 1 18 18 GLU C C 13 178.406 0.300 . 1 . . . . A 18 GLU C . 36331 1 208 . 1 . 1 18 18 GLU CA C 13 59.311 0.300 . 1 . . . . A 18 GLU CA . 36331 1 209 . 1 . 1 18 18 GLU CB C 13 29.406 0.300 . 1 . . . . A 18 GLU CB . 36331 1 210 . 1 . 1 18 18 GLU N N 15 121.584 0.300 . 1 . . . . A 18 GLU N . 36331 1 211 . 1 . 1 19 19 LEU H H 1 7.954 0.030 . 1 . . . . A 19 LEU H . 36331 1 212 . 1 . 1 19 19 LEU HA H 1 4.122 0.030 . 1 . . . . A 19 LEU HA . 36331 1 213 . 1 . 1 19 19 LEU HB2 H 1 1.395 0.030 . 1 . . . . A 19 LEU HB2 . 36331 1 214 . 1 . 1 19 19 LEU HB3 H 1 1.395 0.030 . 1 . . . . A 19 LEU HB3 . 36331 1 215 . 1 . 1 19 19 LEU HG H 1 1.520 0.030 . 1 . . . . A 19 LEU HG . 36331 1 216 . 1 . 1 19 19 LEU HD11 H 1 0.682 0.030 . 2 . . . . A 19 LEU HD11 . 36331 1 217 . 1 . 1 19 19 LEU HD12 H 1 0.682 0.030 . 2 . . . . A 19 LEU HD12 . 36331 1 218 . 1 . 1 19 19 LEU HD13 H 1 0.682 0.030 . 2 . . . . A 19 LEU HD13 . 36331 1 219 . 1 . 1 19 19 LEU HD21 H 1 0.409 0.030 . 2 . . . . A 19 LEU HD21 . 36331 1 220 . 1 . 1 19 19 LEU HD22 H 1 0.409 0.030 . 2 . . . . A 19 LEU HD22 . 36331 1 221 . 1 . 1 19 19 LEU HD23 H 1 0.409 0.030 . 2 . . . . A 19 LEU HD23 . 36331 1 222 . 1 . 1 19 19 LEU C C 13 177.130 0.300 . 1 . . . . A 19 LEU C . 36331 1 223 . 1 . 1 19 19 LEU CA C 13 54.916 0.300 . 1 . . . . A 19 LEU CA . 36331 1 224 . 1 . 1 19 19 LEU CB C 13 42.555 0.300 . 1 . . . . A 19 LEU CB . 36331 1 225 . 1 . 1 19 19 LEU CG C 13 26.363 0.300 . 1 . . . . A 19 LEU CG . 36331 1 226 . 1 . 1 19 19 LEU CD1 C 13 22.197 0.300 . 2 . . . . A 19 LEU CD1 . 36331 1 227 . 1 . 1 19 19 LEU CD2 C 13 25.563 0.300 . 2 . . . . A 19 LEU CD2 . 36331 1 228 . 1 . 1 19 19 LEU N N 15 115.490 0.300 . 1 . . . . A 19 LEU N . 36331 1 229 . 1 . 1 20 20 GLY H H 1 7.623 0.030 . 1 . . . . A 20 GLY H . 36331 1 230 . 1 . 1 20 20 GLY HA2 H 1 3.831 0.030 . 1 . . . . A 20 GLY HA2 . 36331 1 231 . 1 . 1 20 20 GLY HA3 H 1 3.831 0.030 . 1 . . . . A 20 GLY HA3 . 36331 1 232 . 1 . 1 20 20 GLY C C 13 175.442 0.300 . 1 . . . . A 20 GLY C . 36331 1 233 . 1 . 1 20 20 GLY CA C 13 46.471 0.300 . 1 . . . . A 20 GLY CA . 36331 1 234 . 1 . 1 20 20 GLY N N 15 108.404 0.300 . 1 . . . . A 20 GLY N . 36331 1 235 . 1 . 1 21 21 LEU H H 1 7.830 0.030 . 1 . . . . A 21 LEU H . 36331 1 236 . 1 . 1 21 21 LEU HA H 1 4.279 0.030 . 1 . . . . A 21 LEU HA . 36331 1 237 . 1 . 1 21 21 LEU HB2 H 1 1.475 0.030 . 2 . . . . A 21 LEU HB2 . 36331 1 238 . 1 . 1 21 21 LEU HB3 H 1 1.507 0.030 . 2 . . . . A 21 LEU HB3 . 36331 1 239 . 1 . 1 21 21 LEU HD11 H 1 0.575 0.030 . 2 . . . . A 21 LEU HD11 . 36331 1 240 . 1 . 1 21 21 LEU HD12 H 1 0.575 0.030 . 2 . . . . A 21 LEU HD12 . 36331 1 241 . 1 . 1 21 21 LEU HD13 H 1 0.575 0.030 . 2 . . . . A 21 LEU HD13 . 36331 1 242 . 1 . 1 21 21 LEU HD21 H 1 0.640 0.030 . 2 . . . . A 21 LEU HD21 . 36331 1 243 . 1 . 1 21 21 LEU HD22 H 1 0.640 0.030 . 2 . . . . A 21 LEU HD22 . 36331 1 244 . 1 . 1 21 21 LEU HD23 H 1 0.640 0.030 . 2 . . . . A 21 LEU HD23 . 36331 1 245 . 1 . 1 21 21 LEU C C 13 177.252 0.300 . 1 . . . . A 21 LEU C . 36331 1 246 . 1 . 1 21 21 LEU CA C 13 54.639 0.300 . 1 . . . . A 21 LEU CA . 36331 1 247 . 1 . 1 21 21 LEU CB C 13 41.337 0.300 . 1 . . . . A 21 LEU CB . 36331 1 248 . 1 . 1 21 21 LEU CD1 C 13 25.165 0.300 . 2 . . . . A 21 LEU CD1 . 36331 1 249 . 1 . 1 21 21 LEU CD2 C 13 22.241 0.300 . 2 . . . . A 21 LEU CD2 . 36331 1 250 . 1 . 1 21 21 LEU N N 15 116.966 0.300 . 1 . . . . A 21 LEU N . 36331 1 251 . 1 . 1 22 22 SER H H 1 8.748 0.030 . 1 . . . . A 22 SER H . 36331 1 252 . 1 . 1 22 22 SER HA H 1 4.425 0.030 . 1 . . . . A 22 SER HA . 36331 1 253 . 1 . 1 22 22 SER HB2 H 1 3.977 0.030 . 2 . . . . A 22 SER HB2 . 36331 1 254 . 1 . 1 22 22 SER HB3 H 1 4.396 0.030 . 2 . . . . A 22 SER HB3 . 36331 1 255 . 1 . 1 22 22 SER C C 13 174.734 0.300 . 1 . . . . A 22 SER C . 36331 1 256 . 1 . 1 22 22 SER CA C 13 56.994 0.300 . 1 . . . . A 22 SER CA . 36331 1 257 . 1 . 1 22 22 SER CB C 13 65.485 0.300 . 1 . . . . A 22 SER CB . 36331 1 258 . 1 . 1 22 22 SER N N 15 117.571 0.300 . 1 . . . . A 22 SER N . 36331 1 259 . 1 . 1 23 23 GLU H H 1 8.889 0.030 . 1 . . . . A 23 GLU H . 36331 1 260 . 1 . 1 23 23 GLU HA H 1 3.970 0.030 . 1 . . . . A 23 GLU HA . 36331 1 261 . 1 . 1 23 23 GLU HB2 H 1 1.913 0.030 . 2 . . . . A 23 GLU HB2 . 36331 1 262 . 1 . 1 23 23 GLU HB3 H 1 2.056 0.030 . 2 . . . . A 23 GLU HB3 . 36331 1 263 . 1 . 1 23 23 GLU HG2 H 1 2.284 0.030 . 1 . . . . A 23 GLU HG2 . 36331 1 264 . 1 . 1 23 23 GLU HG3 H 1 2.284 0.030 . 1 . . . . A 23 GLU HG3 . 36331 1 265 . 1 . 1 23 23 GLU C C 13 178.483 0.300 . 1 . . . . A 23 GLU C . 36331 1 266 . 1 . 1 23 23 GLU CA C 13 59.731 0.300 . 1 . . . . A 23 GLU CA . 36331 1 267 . 1 . 1 23 23 GLU CB C 13 29.363 0.300 . 1 . . . . A 23 GLU CB . 36331 1 268 . 1 . 1 23 23 GLU CG C 13 36.309 0.300 . 1 . . . . A 23 GLU CG . 36331 1 269 . 1 . 1 23 23 GLU N N 15 121.602 0.300 . 1 . . . . A 23 GLU N . 36331 1 270 . 1 . 1 24 24 GLU H H 1 8.440 0.030 . 1 . . . . A 24 GLU H . 36331 1 271 . 1 . 1 24 24 GLU HA H 1 3.962 0.030 . 1 . . . . A 24 GLU HA . 36331 1 272 . 1 . 1 24 24 GLU HG2 H 1 2.270 0.030 . 1 . . . . A 24 GLU HG2 . 36331 1 273 . 1 . 1 24 24 GLU HG3 H 1 2.270 0.030 . 1 . . . . A 24 GLU HG3 . 36331 1 274 . 1 . 1 24 24 GLU C C 13 179.596 0.300 . 1 . . . . A 24 GLU C . 36331 1 275 . 1 . 1 24 24 GLU CA C 13 59.618 0.300 . 1 . . . . A 24 GLU CA . 36331 1 276 . 1 . 1 24 24 GLU CB C 13 29.383 0.300 . 1 . . . . A 24 GLU CB . 36331 1 277 . 1 . 1 24 24 GLU N N 15 117.905 0.300 . 1 . . . . A 24 GLU N . 36331 1 278 . 1 . 1 25 25 GLN H H 1 7.640 0.030 . 1 . . . . A 25 GLN H . 36331 1 279 . 1 . 1 25 25 GLN HA H 1 3.971 0.030 . 1 . . . . A 25 GLN HA . 36331 1 280 . 1 . 1 25 25 GLN HB2 H 1 1.643 0.030 . 2 . . . . A 25 GLN HB2 . 36331 1 281 . 1 . 1 25 25 GLN HB3 H 1 2.366 0.030 . 2 . . . . A 25 GLN HB3 . 36331 1 282 . 1 . 1 25 25 GLN HG2 H 1 2.252 0.030 . 2 . . . . A 25 GLN HG2 . 36331 1 283 . 1 . 1 25 25 GLN HG3 H 1 2.507 0.030 . 2 . . . . A 25 GLN HG3 . 36331 1 284 . 1 . 1 25 25 GLN HE21 H 1 6.904 0.030 . 2 . . . . A 25 GLN HE21 . 36331 1 285 . 1 . 1 25 25 GLN HE22 H 1 7.202 0.030 . 2 . . . . A 25 GLN HE22 . 36331 1 286 . 1 . 1 25 25 GLN C C 13 177.874 0.300 . 1 . . . . A 25 GLN C . 36331 1 287 . 1 . 1 25 25 GLN CA C 13 59.089 0.300 . 1 . . . . A 25 GLN CA . 36331 1 288 . 1 . 1 25 25 GLN CB C 13 29.252 0.300 . 1 . . . . A 25 GLN CB . 36331 1 289 . 1 . 1 25 25 GLN CG C 13 34.341 0.300 . 1 . . . . A 25 GLN CG . 36331 1 290 . 1 . 1 25 25 GLN N N 15 119.410 0.300 . 1 . . . . A 25 GLN N . 36331 1 291 . 1 . 1 25 25 GLN NE2 N 15 110.994 0.300 . 1 . . . . A 25 GLN NE2 . 36331 1 292 . 1 . 1 26 26 LEU H H 1 8.453 0.030 . 1 . . . . A 26 LEU H . 36331 1 293 . 1 . 1 26 26 LEU HA H 1 3.716 0.030 . 1 . . . . A 26 LEU HA . 36331 1 294 . 1 . 1 26 26 LEU HB2 H 1 1.303 0.030 . 2 . . . . A 26 LEU HB2 . 36331 1 295 . 1 . 1 26 26 LEU HB3 H 1 2.017 0.030 . 2 . . . . A 26 LEU HB3 . 36331 1 296 . 1 . 1 26 26 LEU HG H 1 1.402 0.030 . 1 . . . . A 26 LEU HG . 36331 1 297 . 1 . 1 26 26 LEU HD11 H 1 0.733 0.030 . 2 . . . . A 26 LEU HD11 . 36331 1 298 . 1 . 1 26 26 LEU HD12 H 1 0.733 0.030 . 2 . . . . A 26 LEU HD12 . 36331 1 299 . 1 . 1 26 26 LEU HD13 H 1 0.733 0.030 . 2 . . . . A 26 LEU HD13 . 36331 1 300 . 1 . 1 26 26 LEU HD21 H 1 0.826 0.030 . 2 . . . . A 26 LEU HD21 . 36331 1 301 . 1 . 1 26 26 LEU HD22 H 1 0.826 0.030 . 2 . . . . A 26 LEU HD22 . 36331 1 302 . 1 . 1 26 26 LEU HD23 H 1 0.826 0.030 . 2 . . . . A 26 LEU HD23 . 36331 1 303 . 1 . 1 26 26 LEU C C 13 178.092 0.300 . 1 . . . . A 26 LEU C . 36331 1 304 . 1 . 1 26 26 LEU CA C 13 59.050 0.300 . 1 . . . . A 26 LEU CA . 36331 1 305 . 1 . 1 26 26 LEU CB C 13 41.398 0.300 . 1 . . . . A 26 LEU CB . 36331 1 306 . 1 . 1 26 26 LEU CG C 13 27.525 0.300 . 1 . . . . A 26 LEU CG . 36331 1 307 . 1 . 1 26 26 LEU CD1 C 13 24.199 0.300 . 2 . . . . A 26 LEU CD1 . 36331 1 308 . 1 . 1 26 26 LEU CD2 C 13 25.562 0.300 . 2 . . . . A 26 LEU CD2 . 36331 1 309 . 1 . 1 26 26 LEU N N 15 120.488 0.300 . 1 . . . . A 26 LEU N . 36331 1 310 . 1 . 1 27 27 ARG H H 1 8.330 0.030 . 1 . . . . A 27 ARG H . 36331 1 311 . 1 . 1 27 27 ARG HA H 1 4.103 0.030 . 1 . . . . A 27 ARG HA . 36331 1 312 . 1 . 1 27 27 ARG CA C 13 58.989 0.300 . 1 . . . . A 27 ARG CA . 36331 1 313 . 1 . 1 27 27 ARG CB C 13 29.644 0.300 . 1 . . . . A 27 ARG CB . 36331 1 314 . 1 . 1 27 27 ARG CG C 13 27.533 0.300 . 1 . . . . A 27 ARG CG . 36331 1 315 . 1 . 1 27 27 ARG CD C 13 43.353 0.300 . 1 . . . . A 27 ARG CD . 36331 1 316 . 1 . 1 27 27 ARG N N 15 117.444 0.300 . 1 . . . . A 27 ARG N . 36331 1 317 . 1 . 1 28 28 ARG H H 1 7.705 0.030 . 1 . . . . A 28 ARG H . 36331 1 318 . 1 . 1 28 28 ARG HA H 1 4.110 0.030 . 1 . . . . A 28 ARG HA . 36331 1 319 . 1 . 1 28 28 ARG HG2 H 1 1.665 0.030 . 1 . . . . A 28 ARG HG2 . 36331 1 320 . 1 . 1 28 28 ARG HG3 H 1 1.665 0.030 . 1 . . . . A 28 ARG HG3 . 36331 1 321 . 1 . 1 28 28 ARG HD2 H 1 3.173 0.030 . 1 . . . . A 28 ARG HD2 . 36331 1 322 . 1 . 1 28 28 ARG HD3 H 1 3.173 0.030 . 1 . . . . A 28 ARG HD3 . 36331 1 323 . 1 . 1 28 28 ARG HE H 1 7.857 0.030 . 1 . . . . A 28 ARG HE . 36331 1 324 . 1 . 1 28 28 ARG C C 13 178.935 0.300 . 1 . . . . A 28 ARG C . 36331 1 325 . 1 . 1 28 28 ARG CA C 13 59.026 0.300 . 1 . . . . A 28 ARG CA . 36331 1 326 . 1 . 1 28 28 ARG CB C 13 29.731 0.300 . 1 . . . . A 28 ARG CB . 36331 1 327 . 1 . 1 28 28 ARG CG C 13 27.415 0.300 . 1 . . . . A 28 ARG CG . 36331 1 328 . 1 . 1 28 28 ARG CD C 13 43.351 0.300 . 1 . . . . A 28 ARG CD . 36331 1 329 . 1 . 1 28 28 ARG N N 15 119.248 0.300 . 1 . . . . A 28 ARG N . 36331 1 330 . 1 . 1 29 29 ILE H H 1 8.176 0.030 . 1 . . . . A 29 ILE H . 36331 1 331 . 1 . 1 29 29 ILE HA H 1 3.463 0.030 . 1 . . . . A 29 ILE HA . 36331 1 332 . 1 . 1 29 29 ILE HB H 1 1.796 0.030 . 1 . . . . A 29 ILE HB . 36331 1 333 . 1 . 1 29 29 ILE HG12 H 1 1.915 0.030 . 1 . . . . A 29 ILE HG12 . 36331 1 334 . 1 . 1 29 29 ILE HG13 H 1 1.915 0.030 . 1 . . . . A 29 ILE HG13 . 36331 1 335 . 1 . 1 29 29 ILE HG21 H 1 0.815 0.030 . 1 . . . . A 29 ILE HG21 . 36331 1 336 . 1 . 1 29 29 ILE HG22 H 1 0.815 0.030 . 1 . . . . A 29 ILE HG22 . 36331 1 337 . 1 . 1 29 29 ILE HG23 H 1 0.815 0.030 . 1 . . . . A 29 ILE HG23 . 36331 1 338 . 1 . 1 29 29 ILE HD11 H 1 0.631 0.030 . 1 . . . . A 29 ILE HD11 . 36331 1 339 . 1 . 1 29 29 ILE HD12 H 1 0.631 0.030 . 1 . . . . A 29 ILE HD12 . 36331 1 340 . 1 . 1 29 29 ILE HD13 H 1 0.631 0.030 . 1 . . . . A 29 ILE HD13 . 36331 1 341 . 1 . 1 29 29 ILE C C 13 177.836 0.300 . 1 . . . . A 29 ILE C . 36331 1 342 . 1 . 1 29 29 ILE CA C 13 66.134 0.300 . 1 . . . . A 29 ILE CA . 36331 1 343 . 1 . 1 29 29 ILE CB C 13 37.486 0.300 . 1 . . . . A 29 ILE CB . 36331 1 344 . 1 . 1 29 29 ILE CG1 C 13 29.298 0.300 . 1 . . . . A 29 ILE CG1 . 36331 1 345 . 1 . 1 29 29 ILE CG2 C 13 18.791 0.300 . 1 . . . . A 29 ILE CG2 . 36331 1 346 . 1 . 1 29 29 ILE CD1 C 13 13.759 0.300 . 1 . . . . A 29 ILE CD1 . 36331 1 347 . 1 . 1 29 29 ILE N N 15 119.218 0.300 . 1 . . . . A 29 ILE N . 36331 1 348 . 1 . 1 30 30 GLN H H 1 8.695 0.030 . 1 . . . . A 30 GLN H . 36331 1 349 . 1 . 1 30 30 GLN HA H 1 4.104 0.030 . 1 . . . . A 30 GLN HA . 36331 1 350 . 1 . 1 30 30 GLN HB2 H 1 2.050 0.030 . 2 . . . . A 30 GLN HB2 . 36331 1 351 . 1 . 1 30 30 GLN HB3 H 1 2.305 0.030 . 2 . . . . A 30 GLN HB3 . 36331 1 352 . 1 . 1 30 30 GLN HG2 H 1 2.257 0.030 . 2 . . . . A 30 GLN HG2 . 36331 1 353 . 1 . 1 30 30 GLN HG3 H 1 2.500 0.030 . 2 . . . . A 30 GLN HG3 . 36331 1 354 . 1 . 1 30 30 GLN HE21 H 1 6.739 0.030 . 2 . . . . A 30 GLN HE21 . 36331 1 355 . 1 . 1 30 30 GLN HE22 H 1 7.228 0.030 . 2 . . . . A 30 GLN HE22 . 36331 1 356 . 1 . 1 30 30 GLN C C 13 179.257 0.300 . 1 . . . . A 30 GLN C . 36331 1 357 . 1 . 1 30 30 GLN CA C 13 59.841 0.300 . 1 . . . . A 30 GLN CA . 36331 1 358 . 1 . 1 30 30 GLN CB C 13 28.430 0.300 . 1 . . . . A 30 GLN CB . 36331 1 359 . 1 . 1 30 30 GLN CG C 13 34.188 0.300 . 1 . . . . A 30 GLN CG . 36331 1 360 . 1 . 1 30 30 GLN N N 15 119.406 0.300 . 1 . . . . A 30 GLN N . 36331 1 361 . 1 . 1 30 30 GLN NE2 N 15 110.644 0.300 . 1 . . . . A 30 GLN NE2 . 36331 1 362 . 1 . 1 31 31 LYS H H 1 8.013 0.030 . 1 . . . . A 31 LYS H . 36331 1 363 . 1 . 1 31 31 LYS HA H 1 4.165 0.030 . 1 . . . . A 31 LYS HA . 36331 1 364 . 1 . 1 31 31 LYS HB2 H 1 2.022 0.030 . 1 . . . . A 31 LYS HB2 . 36331 1 365 . 1 . 1 31 31 LYS HB3 H 1 2.022 0.030 . 1 . . . . A 31 LYS HB3 . 36331 1 366 . 1 . 1 31 31 LYS HG2 H 1 1.505 0.030 . 1 . . . . A 31 LYS HG2 . 36331 1 367 . 1 . 1 31 31 LYS HG3 H 1 1.505 0.030 . 1 . . . . A 31 LYS HG3 . 36331 1 368 . 1 . 1 31 31 LYS HD2 H 1 1.694 0.030 . 1 . . . . A 31 LYS HD2 . 36331 1 369 . 1 . 1 31 31 LYS HD3 H 1 1.694 0.030 . 1 . . . . A 31 LYS HD3 . 36331 1 370 . 1 . 1 31 31 LYS HE2 H 1 2.991 0.030 . 1 . . . . A 31 LYS HE2 . 36331 1 371 . 1 . 1 31 31 LYS HE3 H 1 2.991 0.030 . 1 . . . . A 31 LYS HE3 . 36331 1 372 . 1 . 1 31 31 LYS C C 13 179.722 0.300 . 1 . . . . A 31 LYS C . 36331 1 373 . 1 . 1 31 31 LYS CA C 13 58.907 0.300 . 1 . . . . A 31 LYS CA . 36331 1 374 . 1 . 1 31 31 LYS CB C 13 32.151 0.300 . 1 . . . . A 31 LYS CB . 36331 1 375 . 1 . 1 31 31 LYS CG C 13 24.971 0.300 . 1 . . . . A 31 LYS CG . 36331 1 376 . 1 . 1 31 31 LYS CD C 13 29.018 0.300 . 1 . . . . A 31 LYS CD . 36331 1 377 . 1 . 1 31 31 LYS CE C 13 42.048 0.300 . 1 . . . . A 31 LYS CE . 36331 1 378 . 1 . 1 31 31 LYS N N 15 119.557 0.300 . 1 . . . . A 31 LYS N . 36331 1 379 . 1 . 1 32 32 GLU H H 1 8.023 0.030 . 1 . . . . A 32 GLU H . 36331 1 380 . 1 . 1 32 32 GLU HA H 1 4.254 0.030 . 1 . . . . A 32 GLU HA . 36331 1 381 . 1 . 1 32 32 GLU HB2 H 1 1.962 0.030 . 2 . . . . A 32 GLU HB2 . 36331 1 382 . 1 . 1 32 32 GLU HB3 H 1 2.057 0.030 . 2 . . . . A 32 GLU HB3 . 36331 1 383 . 1 . 1 32 32 GLU HG2 H 1 2.525 0.030 . 1 . . . . A 32 GLU HG2 . 36331 1 384 . 1 . 1 32 32 GLU HG3 H 1 2.525 0.030 . 1 . . . . A 32 GLU HG3 . 36331 1 385 . 1 . 1 32 32 GLU C C 13 178.787 0.300 . 1 . . . . A 32 GLU C . 36331 1 386 . 1 . 1 32 32 GLU CA C 13 58.148 0.300 . 1 . . . . A 32 GLU CA . 36331 1 387 . 1 . 1 32 32 GLU CB C 13 28.410 0.300 . 1 . . . . A 32 GLU CB . 36331 1 388 . 1 . 1 32 32 GLU CG C 13 35.371 0.300 . 1 . . . . A 32 GLU CG . 36331 1 389 . 1 . 1 32 32 GLU N N 15 119.037 0.300 . 1 . . . . A 32 GLU N . 36331 1 390 . 1 . 1 33 33 PHE H H 1 8.702 0.030 . 1 . . . . A 33 PHE H . 36331 1 391 . 1 . 1 33 33 PHE HA H 1 3.862 0.030 . 1 . . . . A 33 PHE HA . 36331 1 392 . 1 . 1 33 33 PHE HB2 H 1 2.922 0.030 . 2 . . . . A 33 PHE HB2 . 36331 1 393 . 1 . 1 33 33 PHE HB3 H 1 3.451 0.030 . 2 . . . . A 33 PHE HB3 . 36331 1 394 . 1 . 1 33 33 PHE HD1 H 1 7.036 0.030 . 1 . . . . A 33 PHE HD1 . 36331 1 395 . 1 . 1 33 33 PHE HD2 H 1 7.036 0.030 . 1 . . . . A 33 PHE HD2 . 36331 1 396 . 1 . 1 33 33 PHE HE1 H 1 7.147 0.030 . 1 . . . . A 33 PHE HE1 . 36331 1 397 . 1 . 1 33 33 PHE HE2 H 1 7.147 0.030 . 1 . . . . A 33 PHE HE2 . 36331 1 398 . 1 . 1 33 33 PHE HZ H 1 7.037 0.030 . 1 . . . . A 33 PHE HZ . 36331 1 399 . 1 . 1 33 33 PHE C C 13 176.171 0.300 . 1 . . . . A 33 PHE C . 36331 1 400 . 1 . 1 33 33 PHE CA C 13 62.061 0.300 . 1 . . . . A 33 PHE CA . 36331 1 401 . 1 . 1 33 33 PHE CB C 13 38.793 0.300 . 1 . . . . A 33 PHE CB . 36331 1 402 . 1 . 1 33 33 PHE CD1 C 13 131.401 0.300 . 1 . . . . A 33 PHE CD1 . 36331 1 403 . 1 . 1 33 33 PHE CD2 C 13 131.401 0.300 . 1 . . . . A 33 PHE CD2 . 36331 1 404 . 1 . 1 33 33 PHE CE1 C 13 131.186 0.300 . 1 . . . . A 33 PHE CE1 . 36331 1 405 . 1 . 1 33 33 PHE CE2 C 13 131.186 0.300 . 1 . . . . A 33 PHE CE2 . 36331 1 406 . 1 . 1 33 33 PHE CZ C 13 129.398 0.300 . 1 . . . . A 33 PHE CZ . 36331 1 407 . 1 . 1 33 33 PHE N N 15 120.930 0.300 . 1 . . . . A 33 PHE N . 36331 1 408 . 1 . 1 34 34 GLU H H 1 7.855 0.030 . 1 . . . . A 34 GLU H . 36331 1 409 . 1 . 1 34 34 GLU HA H 1 3.992 0.030 . 1 . . . . A 34 GLU HA . 36331 1 410 . 1 . 1 34 34 GLU HB2 H 1 2.185 0.030 . 1 . . . . A 34 GLU HB2 . 36331 1 411 . 1 . 1 34 34 GLU HB3 H 1 2.185 0.030 . 1 . . . . A 34 GLU HB3 . 36331 1 412 . 1 . 1 34 34 GLU HG2 H 1 2.286 0.030 . 2 . . . . A 34 GLU HG2 . 36331 1 413 . 1 . 1 34 34 GLU HG3 H 1 2.530 0.030 . 2 . . . . A 34 GLU HG3 . 36331 1 414 . 1 . 1 34 34 GLU C C 13 178.791 0.300 . 1 . . . . A 34 GLU C . 36331 1 415 . 1 . 1 34 34 GLU CA C 13 59.176 0.300 . 1 . . . . A 34 GLU CA . 36331 1 416 . 1 . 1 34 34 GLU CB C 13 29.718 0.300 . 1 . . . . A 34 GLU CB . 36331 1 417 . 1 . 1 34 34 GLU CG C 13 36.344 0.300 . 1 . . . . A 34 GLU CG . 36331 1 418 . 1 . 1 34 34 GLU N N 15 118.170 0.300 . 1 . . . . A 34 GLU N . 36331 1 419 . 1 . 1 35 35 ARG H H 1 7.643 0.030 . 1 . . . . A 35 ARG H . 36331 1 420 . 1 . 1 35 35 ARG HA H 1 3.986 0.030 . 1 . . . . A 35 ARG HA . 36331 1 421 . 1 . 1 35 35 ARG HB2 H 1 1.882 0.030 . 1 . . . . A 35 ARG HB2 . 36331 1 422 . 1 . 1 35 35 ARG HB3 H 1 1.882 0.030 . 1 . . . . A 35 ARG HB3 . 36331 1 423 . 1 . 1 35 35 ARG HG2 H 1 1.718 0.030 . 1 . . . . A 35 ARG HG2 . 36331 1 424 . 1 . 1 35 35 ARG HG3 H 1 1.718 0.030 . 1 . . . . A 35 ARG HG3 . 36331 1 425 . 1 . 1 35 35 ARG HD2 H 1 3.192 0.030 . 1 . . . . A 35 ARG HD2 . 36331 1 426 . 1 . 1 35 35 ARG HD3 H 1 3.192 0.030 . 1 . . . . A 35 ARG HD3 . 36331 1 427 . 1 . 1 35 35 ARG HE H 1 7.655 0.030 . 1 . . . . A 35 ARG HE . 36331 1 428 . 1 . 1 35 35 ARG C C 13 177.767 0.300 . 1 . . . . A 35 ARG C . 36331 1 429 . 1 . 1 35 35 ARG CA C 13 59.126 0.300 . 1 . . . . A 35 ARG CA . 36331 1 430 . 1 . 1 35 35 ARG CB C 13 30.528 0.300 . 1 . . . . A 35 ARG CB . 36331 1 431 . 1 . 1 35 35 ARG CG C 13 27.560 0.300 . 1 . . . . A 35 ARG CG . 36331 1 432 . 1 . 1 35 35 ARG CD C 13 43.412 0.300 . 1 . . . . A 35 ARG CD . 36331 1 433 . 1 . 1 35 35 ARG N N 15 118.571 0.300 . 1 . . . . A 35 ARG N . 36331 1 434 . 1 . 1 36 36 ALA H H 1 8.230 0.030 . 1 . . . . A 36 ALA H . 36331 1 435 . 1 . 1 36 36 ALA HA H 1 4.025 0.030 . 1 . . . . A 36 ALA HA . 36331 1 436 . 1 . 1 36 36 ALA HB1 H 1 1.401 0.030 . 1 . . . . A 36 ALA HB1 . 36331 1 437 . 1 . 1 36 36 ALA HB2 H 1 1.401 0.030 . 1 . . . . A 36 ALA HB2 . 36331 1 438 . 1 . 1 36 36 ALA HB3 H 1 1.401 0.030 . 1 . . . . A 36 ALA HB3 . 36331 1 439 . 1 . 1 36 36 ALA C C 13 180.043 0.300 . 1 . . . . A 36 ALA C . 36331 1 440 . 1 . 1 36 36 ALA CA C 13 54.962 0.300 . 1 . . . . A 36 ALA CA . 36331 1 441 . 1 . 1 36 36 ALA CB C 13 18.530 0.300 . 1 . . . . A 36 ALA CB . 36331 1 442 . 1 . 1 36 36 ALA N N 15 123.250 0.300 . 1 . . . . A 36 ALA N . 36331 1 443 . 1 . 1 37 37 GLU H H 1 8.241 0.030 . 1 . . . . A 37 GLU H . 36331 1 444 . 1 . 1 37 37 GLU HA H 1 3.837 0.030 . 1 . . . . A 37 GLU HA . 36331 1 445 . 1 . 1 37 37 GLU HB2 H 1 1.746 0.030 . 2 . . . . A 37 GLU HB2 . 36331 1 446 . 1 . 1 37 37 GLU HB3 H 1 1.916 0.030 . 2 . . . . A 37 GLU HB3 . 36331 1 447 . 1 . 1 37 37 GLU HG2 H 1 2.019 0.030 . 2 . . . . A 37 GLU HG2 . 36331 1 448 . 1 . 1 37 37 GLU HG3 H 1 2.065 0.030 . 2 . . . . A 37 GLU HG3 . 36331 1 449 . 1 . 1 37 37 GLU C C 13 178.563 0.300 . 1 . . . . A 37 GLU C . 36331 1 450 . 1 . 1 37 37 GLU CA C 13 59.001 0.300 . 1 . . . . A 37 GLU CA . 36331 1 451 . 1 . 1 37 37 GLU CB C 13 29.607 0.300 . 1 . . . . A 37 GLU CB . 36331 1 452 . 1 . 1 37 37 GLU CG C 13 36.400 0.300 . 1 . . . . A 37 GLU CG . 36331 1 453 . 1 . 1 37 37 GLU N N 15 117.692 0.300 . 1 . . . . A 37 GLU N . 36331 1 454 . 1 . 1 38 38 ARG H H 1 7.861 0.030 . 1 . . . . A 38 ARG H . 36331 1 455 . 1 . 1 38 38 ARG HA H 1 4.132 0.030 . 1 . . . . A 38 ARG HA . 36331 1 456 . 1 . 1 38 38 ARG HB2 H 1 1.882 0.030 . 1 . . . . A 38 ARG HB2 . 36331 1 457 . 1 . 1 38 38 ARG HB3 H 1 1.882 0.030 . 1 . . . . A 38 ARG HB3 . 36331 1 458 . 1 . 1 38 38 ARG HG2 H 1 1.722 0.030 . 1 . . . . A 38 ARG HG2 . 36331 1 459 . 1 . 1 38 38 ARG HG3 H 1 1.722 0.030 . 1 . . . . A 38 ARG HG3 . 36331 1 460 . 1 . 1 38 38 ARG HD2 H 1 3.195 0.030 . 1 . . . . A 38 ARG HD2 . 36331 1 461 . 1 . 1 38 38 ARG HD3 H 1 3.195 0.030 . 1 . . . . A 38 ARG HD3 . 36331 1 462 . 1 . 1 38 38 ARG C C 13 178.014 0.300 . 1 . . . . A 38 ARG C . 36331 1 463 . 1 . 1 38 38 ARG CA C 13 58.386 0.300 . 1 . . . . A 38 ARG CA . 36331 1 464 . 1 . 1 38 38 ARG CB C 13 30.501 0.300 . 1 . . . . A 38 ARG CB . 36331 1 465 . 1 . 1 38 38 ARG CG C 13 27.539 0.300 . 1 . . . . A 38 ARG CG . 36331 1 466 . 1 . 1 38 38 ARG CD C 13 43.361 0.300 . 1 . . . . A 38 ARG CD . 36331 1 467 . 1 . 1 38 38 ARG N N 15 118.231 0.300 . 1 . . . . A 38 ARG N . 36331 1 468 . 1 . 1 39 39 LYS H H 1 8.161 0.030 . 1 . . . . A 39 LYS H . 36331 1 469 . 1 . 1 39 39 LYS HA H 1 4.295 0.030 . 1 . . . . A 39 LYS HA . 36331 1 470 . 1 . 1 39 39 LYS HG2 H 1 1.279 0.030 . 2 . . . . A 39 LYS HG2 . 36331 1 471 . 1 . 1 39 39 LYS HG3 H 1 1.433 0.030 . 2 . . . . A 39 LYS HG3 . 36331 1 472 . 1 . 1 39 39 LYS HD2 H 1 1.634 0.030 . 1 . . . . A 39 LYS HD2 . 36331 1 473 . 1 . 1 39 39 LYS HD3 H 1 1.634 0.030 . 1 . . . . A 39 LYS HD3 . 36331 1 474 . 1 . 1 39 39 LYS HE2 H 1 2.923 0.030 . 1 . . . . A 39 LYS HE2 . 36331 1 475 . 1 . 1 39 39 LYS HE3 H 1 2.923 0.030 . 1 . . . . A 39 LYS HE3 . 36331 1 476 . 1 . 1 39 39 LYS C C 13 177.436 0.300 . 1 . . . . A 39 LYS C . 36331 1 477 . 1 . 1 39 39 LYS CA C 13 56.408 0.300 . 1 . . . . A 39 LYS CA . 36331 1 478 . 1 . 1 39 39 LYS CB C 13 32.857 0.300 . 1 . . . . A 39 LYS CB . 36331 1 479 . 1 . 1 39 39 LYS CG C 13 25.168 0.300 . 1 . . . . A 39 LYS CG . 36331 1 480 . 1 . 1 39 39 LYS CD C 13 28.989 0.300 . 1 . . . . A 39 LYS CD . 36331 1 481 . 1 . 1 39 39 LYS CE C 13 42.167 0.300 . 1 . . . . A 39 LYS CE . 36331 1 482 . 1 . 1 39 39 LYS N N 15 116.623 0.300 . 1 . . . . A 39 LYS N . 36331 1 483 . 1 . 1 40 40 GLY H H 1 8.080 0.030 . 1 . . . . A 40 GLY H . 36331 1 484 . 1 . 1 40 40 GLY HA2 H 1 3.841 0.030 . 1 . . . . A 40 GLY HA2 . 36331 1 485 . 1 . 1 40 40 GLY HA3 H 1 3.841 0.030 . 1 . . . . A 40 GLY HA3 . 36331 1 486 . 1 . 1 40 40 GLY C C 13 174.506 0.300 . 1 . . . . A 40 GLY C . 36331 1 487 . 1 . 1 40 40 GLY CA C 13 46.492 0.300 . 1 . . . . A 40 GLY CA . 36331 1 488 . 1 . 1 40 40 GLY N N 15 109.156 0.300 . 1 . . . . A 40 GLY N . 36331 1 489 . 1 . 1 41 41 LYS H H 1 7.593 0.030 . 1 . . . . A 41 LYS H . 36331 1 490 . 1 . 1 41 41 LYS HA H 1 4.588 0.030 . 1 . . . . A 41 LYS HA . 36331 1 491 . 1 . 1 41 41 LYS HB2 H 1 1.481 0.030 . 2 . . . . A 41 LYS HB2 . 36331 1 492 . 1 . 1 41 41 LYS HB3 H 1 1.749 0.030 . 2 . . . . A 41 LYS HB3 . 36331 1 493 . 1 . 1 41 41 LYS HG2 H 1 1.268 0.030 . 1 . . . . A 41 LYS HG2 . 36331 1 494 . 1 . 1 41 41 LYS HG3 H 1 1.268 0.030 . 1 . . . . A 41 LYS HG3 . 36331 1 495 . 1 . 1 41 41 LYS HD2 H 1 1.501 0.030 . 1 . . . . A 41 LYS HD2 . 36331 1 496 . 1 . 1 41 41 LYS HD3 H 1 1.501 0.030 . 1 . . . . A 41 LYS HD3 . 36331 1 497 . 1 . 1 41 41 LYS HE2 H 1 2.877 0.030 . 1 . . . . A 41 LYS HE2 . 36331 1 498 . 1 . 1 41 41 LYS HE3 H 1 2.877 0.030 . 1 . . . . A 41 LYS HE3 . 36331 1 499 . 1 . 1 41 41 LYS C C 13 174.334 0.300 . 1 . . . . A 41 LYS C . 36331 1 500 . 1 . 1 41 41 LYS CA C 13 54.636 0.300 . 1 . . . . A 41 LYS CA . 36331 1 501 . 1 . 1 41 41 LYS CB C 13 34.955 0.300 . 1 . . . . A 41 LYS CB . 36331 1 502 . 1 . 1 41 41 LYS CG C 13 25.107 0.300 . 1 . . . . A 41 LYS CG . 36331 1 503 . 1 . 1 41 41 LYS CE C 13 42.386 0.300 . 1 . . . . A 41 LYS CE . 36331 1 504 . 1 . 1 41 41 LYS N N 15 118.637 0.300 . 1 . . . . A 41 LYS N . 36331 1 505 . 1 . 1 42 42 LEU H H 1 7.999 0.030 . 1 . . . . A 42 LEU H . 36331 1 506 . 1 . 1 42 42 LEU HA H 1 4.568 0.030 . 1 . . . . A 42 LEU HA . 36331 1 507 . 1 . 1 42 42 LEU HB2 H 1 1.323 0.030 . 2 . . . . A 42 LEU HB2 . 36331 1 508 . 1 . 1 42 42 LEU HB3 H 1 1.577 0.030 . 2 . . . . A 42 LEU HB3 . 36331 1 509 . 1 . 1 42 42 LEU HG H 1 1.315 0.030 . 1 . . . . A 42 LEU HG . 36331 1 510 . 1 . 1 42 42 LEU HD11 H 1 0.677 0.030 . 2 . . . . A 42 LEU HD11 . 36331 1 511 . 1 . 1 42 42 LEU HD12 H 1 0.677 0.030 . 2 . . . . A 42 LEU HD12 . 36331 1 512 . 1 . 1 42 42 LEU HD13 H 1 0.677 0.030 . 2 . . . . A 42 LEU HD13 . 36331 1 513 . 1 . 1 42 42 LEU HD21 H 1 0.635 0.030 . 2 . . . . A 42 LEU HD21 . 36331 1 514 . 1 . 1 42 42 LEU HD22 H 1 0.635 0.030 . 2 . . . . A 42 LEU HD22 . 36331 1 515 . 1 . 1 42 42 LEU HD23 H 1 0.635 0.030 . 2 . . . . A 42 LEU HD23 . 36331 1 516 . 1 . 1 42 42 LEU C C 13 174.725 0.300 . 1 . . . . A 42 LEU C . 36331 1 517 . 1 . 1 42 42 LEU CA C 13 54.716 0.300 . 1 . . . . A 42 LEU CA . 36331 1 518 . 1 . 1 42 42 LEU CB C 13 43.594 0.300 . 1 . . . . A 42 LEU CB . 36331 1 519 . 1 . 1 42 42 LEU CG C 13 27.163 0.300 . 1 . . . . A 42 LEU CG . 36331 1 520 . 1 . 1 42 42 LEU CD1 C 13 23.932 0.300 . 2 . . . . A 42 LEU CD1 . 36331 1 521 . 1 . 1 42 42 LEU CD2 C 13 26.986 0.300 . 2 . . . . A 42 LEU CD2 . 36331 1 522 . 1 . 1 42 42 LEU N N 15 122.380 0.300 . 1 . . . . A 42 LEU N . 36331 1 523 . 1 . 1 43 43 VAL H H 1 7.985 0.030 . 1 . . . . A 43 VAL H . 36331 1 524 . 1 . 1 43 43 VAL HA H 1 4.562 0.030 . 1 . . . . A 43 VAL HA . 36331 1 525 . 1 . 1 43 43 VAL HB H 1 1.871 0.030 . 1 . . . . A 43 VAL HB . 36331 1 526 . 1 . 1 43 43 VAL HG11 H 1 0.827 0.030 . 2 . . . . A 43 VAL HG11 . 36331 1 527 . 1 . 1 43 43 VAL HG12 H 1 0.827 0.030 . 2 . . . . A 43 VAL HG12 . 36331 1 528 . 1 . 1 43 43 VAL HG13 H 1 0.827 0.030 . 2 . . . . A 43 VAL HG13 . 36331 1 529 . 1 . 1 43 43 VAL HG21 H 1 0.957 0.030 . 2 . . . . A 43 VAL HG21 . 36331 1 530 . 1 . 1 43 43 VAL HG22 H 1 0.957 0.030 . 2 . . . . A 43 VAL HG22 . 36331 1 531 . 1 . 1 43 43 VAL HG23 H 1 0.957 0.030 . 2 . . . . A 43 VAL HG23 . 36331 1 532 . 1 . 1 43 43 VAL C C 13 174.024 0.300 . 1 . . . . A 43 VAL C . 36331 1 533 . 1 . 1 43 43 VAL CA C 13 61.383 0.300 . 1 . . . . A 43 VAL CA . 36331 1 534 . 1 . 1 43 43 VAL CB C 13 34.383 0.300 . 1 . . . . A 43 VAL CB . 36331 1 535 . 1 . 1 43 43 VAL CG1 C 13 21.988 0.300 . 2 . . . . A 43 VAL CG1 . 36331 1 536 . 1 . 1 43 43 VAL CG2 C 13 22.201 0.300 . 2 . . . . A 43 VAL CG2 . 36331 1 537 . 1 . 1 43 43 VAL N N 15 125.717 0.300 . 1 . . . . A 43 VAL N . 36331 1 538 . 1 . 1 44 44 ILE H H 1 8.839 0.030 . 1 . . . . A 44 ILE H . 36331 1 539 . 1 . 1 44 44 ILE HA H 1 4.529 0.030 . 1 . . . . A 44 ILE HA . 36331 1 540 . 1 . 1 44 44 ILE HB H 1 1.737 0.030 . 1 . . . . A 44 ILE HB . 36331 1 541 . 1 . 1 44 44 ILE HG12 H 1 0.949 0.030 . 2 . . . . A 44 ILE HG12 . 36331 1 542 . 1 . 1 44 44 ILE HG13 H 1 1.383 0.030 . 2 . . . . A 44 ILE HG13 . 36331 1 543 . 1 . 1 44 44 ILE HG21 H 1 0.629 0.030 . 1 . . . . A 44 ILE HG21 . 36331 1 544 . 1 . 1 44 44 ILE HG22 H 1 0.629 0.030 . 1 . . . . A 44 ILE HG22 . 36331 1 545 . 1 . 1 44 44 ILE HG23 H 1 0.629 0.030 . 1 . . . . A 44 ILE HG23 . 36331 1 546 . 1 . 1 44 44 ILE HD11 H 1 0.635 0.030 . 1 . . . . A 44 ILE HD11 . 36331 1 547 . 1 . 1 44 44 ILE HD12 H 1 0.635 0.030 . 1 . . . . A 44 ILE HD12 . 36331 1 548 . 1 . 1 44 44 ILE HD13 H 1 0.635 0.030 . 1 . . . . A 44 ILE HD13 . 36331 1 549 . 1 . 1 44 44 ILE C C 13 174.535 0.300 . 1 . . . . A 44 ILE C . 36331 1 550 . 1 . 1 44 44 ILE CA C 13 59.452 0.300 . 1 . . . . A 44 ILE CA . 36331 1 551 . 1 . 1 44 44 ILE CB C 13 39.658 0.300 . 1 . . . . A 44 ILE CB . 36331 1 552 . 1 . 1 44 44 ILE CG1 C 13 27.578 0.300 . 1 . . . . A 44 ILE CG1 . 36331 1 553 . 1 . 1 44 44 ILE CG2 C 13 17.245 0.300 . 1 . . . . A 44 ILE CG2 . 36331 1 554 . 1 . 1 44 44 ILE CD1 C 13 13.676 0.300 . 1 . . . . A 44 ILE CD1 . 36331 1 555 . 1 . 1 44 44 ILE N N 15 125.365 0.300 . 1 . . . . A 44 ILE N . 36331 1 556 . 1 . 1 45 45 VAL H H 1 9.012 0.030 . 1 . . . . A 45 VAL H . 36331 1 557 . 1 . 1 45 45 VAL HA H 1 4.708 0.030 . 1 . . . . A 45 VAL HA . 36331 1 558 . 1 . 1 45 45 VAL HB H 1 2.172 0.030 . 1 . . . . A 45 VAL HB . 36331 1 559 . 1 . 1 45 45 VAL HG11 H 1 0.854 0.030 . 2 . . . . A 45 VAL HG11 . 36331 1 560 . 1 . 1 45 45 VAL HG12 H 1 0.854 0.030 . 2 . . . . A 45 VAL HG12 . 36331 1 561 . 1 . 1 45 45 VAL HG13 H 1 0.854 0.030 . 2 . . . . A 45 VAL HG13 . 36331 1 562 . 1 . 1 45 45 VAL HG21 H 1 0.734 0.030 . 2 . . . . A 45 VAL HG21 . 36331 1 563 . 1 . 1 45 45 VAL HG22 H 1 0.734 0.030 . 2 . . . . A 45 VAL HG22 . 36331 1 564 . 1 . 1 45 45 VAL HG23 H 1 0.734 0.030 . 2 . . . . A 45 VAL HG23 . 36331 1 565 . 1 . 1 45 45 VAL C C 13 173.373 0.300 . 1 . . . . A 45 VAL C . 36331 1 566 . 1 . 1 45 45 VAL CA C 13 60.818 0.300 . 1 . . . . A 45 VAL CA . 36331 1 567 . 1 . 1 45 45 VAL CB C 13 32.870 0.300 . 1 . . . . A 45 VAL CB . 36331 1 568 . 1 . 1 45 45 VAL CG1 C 13 21.487 0.300 . 2 . . . . A 45 VAL CG1 . 36331 1 569 . 1 . 1 45 45 VAL CG2 C 13 21.192 0.300 . 2 . . . . A 45 VAL CG2 . 36331 1 570 . 1 . 1 45 45 VAL N N 15 128.151 0.300 . 1 . . . . A 45 VAL N . 36331 1 571 . 1 . 1 46 46 TYR H H 1 9.407 0.030 . 1 . . . . A 46 TYR H . 36331 1 572 . 1 . 1 46 46 TYR HA H 1 5.405 0.030 . 1 . . . . A 46 TYR HA . 36331 1 573 . 1 . 1 46 46 TYR HB2 H 1 2.656 0.030 . 2 . . . . A 46 TYR HB2 . 36331 1 574 . 1 . 1 46 46 TYR HB3 H 1 2.902 0.030 . 2 . . . . A 46 TYR HB3 . 36331 1 575 . 1 . 1 46 46 TYR HD1 H 1 6.835 0.030 . 1 . . . . A 46 TYR HD1 . 36331 1 576 . 1 . 1 46 46 TYR HD2 H 1 6.835 0.030 . 1 . . . . A 46 TYR HD2 . 36331 1 577 . 1 . 1 46 46 TYR HE1 H 1 6.628 0.030 . 1 . . . . A 46 TYR HE1 . 36331 1 578 . 1 . 1 46 46 TYR HE2 H 1 6.628 0.030 . 1 . . . . A 46 TYR HE2 . 36331 1 579 . 1 . 1 46 46 TYR HH H 1 8.551 0.030 . 1 . . . . A 46 TYR HH . 36331 1 580 . 1 . 1 46 46 TYR C C 13 173.455 0.300 . 1 . . . . A 46 TYR C . 36331 1 581 . 1 . 1 46 46 TYR CA C 13 55.721 0.300 . 1 . . . . A 46 TYR CA . 36331 1 582 . 1 . 1 46 46 TYR CB C 13 41.221 0.300 . 1 . . . . A 46 TYR CB . 36331 1 583 . 1 . 1 46 46 TYR CD1 C 13 133.049 0.300 . 1 . . . . A 46 TYR CD1 . 36331 1 584 . 1 . 1 46 46 TYR CD2 C 13 133.049 0.300 . 1 . . . . A 46 TYR CD2 . 36331 1 585 . 1 . 1 46 46 TYR CE1 C 13 118.188 0.300 . 1 . . . . A 46 TYR CE1 . 36331 1 586 . 1 . 1 46 46 TYR CE2 C 13 118.188 0.300 . 1 . . . . A 46 TYR CE2 . 36331 1 587 . 1 . 1 46 46 TYR N N 15 128.305 0.300 . 1 . . . . A 46 TYR N . 36331 1 588 . 1 . 1 47 47 LEU H H 1 8.276 0.030 . 1 . . . . A 47 LEU H . 36331 1 589 . 1 . 1 47 47 LEU HA H 1 5.047 0.030 . 1 . . . . A 47 LEU HA . 36331 1 590 . 1 . 1 47 47 LEU HB2 H 1 1.518 0.030 . 2 . . . . A 47 LEU HB2 . 36331 1 591 . 1 . 1 47 47 LEU HB3 H 1 1.637 0.030 . 2 . . . . A 47 LEU HB3 . 36331 1 592 . 1 . 1 47 47 LEU HG H 1 0.726 0.030 . 1 . . . . A 47 LEU HG . 36331 1 593 . 1 . 1 47 47 LEU HD11 H 1 0.707 0.030 . 1 . . . . A 47 LEU HD11 . 36331 1 594 . 1 . 1 47 47 LEU HD12 H 1 0.707 0.030 . 1 . . . . A 47 LEU HD12 . 36331 1 595 . 1 . 1 47 47 LEU HD13 H 1 0.707 0.030 . 1 . . . . A 47 LEU HD13 . 36331 1 596 . 1 . 1 47 47 LEU HD21 H 1 0.723 0.030 . 1 . . . . A 47 LEU HD21 . 36331 1 597 . 1 . 1 47 47 LEU HD22 H 1 0.723 0.030 . 1 . . . . A 47 LEU HD22 . 36331 1 598 . 1 . 1 47 47 LEU HD23 H 1 0.723 0.030 . 1 . . . . A 47 LEU HD23 . 36331 1 599 . 1 . 1 47 47 LEU C C 13 176.061 0.300 . 1 . . . . A 47 LEU C . 36331 1 600 . 1 . 1 47 47 LEU CA C 13 52.928 0.300 . 1 . . . . A 47 LEU CA . 36331 1 601 . 1 . 1 47 47 LEU CB C 13 42.757 0.300 . 1 . . . . A 47 LEU CB . 36331 1 602 . 1 . 1 47 47 LEU CG C 13 25.640 0.300 . 1 . . . . A 47 LEU CG . 36331 1 603 . 1 . 1 47 47 LEU CD1 C 13 25.655 0.300 . 1 . . . . A 47 LEU CD1 . 36331 1 604 . 1 . 1 47 47 LEU CD2 C 13 25.655 0.300 . 1 . . . . A 47 LEU CD2 . 36331 1 605 . 1 . 1 47 47 LEU N N 15 127.685 0.300 . 1 . . . . A 47 LEU N . 36331 1 606 . 1 . 1 48 48 THR H H 1 8.450 0.030 . 1 . . . . A 48 THR H . 36331 1 607 . 1 . 1 48 48 THR HA H 1 4.341 0.030 . 1 . . . . A 48 THR HA . 36331 1 608 . 1 . 1 48 48 THR HB H 1 4.653 0.030 . 1 . . . . A 48 THR HB . 36331 1 609 . 1 . 1 48 48 THR HG21 H 1 1.212 0.030 . 1 . . . . A 48 THR HG21 . 36331 1 610 . 1 . 1 48 48 THR HG22 H 1 1.212 0.030 . 1 . . . . A 48 THR HG22 . 36331 1 611 . 1 . 1 48 48 THR HG23 H 1 1.212 0.030 . 1 . . . . A 48 THR HG23 . 36331 1 612 . 1 . 1 48 48 THR C C 13 177.388 0.300 . 1 . . . . A 48 THR C . 36331 1 613 . 1 . 1 48 48 THR CA C 13 60.961 0.300 . 1 . . . . A 48 THR CA . 36331 1 614 . 1 . 1 48 48 THR CB C 13 70.877 0.300 . 1 . . . . A 48 THR CB . 36331 1 615 . 1 . 1 48 48 THR CG2 C 13 22.254 0.300 . 1 . . . . A 48 THR CG2 . 36331 1 616 . 1 . 1 48 48 THR N N 15 113.848 0.300 . 1 . . . . A 48 THR N . 36331 1 617 . 1 . 1 49 49 SER H H 1 9.032 0.030 . 1 . . . . A 49 SER H . 36331 1 618 . 1 . 1 49 49 SER HA H 1 4.190 0.030 . 1 . . . . A 49 SER HA . 36331 1 619 . 1 . 1 49 49 SER HB2 H 1 3.933 0.030 . 2 . . . . A 49 SER HB2 . 36331 1 620 . 1 . 1 49 49 SER HB3 H 1 4.006 0.030 . 2 . . . . A 49 SER HB3 . 36331 1 621 . 1 . 1 49 49 SER C C 13 174.770 0.300 . 1 . . . . A 49 SER C . 36331 1 622 . 1 . 1 49 49 SER CA C 13 60.927 0.300 . 1 . . . . A 49 SER CA . 36331 1 623 . 1 . 1 49 49 SER CB C 13 62.912 0.300 . 1 . . . . A 49 SER CB . 36331 1 624 . 1 . 1 49 49 SER N N 15 116.544 0.300 . 1 . . . . A 49 SER N . 36331 1 625 . 1 . 1 50 50 ASP H H 1 8.103 0.030 . 1 . . . . A 50 ASP H . 36331 1 626 . 1 . 1 50 50 ASP HA H 1 4.685 0.030 . 1 . . . . A 50 ASP HA . 36331 1 627 . 1 . 1 50 50 ASP HB2 H 1 2.609 0.030 . 2 . . . . A 50 ASP HB2 . 36331 1 628 . 1 . 1 50 50 ASP HB3 H 1 2.876 0.030 . 2 . . . . A 50 ASP HB3 . 36331 1 629 . 1 . 1 50 50 ASP C C 13 176.230 0.300 . 1 . . . . A 50 ASP C . 36331 1 630 . 1 . 1 50 50 ASP CA C 13 52.930 0.300 . 1 . . . . A 50 ASP CA . 36331 1 631 . 1 . 1 50 50 ASP CB C 13 39.835 0.300 . 1 . . . . A 50 ASP CB . 36331 1 632 . 1 . 1 50 50 ASP N N 15 117.197 0.300 . 1 . . . . A 50 ASP N . 36331 1 633 . 1 . 1 51 51 GLY H H 1 7.885 0.030 . 1 . . . . A 51 GLY H . 36331 1 634 . 1 . 1 51 51 GLY HA2 H 1 3.648 0.030 . 2 . . . . A 51 GLY HA2 . 36331 1 635 . 1 . 1 51 51 GLY HA3 H 1 4.039 0.030 . 2 . . . . A 51 GLY HA3 . 36331 1 636 . 1 . 1 51 51 GLY C C 13 179.403 0.300 . 1 . . . . A 51 GLY C . 36331 1 637 . 1 . 1 51 51 GLY CA C 13 46.377 0.300 . 1 . . . . A 51 GLY CA . 36331 1 638 . 1 . 1 51 51 GLY N N 15 107.814 0.300 . 1 . . . . A 51 GLY N . 36331 1 639 . 1 . 1 52 52 LYS H H 1 7.706 0.030 . 1 . . . . A 52 LYS H . 36331 1 640 . 1 . 1 52 52 LYS HA H 1 4.430 0.030 . 1 . . . . A 52 LYS HA . 36331 1 641 . 1 . 1 52 52 LYS HB2 H 1 1.817 0.030 . 1 . . . . A 52 LYS HB2 . 36331 1 642 . 1 . 1 52 52 LYS HB3 H 1 1.817 0.030 . 1 . . . . A 52 LYS HB3 . 36331 1 643 . 1 . 1 52 52 LYS HG2 H 1 1.222 0.030 . 2 . . . . A 52 LYS HG2 . 36331 1 644 . 1 . 1 52 52 LYS HG3 H 1 1.629 0.030 . 2 . . . . A 52 LYS HG3 . 36331 1 645 . 1 . 1 52 52 LYS HD2 H 1 1.226 0.030 . 1 . . . . A 52 LYS HD2 . 36331 1 646 . 1 . 1 52 52 LYS HD3 H 1 1.226 0.030 . 1 . . . . A 52 LYS HD3 . 36331 1 647 . 1 . 1 52 52 LYS HE2 H 1 2.930 0.030 . 1 . . . . A 52 LYS HE2 . 36331 1 648 . 1 . 1 52 52 LYS HE3 H 1 2.930 0.030 . 1 . . . . A 52 LYS HE3 . 36331 1 649 . 1 . 1 52 52 LYS C C 13 175.513 0.300 . 1 . . . . A 52 LYS C . 36331 1 650 . 1 . 1 52 52 LYS CA C 13 55.207 0.300 . 1 . . . . A 52 LYS CA . 36331 1 651 . 1 . 1 52 52 LYS CB C 13 33.154 0.300 . 1 . . . . A 52 LYS CB . 36331 1 652 . 1 . 1 52 52 LYS CG C 13 28.992 0.300 . 1 . . . . A 52 LYS CG . 36331 1 653 . 1 . 1 52 52 LYS CE C 13 42.182 0.300 . 1 . . . . A 52 LYS CE . 36331 1 654 . 1 . 1 52 52 LYS N N 15 119.571 0.300 . 1 . . . . A 52 LYS N . 36331 1 655 . 1 . 1 53 53 VAL H H 1 8.211 0.030 . 1 . . . . A 53 VAL H . 36331 1 656 . 1 . 1 53 53 VAL HA H 1 4.698 0.030 . 1 . . . . A 53 VAL HA . 36331 1 657 . 1 . 1 53 53 VAL HB H 1 1.904 0.030 . 1 . . . . A 53 VAL HB . 36331 1 658 . 1 . 1 53 53 VAL HG11 H 1 0.817 0.030 . 2 . . . . A 53 VAL HG11 . 36331 1 659 . 1 . 1 53 53 VAL HG12 H 1 0.817 0.030 . 2 . . . . A 53 VAL HG12 . 36331 1 660 . 1 . 1 53 53 VAL HG13 H 1 0.817 0.030 . 2 . . . . A 53 VAL HG13 . 36331 1 661 . 1 . 1 53 53 VAL HG21 H 1 0.704 0.030 . 2 . . . . A 53 VAL HG21 . 36331 1 662 . 1 . 1 53 53 VAL HG22 H 1 0.704 0.030 . 2 . . . . A 53 VAL HG22 . 36331 1 663 . 1 . 1 53 53 VAL HG23 H 1 0.704 0.030 . 2 . . . . A 53 VAL HG23 . 36331 1 664 . 1 . 1 53 53 VAL C C 13 175.443 0.300 . 1 . . . . A 53 VAL C . 36331 1 665 . 1 . 1 53 53 VAL CA C 13 61.110 0.300 . 1 . . . . A 53 VAL CA . 36331 1 666 . 1 . 1 53 53 VAL CB C 13 33.578 0.300 . 1 . . . . A 53 VAL CB . 36331 1 667 . 1 . 1 53 53 VAL CG1 C 13 21.113 0.300 . 2 . . . . A 53 VAL CG1 . 36331 1 668 . 1 . 1 53 53 VAL CG2 C 13 21.898 0.300 . 2 . . . . A 53 VAL CG2 . 36331 1 669 . 1 . 1 53 53 VAL N N 15 119.764 0.300 . 1 . . . . A 53 VAL N . 36331 1 670 . 1 . 1 54 54 GLU H H 1 9.175 0.030 . 1 . . . . A 54 GLU H . 36331 1 671 . 1 . 1 54 54 GLU HA H 1 4.701 0.030 . 1 . . . . A 54 GLU HA . 36331 1 672 . 1 . 1 54 54 GLU C C 13 175.126 0.300 . 1 . . . . A 54 GLU C . 36331 1 673 . 1 . 1 54 54 GLU CA C 13 55.000 0.300 . 1 . . . . A 54 GLU CA . 36331 1 674 . 1 . 1 54 54 GLU CB C 13 32.163 0.300 . 1 . . . . A 54 GLU CB . 36331 1 675 . 1 . 1 54 54 GLU CG C 13 36.180 0.300 . 1 . . . . A 54 GLU CG . 36331 1 676 . 1 . 1 54 54 GLU N N 15 127.757 0.300 . 1 . . . . A 54 GLU N . 36331 1 677 . 1 . 1 55 55 ILE H H 1 8.667 0.030 . 1 . . . . A 55 ILE H . 36331 1 678 . 1 . 1 55 55 ILE HA H 1 4.951 0.030 . 1 . . . . A 55 ILE HA . 36331 1 679 . 1 . 1 55 55 ILE HB H 1 1.727 0.030 . 1 . . . . A 55 ILE HB . 36331 1 680 . 1 . 1 55 55 ILE HG12 H 1 1.017 0.030 . 2 . . . . A 55 ILE HG12 . 36331 1 681 . 1 . 1 55 55 ILE HG13 H 1 1.448 0.030 . 2 . . . . A 55 ILE HG13 . 36331 1 682 . 1 . 1 55 55 ILE HG21 H 1 0.716 0.030 . 1 . . . . A 55 ILE HG21 . 36331 1 683 . 1 . 1 55 55 ILE HG22 H 1 0.716 0.030 . 1 . . . . A 55 ILE HG22 . 36331 1 684 . 1 . 1 55 55 ILE HG23 H 1 0.716 0.030 . 1 . . . . A 55 ILE HG23 . 36331 1 685 . 1 . 1 55 55 ILE HD11 H 1 0.716 0.030 . 1 . . . . A 55 ILE HD11 . 36331 1 686 . 1 . 1 55 55 ILE HD12 H 1 0.716 0.030 . 1 . . . . A 55 ILE HD12 . 36331 1 687 . 1 . 1 55 55 ILE HD13 H 1 0.716 0.030 . 1 . . . . A 55 ILE HD13 . 36331 1 688 . 1 . 1 55 55 ILE C C 13 176.132 0.300 . 1 . . . . A 55 ILE C . 36331 1 689 . 1 . 1 55 55 ILE CA C 13 60.061 0.300 . 1 . . . . A 55 ILE CA . 36331 1 690 . 1 . 1 55 55 ILE CB C 13 39.730 0.300 . 1 . . . . A 55 ILE CB . 36331 1 691 . 1 . 1 55 55 ILE CG1 C 13 28.065 0.300 . 1 . . . . A 55 ILE CG1 . 36331 1 692 . 1 . 1 55 55 ILE CG2 C 13 17.988 0.300 . 1 . . . . A 55 ILE CG2 . 36331 1 693 . 1 . 1 55 55 ILE CD1 C 13 13.435 0.300 . 1 . . . . A 55 ILE CD1 . 36331 1 694 . 1 . 1 55 55 ILE N N 15 123.842 0.300 . 1 . . . . A 55 ILE N . 36331 1 695 . 1 . 1 56 56 ARG H H 1 9.103 0.030 . 1 . . . . A 56 ARG H . 36331 1 696 . 1 . 1 56 56 ARG HA H 1 4.766 0.030 . 1 . . . . A 56 ARG HA . 36331 1 697 . 1 . 1 56 56 ARG HB2 H 1 1.594 0.030 . 2 . . . . A 56 ARG HB2 . 36331 1 698 . 1 . 1 56 56 ARG HB3 H 1 1.730 0.030 . 2 . . . . A 56 ARG HB3 . 36331 1 699 . 1 . 1 56 56 ARG HG2 H 1 1.518 0.030 . 1 . . . . A 56 ARG HG2 . 36331 1 700 . 1 . 1 56 56 ARG HG3 H 1 1.518 0.030 . 1 . . . . A 56 ARG HG3 . 36331 1 701 . 1 . 1 56 56 ARG HD2 H 1 3.073 0.030 . 2 . . . . A 56 ARG HD2 . 36331 1 702 . 1 . 1 56 56 ARG HD3 H 1 3.287 0.030 . 2 . . . . A 56 ARG HD3 . 36331 1 703 . 1 . 1 56 56 ARG C C 13 174.024 0.300 . 1 . . . . A 56 ARG C . 36331 1 704 . 1 . 1 56 56 ARG CA C 13 53.796 0.300 . 1 . . . . A 56 ARG CA . 36331 1 705 . 1 . 1 56 56 ARG CB C 13 33.591 0.300 . 1 . . . . A 56 ARG CB . 36331 1 706 . 1 . 1 56 56 ARG CG C 13 26.958 0.300 . 1 . . . . A 56 ARG CG . 36331 1 707 . 1 . 1 56 56 ARG CD C 13 43.007 0.300 . 1 . . . . A 56 ARG CD . 36331 1 708 . 1 . 1 56 56 ARG N N 15 126.632 0.300 . 1 . . . . A 56 ARG N . 36331 1 709 . 1 . 1 57 57 GLU H H 1 8.739 0.030 . 1 . . . . A 57 GLU H . 36331 1 710 . 1 . 1 57 57 GLU HA H 1 4.780 0.030 . 1 . . . . A 57 GLU HA . 36331 1 711 . 1 . 1 57 57 GLU HB2 H 1 1.896 0.030 . 1 . . . . A 57 GLU HB2 . 36331 1 712 . 1 . 1 57 57 GLU HB3 H 1 1.896 0.030 . 1 . . . . A 57 GLU HB3 . 36331 1 713 . 1 . 1 57 57 GLU HG2 H 1 2.012 0.030 . 2 . . . . A 57 GLU HG2 . 36331 1 714 . 1 . 1 57 57 GLU HG3 H 1 2.092 0.030 . 2 . . . . A 57 GLU HG3 . 36331 1 715 . 1 . 1 57 57 GLU C C 13 175.775 0.300 . 1 . . . . A 57 GLU C . 36331 1 716 . 1 . 1 57 57 GLU CA C 13 55.588 0.300 . 1 . . . . A 57 GLU CA . 36331 1 717 . 1 . 1 57 57 GLU CB C 13 31.543 0.300 . 1 . . . . A 57 GLU CB . 36331 1 718 . 1 . 1 57 57 GLU CG C 13 36.542 0.300 . 1 . . . . A 57 GLU CG . 36331 1 719 . 1 . 1 57 57 GLU N N 15 123.996 0.300 . 1 . . . . A 57 GLU N . 36331 1 720 . 1 . 1 58 58 VAL H H 1 8.719 0.030 . 1 . . . . A 58 VAL H . 36331 1 721 . 1 . 1 58 58 VAL HA H 1 4.402 0.030 . 1 . . . . A 58 VAL HA . 36331 1 722 . 1 . 1 58 58 VAL HB H 1 2.099 0.030 . 1 . . . . A 58 VAL HB . 36331 1 723 . 1 . 1 58 58 VAL HG11 H 1 0.820 0.030 . 2 . . . . A 58 VAL HG11 . 36331 1 724 . 1 . 1 58 58 VAL HG12 H 1 0.820 0.030 . 2 . . . . A 58 VAL HG12 . 36331 1 725 . 1 . 1 58 58 VAL HG13 H 1 0.820 0.030 . 2 . . . . A 58 VAL HG13 . 36331 1 726 . 1 . 1 58 58 VAL HG21 H 1 0.837 0.030 . 2 . . . . A 58 VAL HG21 . 36331 1 727 . 1 . 1 58 58 VAL HG22 H 1 0.837 0.030 . 2 . . . . A 58 VAL HG22 . 36331 1 728 . 1 . 1 58 58 VAL HG23 H 1 0.837 0.030 . 2 . . . . A 58 VAL HG23 . 36331 1 729 . 1 . 1 58 58 VAL C C 13 176.209 0.300 . 1 . . . . A 58 VAL C . 36331 1 730 . 1 . 1 58 58 VAL CA C 13 61.308 0.300 . 1 . . . . A 58 VAL CA . 36331 1 731 . 1 . 1 58 58 VAL CB C 13 33.793 0.300 . 1 . . . . A 58 VAL CB . 36331 1 732 . 1 . 1 58 58 VAL CG1 C 13 21.131 0.300 . 2 . . . . A 58 VAL CG1 . 36331 1 733 . 1 . 1 58 58 VAL CG2 C 13 22.849 0.300 . 2 . . . . A 58 VAL CG2 . 36331 1 734 . 1 . 1 58 58 VAL N N 15 121.194 0.300 . 1 . . . . A 58 VAL N . 36331 1 735 . 1 . 1 59 59 THR H H 1 9.071 0.030 . 1 . . . . A 59 THR H . 36331 1 736 . 1 . 1 59 59 THR HA H 1 4.467 0.030 . 1 . . . . A 59 THR HA . 36331 1 737 . 1 . 1 59 59 THR HB H 1 4.340 0.030 . 1 . . . . A 59 THR HB . 36331 1 738 . 1 . 1 59 59 THR HG21 H 1 1.208 0.030 . 1 . . . . A 59 THR HG21 . 36331 1 739 . 1 . 1 59 59 THR HG22 H 1 1.208 0.030 . 1 . . . . A 59 THR HG22 . 36331 1 740 . 1 . 1 59 59 THR HG23 H 1 1.208 0.030 . 1 . . . . A 59 THR HG23 . 36331 1 741 . 1 . 1 59 59 THR C C 13 174.260 0.300 . 1 . . . . A 59 THR C . 36331 1 742 . 1 . 1 59 59 THR CA C 13 62.776 0.300 . 1 . . . . A 59 THR CA . 36331 1 743 . 1 . 1 59 59 THR CB C 13 70.021 0.300 . 1 . . . . A 59 THR CB . 36331 1 744 . 1 . 1 59 59 THR CG2 C 13 21.914 0.300 . 1 . . . . A 59 THR CG2 . 36331 1 745 . 1 . 1 59 59 THR N N 15 117.144 0.300 . 1 . . . . A 59 THR N . 36331 1 746 . 1 . 1 60 60 SER H H 1 7.700 0.030 . 1 . . . . A 60 SER H . 36331 1 747 . 1 . 1 60 60 SER HA H 1 4.776 0.030 . 1 . . . . A 60 SER HA . 36331 1 748 . 1 . 1 60 60 SER HB2 H 1 3.981 0.030 . 2 . . . . A 60 SER HB2 . 36331 1 749 . 1 . 1 60 60 SER HB3 H 1 4.278 0.030 . 2 . . . . A 60 SER HB3 . 36331 1 750 . 1 . 1 60 60 SER CA C 13 56.767 0.300 . 1 . . . . A 60 SER CA . 36331 1 751 . 1 . 1 60 60 SER CB C 13 66.339 0.300 . 1 . . . . A 60 SER CB . 36331 1 752 . 1 . 1 60 60 SER N N 15 114.772 0.300 . 1 . . . . A 60 SER N . 36331 1 753 . 1 . 1 61 61 GLU H H 1 9.133 0.030 . 1 . . . . A 61 GLU H . 36331 1 754 . 1 . 1 61 61 GLU HA H 1 3.822 0.030 . 1 . . . . A 61 GLU HA . 36331 1 755 . 1 . 1 61 61 GLU HB2 H 1 2.055 0.030 . 1 . . . . A 61 GLU HB2 . 36331 1 756 . 1 . 1 61 61 GLU HB3 H 1 2.055 0.030 . 1 . . . . A 61 GLU HB3 . 36331 1 757 . 1 . 1 61 61 GLU HG2 H 1 2.240 0.030 . 1 . . . . A 61 GLU HG2 . 36331 1 758 . 1 . 1 61 61 GLU HG3 H 1 2.240 0.030 . 1 . . . . A 61 GLU HG3 . 36331 1 759 . 1 . 1 61 61 GLU C C 13 177.648 0.300 . 1 . . . . A 61 GLU C . 36331 1 760 . 1 . 1 61 61 GLU CA C 13 60.113 0.300 . 1 . . . . A 61 GLU CA . 36331 1 761 . 1 . 1 61 61 GLU CB C 13 29.887 0.300 . 1 . . . . A 61 GLU CB . 36331 1 762 . 1 . 1 61 61 GLU CG C 13 37.741 0.300 . 1 . . . . A 61 GLU CG . 36331 1 763 . 1 . 1 61 61 GLU N N 15 122.730 0.300 . 1 . . . . A 61 GLU N . 36331 1 764 . 1 . 1 62 62 GLU H H 1 8.759 0.030 . 1 . . . . A 62 GLU H . 36331 1 765 . 1 . 1 62 62 GLU HB2 H 1 1.913 0.030 . 2 . . . . A 62 GLU HB2 . 36331 1 766 . 1 . 1 62 62 GLU HB3 H 1 2.059 0.030 . 2 . . . . A 62 GLU HB3 . 36331 1 767 . 1 . 1 62 62 GLU C C 13 179.082 0.300 . 1 . . . . A 62 GLU C . 36331 1 768 . 1 . 1 62 62 GLU CA C 13 59.844 0.300 . 1 . . . . A 62 GLU CA . 36331 1 769 . 1 . 1 62 62 GLU CB C 13 29.379 0.300 . 1 . . . . A 62 GLU CB . 36331 1 770 . 1 . 1 62 62 GLU N N 15 119.366 0.300 . 1 . . . . A 62 GLU N . 36331 1 771 . 1 . 1 63 63 GLU H H 1 7.779 0.030 . 1 . . . . A 63 GLU H . 36331 1 772 . 1 . 1 63 63 GLU HB2 H 1 1.867 0.030 . 1 . . . . A 63 GLU HB2 . 36331 1 773 . 1 . 1 63 63 GLU HB3 H 1 1.867 0.030 . 1 . . . . A 63 GLU HB3 . 36331 1 774 . 1 . 1 63 63 GLU HG2 H 1 2.267 0.030 . 2 . . . . A 63 GLU HG2 . 36331 1 775 . 1 . 1 63 63 GLU HG3 H 1 2.353 0.030 . 2 . . . . A 63 GLU HG3 . 36331 1 776 . 1 . 1 63 63 GLU C C 13 177.950 0.300 . 1 . . . . A 63 GLU C . 36331 1 777 . 1 . 1 63 63 GLU CA C 13 58.908 0.300 . 1 . . . . A 63 GLU CA . 36331 1 778 . 1 . 1 63 63 GLU CB C 13 30.372 0.300 . 1 . . . . A 63 GLU CB . 36331 1 779 . 1 . 1 63 63 GLU CG C 13 33.861 0.300 . 1 . . . . A 63 GLU CG . 36331 1 780 . 1 . 1 63 63 GLU N N 15 120.026 0.300 . 1 . . . . A 63 GLU N . 36331 1 781 . 1 . 1 64 64 LEU H H 1 7.702 0.030 . 1 . . . . A 64 LEU H . 36331 1 782 . 1 . 1 64 64 LEU HA H 1 3.817 0.030 . 1 . . . . A 64 LEU HA . 36331 1 783 . 1 . 1 64 64 LEU HB2 H 1 1.568 0.030 . 2 . . . . A 64 LEU HB2 . 36331 1 784 . 1 . 1 64 64 LEU HB3 H 1 2.207 0.030 . 2 . . . . A 64 LEU HB3 . 36331 1 785 . 1 . 1 64 64 LEU HG H 1 1.468 0.030 . 1 . . . . A 64 LEU HG . 36331 1 786 . 1 . 1 64 64 LEU HD11 H 1 0.818 0.030 . 1 . . . . A 64 LEU HD11 . 36331 1 787 . 1 . 1 64 64 LEU HD12 H 1 0.818 0.030 . 1 . . . . A 64 LEU HD12 . 36331 1 788 . 1 . 1 64 64 LEU HD13 H 1 0.818 0.030 . 1 . . . . A 64 LEU HD13 . 36331 1 789 . 1 . 1 64 64 LEU HD21 H 1 0.805 0.030 . 1 . . . . A 64 LEU HD21 . 36331 1 790 . 1 . 1 64 64 LEU HD22 H 1 0.805 0.030 . 1 . . . . A 64 LEU HD22 . 36331 1 791 . 1 . 1 64 64 LEU HD23 H 1 0.805 0.030 . 1 . . . . A 64 LEU HD23 . 36331 1 792 . 1 . 1 64 64 LEU C C 13 177.455 0.300 . 1 . . . . A 64 LEU C . 36331 1 793 . 1 . 1 64 64 LEU CA C 13 58.662 0.300 . 1 . . . . A 64 LEU CA . 36331 1 794 . 1 . 1 64 64 LEU CB C 13 42.071 0.300 . 1 . . . . A 64 LEU CB . 36331 1 795 . 1 . 1 64 64 LEU CD1 C 13 24.725 0.300 . 1 . . . . A 64 LEU CD1 . 36331 1 796 . 1 . 1 64 64 LEU CD2 C 13 24.725 0.300 . 1 . . . . A 64 LEU CD2 . 36331 1 797 . 1 . 1 64 64 LEU N N 15 119.164 0.300 . 1 . . . . A 64 LEU N . 36331 1 798 . 1 . 1 65 65 GLU H H 1 8.092 0.030 . 1 . . . . A 65 GLU H . 36331 1 799 . 1 . 1 65 65 GLU HA H 1 3.646 0.030 . 1 . . . . A 65 GLU HA . 36331 1 800 . 1 . 1 65 65 GLU HB2 H 1 2.054 0.030 . 1 . . . . A 65 GLU HB2 . 36331 1 801 . 1 . 1 65 65 GLU HB3 H 1 2.054 0.030 . 1 . . . . A 65 GLU HB3 . 36331 1 802 . 1 . 1 65 65 GLU HG2 H 1 2.249 0.030 . 1 . . . . A 65 GLU HG2 . 36331 1 803 . 1 . 1 65 65 GLU HG3 H 1 2.249 0.030 . 1 . . . . A 65 GLU HG3 . 36331 1 804 . 1 . 1 65 65 GLU C C 13 177.447 0.300 . 1 . . . . A 65 GLU C . 36331 1 805 . 1 . 1 65 65 GLU CA C 13 60.423 0.300 . 1 . . . . A 65 GLU CA . 36331 1 806 . 1 . 1 65 65 GLU CB C 13 29.970 0.300 . 1 . . . . A 65 GLU CB . 36331 1 807 . 1 . 1 65 65 GLU N N 15 117.271 0.300 . 1 . . . . A 65 GLU N . 36331 1 808 . 1 . 1 66 66 LYS H H 1 7.696 0.030 . 1 . . . . A 66 LYS H . 36331 1 809 . 1 . 1 66 66 LYS HA H 1 3.904 0.030 . 1 . . . . A 66 LYS HA . 36331 1 810 . 1 . 1 66 66 LYS HB2 H 1 1.884 0.030 . 1 . . . . A 66 LYS HB2 . 36331 1 811 . 1 . 1 66 66 LYS HB3 H 1 1.884 0.030 . 1 . . . . A 66 LYS HB3 . 36331 1 812 . 1 . 1 66 66 LYS HG2 H 1 1.381 0.030 . 1 . . . . A 66 LYS HG2 . 36331 1 813 . 1 . 1 66 66 LYS HG3 H 1 1.381 0.030 . 1 . . . . A 66 LYS HG3 . 36331 1 814 . 1 . 1 66 66 LYS HD2 H 1 1.638 0.030 . 1 . . . . A 66 LYS HD2 . 36331 1 815 . 1 . 1 66 66 LYS HD3 H 1 1.638 0.030 . 1 . . . . A 66 LYS HD3 . 36331 1 816 . 1 . 1 66 66 LYS HE2 H 1 2.928 0.030 . 1 . . . . A 66 LYS HE2 . 36331 1 817 . 1 . 1 66 66 LYS HE3 H 1 2.928 0.030 . 1 . . . . A 66 LYS HE3 . 36331 1 818 . 1 . 1 66 66 LYS C C 13 179.934 0.300 . 1 . . . . A 66 LYS C . 36331 1 819 . 1 . 1 66 66 LYS CA C 13 59.929 0.300 . 1 . . . . A 66 LYS CA . 36331 1 820 . 1 . 1 66 66 LYS CB C 13 32.734 0.300 . 1 . . . . A 66 LYS CB . 36331 1 821 . 1 . 1 66 66 LYS CG C 13 25.367 0.300 . 1 . . . . A 66 LYS CG . 36331 1 822 . 1 . 1 66 66 LYS CE C 13 42.103 0.300 . 1 . . . . A 66 LYS CE . 36331 1 823 . 1 . 1 66 66 LYS N N 15 117.634 0.300 . 1 . . . . A 66 LYS N . 36331 1 824 . 1 . 1 67 67 ILE H H 1 8.310 0.030 . 1 . . . . A 67 ILE H . 36331 1 825 . 1 . 1 67 67 ILE HA H 1 3.713 0.030 . 1 . . . . A 67 ILE HA . 36331 1 826 . 1 . 1 67 67 ILE HB H 1 1.779 0.030 . 1 . . . . A 67 ILE HB . 36331 1 827 . 1 . 1 67 67 ILE HG12 H 1 1.107 0.030 . 2 . . . . A 67 ILE HG12 . 36331 1 828 . 1 . 1 67 67 ILE HG13 H 1 1.663 0.030 . 2 . . . . A 67 ILE HG13 . 36331 1 829 . 1 . 1 67 67 ILE HG21 H 1 0.760 0.030 . 1 . . . . A 67 ILE HG21 . 36331 1 830 . 1 . 1 67 67 ILE HG22 H 1 0.760 0.030 . 1 . . . . A 67 ILE HG22 . 36331 1 831 . 1 . 1 67 67 ILE HG23 H 1 0.760 0.030 . 1 . . . . A 67 ILE HG23 . 36331 1 832 . 1 . 1 67 67 ILE HD11 H 1 0.765 0.030 . 1 . . . . A 67 ILE HD11 . 36331 1 833 . 1 . 1 67 67 ILE HD12 H 1 0.765 0.030 . 1 . . . . A 67 ILE HD12 . 36331 1 834 . 1 . 1 67 67 ILE HD13 H 1 0.765 0.030 . 1 . . . . A 67 ILE HD13 . 36331 1 835 . 1 . 1 67 67 ILE C C 13 177.827 0.300 . 1 . . . . A 67 ILE C . 36331 1 836 . 1 . 1 67 67 ILE CA C 13 64.245 0.300 . 1 . . . . A 67 ILE CA . 36331 1 837 . 1 . 1 67 67 ILE CB C 13 38.083 0.300 . 1 . . . . A 67 ILE CB . 36331 1 838 . 1 . 1 67 67 ILE CG1 C 13 29.215 0.300 . 1 . . . . A 67 ILE CG1 . 36331 1 839 . 1 . 1 67 67 ILE CG2 C 13 17.602 0.300 . 1 . . . . A 67 ILE CG2 . 36331 1 840 . 1 . 1 67 67 ILE CD1 C 13 14.047 0.300 . 1 . . . . A 67 ILE CD1 . 36331 1 841 . 1 . 1 67 67 ILE N N 15 118.884 0.300 . 1 . . . . A 67 ILE N . 36331 1 842 . 1 . 1 68 68 LEU H H 1 8.017 0.030 . 1 . . . . A 68 LEU H . 36331 1 843 . 1 . 1 68 68 LEU HA H 1 3.882 0.030 . 1 . . . . A 68 LEU HA . 36331 1 844 . 1 . 1 68 68 LEU HB2 H 1 1.101 0.030 . 2 . . . . A 68 LEU HB2 . 36331 1 845 . 1 . 1 68 68 LEU HB3 H 1 1.799 0.030 . 2 . . . . A 68 LEU HB3 . 36331 1 846 . 1 . 1 68 68 LEU HG H 1 2.000 0.030 . 1 . . . . A 68 LEU HG . 36331 1 847 . 1 . 1 68 68 LEU HD11 H 1 0.682 0.030 . 2 . . . . A 68 LEU HD11 . 36331 1 848 . 1 . 1 68 68 LEU HD12 H 1 0.682 0.030 . 2 . . . . A 68 LEU HD12 . 36331 1 849 . 1 . 1 68 68 LEU HD13 H 1 0.682 0.030 . 2 . . . . A 68 LEU HD13 . 36331 1 850 . 1 . 1 68 68 LEU HD21 H 1 0.773 0.030 . 2 . . . . A 68 LEU HD21 . 36331 1 851 . 1 . 1 68 68 LEU HD22 H 1 0.773 0.030 . 2 . . . . A 68 LEU HD22 . 36331 1 852 . 1 . 1 68 68 LEU HD23 H 1 0.773 0.030 . 2 . . . . A 68 LEU HD23 . 36331 1 853 . 1 . 1 68 68 LEU C C 13 179.099 0.300 . 1 . . . . A 68 LEU C . 36331 1 854 . 1 . 1 68 68 LEU CA C 13 58.040 0.300 . 1 . . . . A 68 LEU CA . 36331 1 855 . 1 . 1 68 68 LEU CB C 13 40.615 0.300 . 1 . . . . A 68 LEU CB . 36331 1 856 . 1 . 1 68 68 LEU CG C 13 26.838 0.300 . 1 . . . . A 68 LEU CG . 36331 1 857 . 1 . 1 68 68 LEU CD1 C 13 22.728 0.300 . 2 . . . . A 68 LEU CD1 . 36331 1 858 . 1 . 1 68 68 LEU CD2 C 13 27.570 0.300 . 2 . . . . A 68 LEU CD2 . 36331 1 859 . 1 . 1 68 68 LEU N N 15 117.359 0.300 . 1 . . . . A 68 LEU N . 36331 1 860 . 1 . 1 69 69 LYS H H 1 8.405 0.030 . 1 . . . . A 69 LYS H . 36331 1 861 . 1 . 1 69 69 LYS HA H 1 4.076 0.030 . 1 . . . . A 69 LYS HA . 36331 1 862 . 1 . 1 69 69 LYS HB2 H 1 1.808 0.030 . 1 . . . . A 69 LYS HB2 . 36331 1 863 . 1 . 1 69 69 LYS HB3 H 1 1.808 0.030 . 1 . . . . A 69 LYS HB3 . 36331 1 864 . 1 . 1 69 69 LYS HG2 H 1 1.622 0.030 . 1 . . . . A 69 LYS HG2 . 36331 1 865 . 1 . 1 69 69 LYS HG3 H 1 1.622 0.030 . 1 . . . . A 69 LYS HG3 . 36331 1 866 . 1 . 1 69 69 LYS HD2 H 1 1.628 0.030 . 1 . . . . A 69 LYS HD2 . 36331 1 867 . 1 . 1 69 69 LYS HD3 H 1 1.628 0.030 . 1 . . . . A 69 LYS HD3 . 36331 1 868 . 1 . 1 69 69 LYS HE2 H 1 2.924 0.030 . 1 . . . . A 69 LYS HE2 . 36331 1 869 . 1 . 1 69 69 LYS HE3 H 1 2.924 0.030 . 1 . . . . A 69 LYS HE3 . 36331 1 870 . 1 . 1 69 69 LYS C C 13 181.048 0.300 . 1 . . . . A 69 LYS C . 36331 1 871 . 1 . 1 69 69 LYS CA C 13 59.702 0.300 . 1 . . . . A 69 LYS CA . 36331 1 872 . 1 . 1 69 69 LYS CB C 13 32.161 0.300 . 1 . . . . A 69 LYS CB . 36331 1 873 . 1 . 1 69 69 LYS CG C 13 25.851 0.300 . 1 . . . . A 69 LYS CG . 36331 1 874 . 1 . 1 69 69 LYS CE C 13 42.101 0.300 . 1 . . . . A 69 LYS CE . 36331 1 875 . 1 . 1 69 69 LYS N N 15 119.149 0.300 . 1 . . . . A 69 LYS N . 36331 1 876 . 1 . 1 70 70 LYS H H 1 7.683 0.030 . 1 . . . . A 70 LYS H . 36331 1 877 . 1 . 1 70 70 LYS HA H 1 4.038 0.030 . 1 . . . . A 70 LYS HA . 36331 1 878 . 1 . 1 70 70 LYS HB2 H 1 1.944 0.030 . 1 . . . . A 70 LYS HB2 . 36331 1 879 . 1 . 1 70 70 LYS HB3 H 1 1.944 0.030 . 1 . . . . A 70 LYS HB3 . 36331 1 880 . 1 . 1 70 70 LYS HG2 H 1 1.501 0.030 . 1 . . . . A 70 LYS HG2 . 36331 1 881 . 1 . 1 70 70 LYS HG3 H 1 1.501 0.030 . 1 . . . . A 70 LYS HG3 . 36331 1 882 . 1 . 1 70 70 LYS HE2 H 1 2.930 0.030 . 1 . . . . A 70 LYS HE2 . 36331 1 883 . 1 . 1 70 70 LYS HE3 H 1 2.930 0.030 . 1 . . . . A 70 LYS HE3 . 36331 1 884 . 1 . 1 70 70 LYS C C 13 178.272 0.300 . 1 . . . . A 70 LYS C . 36331 1 885 . 1 . 1 70 70 LYS CA C 13 59.101 0.300 . 1 . . . . A 70 LYS CA . 36331 1 886 . 1 . 1 70 70 LYS CB C 13 31.935 0.300 . 1 . . . . A 70 LYS CB . 36331 1 887 . 1 . 1 70 70 LYS CG C 13 25.092 0.300 . 1 . . . . A 70 LYS CG . 36331 1 888 . 1 . 1 70 70 LYS CE C 13 42.067 0.300 . 1 . . . . A 70 LYS CE . 36331 1 889 . 1 . 1 70 70 LYS N N 15 121.566 0.300 . 1 . . . . A 70 LYS N . 36331 1 890 . 1 . 1 71 71 LEU H H 1 7.391 0.030 . 1 . . . . A 71 LEU H . 36331 1 891 . 1 . 1 71 71 LEU HA H 1 4.105 0.030 . 1 . . . . A 71 LEU HA . 36331 1 892 . 1 . 1 71 71 LEU HB2 H 1 1.315 0.030 . 2 . . . . A 71 LEU HB2 . 36331 1 893 . 1 . 1 71 71 LEU HB3 H 1 1.586 0.030 . 2 . . . . A 71 LEU HB3 . 36331 1 894 . 1 . 1 71 71 LEU HG H 1 1.634 0.030 . 1 . . . . A 71 LEU HG . 36331 1 895 . 1 . 1 71 71 LEU HD11 H 1 0.252 0.030 . 2 . . . . A 71 LEU HD11 . 36331 1 896 . 1 . 1 71 71 LEU HD12 H 1 0.252 0.030 . 2 . . . . A 71 LEU HD12 . 36331 1 897 . 1 . 1 71 71 LEU HD13 H 1 0.252 0.030 . 2 . . . . A 71 LEU HD13 . 36331 1 898 . 1 . 1 71 71 LEU HD21 H 1 0.405 0.030 . 2 . . . . A 71 LEU HD21 . 36331 1 899 . 1 . 1 71 71 LEU HD22 H 1 0.405 0.030 . 2 . . . . A 71 LEU HD22 . 36331 1 900 . 1 . 1 71 71 LEU HD23 H 1 0.405 0.030 . 2 . . . . A 71 LEU HD23 . 36331 1 901 . 1 . 1 71 71 LEU C C 13 176.772 0.300 . 1 . . . . A 71 LEU C . 36331 1 902 . 1 . 1 71 71 LEU CA C 13 54.906 0.300 . 1 . . . . A 71 LEU CA . 36331 1 903 . 1 . 1 71 71 LEU CB C 13 42.162 0.300 . 1 . . . . A 71 LEU CB . 36331 1 904 . 1 . 1 71 71 LEU CG C 13 26.312 0.300 . 1 . . . . A 71 LEU CG . 36331 1 905 . 1 . 1 71 71 LEU CD1 C 13 21.183 0.300 . 2 . . . . A 71 LEU CD1 . 36331 1 906 . 1 . 1 71 71 LEU CD2 C 13 25.516 0.300 . 2 . . . . A 71 LEU CD2 . 36331 1 907 . 1 . 1 71 71 LEU N N 15 116.769 0.300 . 1 . . . . A 71 LEU N . 36331 1 908 . 1 . 1 72 72 GLY H H 1 7.686 0.030 . 1 . . . . A 72 GLY H . 36331 1 909 . 1 . 1 72 72 GLY HA2 H 1 3.765 0.030 . 1 . . . . A 72 GLY HA2 . 36331 1 910 . 1 . 1 72 72 GLY HA3 H 1 3.765 0.030 . 1 . . . . A 72 GLY HA3 . 36331 1 911 . 1 . 1 72 72 GLY CA C 13 46.150 0.300 . 1 . . . . A 72 GLY CA . 36331 1 912 . 1 . 1 72 72 GLY N N 15 107.132 0.300 . 1 . . . . A 72 GLY N . 36331 1 913 . 1 . 1 73 73 VAL H H 1 7.519 0.030 . 1 . . . . A 73 VAL H . 36331 1 914 . 1 . 1 73 73 VAL HA H 1 3.819 0.030 . 1 . . . . A 73 VAL HA . 36331 1 915 . 1 . 1 73 73 VAL HB H 1 1.688 0.030 . 1 . . . . A 73 VAL HB . 36331 1 916 . 1 . 1 73 73 VAL HG11 H 1 1.023 0.030 . 2 . . . . A 73 VAL HG11 . 36331 1 917 . 1 . 1 73 73 VAL HG12 H 1 1.023 0.030 . 2 . . . . A 73 VAL HG12 . 36331 1 918 . 1 . 1 73 73 VAL HG13 H 1 1.023 0.030 . 2 . . . . A 73 VAL HG13 . 36331 1 919 . 1 . 1 73 73 VAL HG21 H 1 0.866 0.030 . 2 . . . . A 73 VAL HG21 . 36331 1 920 . 1 . 1 73 73 VAL HG22 H 1 0.866 0.030 . 2 . . . . A 73 VAL HG22 . 36331 1 921 . 1 . 1 73 73 VAL HG23 H 1 0.866 0.030 . 2 . . . . A 73 VAL HG23 . 36331 1 922 . 1 . 1 73 73 VAL C C 13 174.647 0.300 . 1 . . . . A 73 VAL C . 36331 1 923 . 1 . 1 73 73 VAL CA C 13 62.564 0.300 . 1 . . . . A 73 VAL CA . 36331 1 924 . 1 . 1 73 73 VAL CB C 13 31.928 0.300 . 1 . . . . A 73 VAL CB . 36331 1 925 . 1 . 1 73 73 VAL CG1 C 13 22.449 0.300 . 2 . . . . A 73 VAL CG1 . 36331 1 926 . 1 . 1 73 73 VAL CG2 C 13 22.399 0.300 . 2 . . . . A 73 VAL CG2 . 36331 1 927 . 1 . 1 73 73 VAL N N 15 120.555 0.300 . 1 . . . . A 73 VAL N . 36331 1 928 . 1 . 1 74 74 ASP H H 1 8.196 0.030 . 1 . . . . A 74 ASP H . 36331 1 929 . 1 . 1 74 74 ASP HA H 1 4.419 0.030 . 1 . . . . A 74 ASP HA . 36331 1 930 . 1 . 1 74 74 ASP HB2 H 1 2.728 0.030 . 1 . . . . A 74 ASP HB2 . 36331 1 931 . 1 . 1 74 74 ASP HB3 H 1 2.728 0.030 . 1 . . . . A 74 ASP HB3 . 36331 1 932 . 1 . 1 74 74 ASP C C 13 177.145 0.300 . 1 . . . . A 74 ASP C . 36331 1 933 . 1 . 1 74 74 ASP CA C 13 54.988 0.300 . 1 . . . . A 74 ASP CA . 36331 1 934 . 1 . 1 74 74 ASP CB C 13 42.822 0.300 . 1 . . . . A 74 ASP CB . 36331 1 935 . 1 . 1 74 74 ASP N N 15 124.754 0.300 . 1 . . . . A 74 ASP N . 36331 1 936 . 1 . 1 75 75 GLU H H 1 8.801 0.030 . 1 . . . . A 75 GLU H . 36331 1 937 . 1 . 1 75 75 GLU HA H 1 3.835 0.030 . 1 . . . . A 75 GLU HA . 36331 1 938 . 1 . 1 75 75 GLU HB2 H 1 2.060 0.030 . 1 . . . . A 75 GLU HB2 . 36331 1 939 . 1 . 1 75 75 GLU HB3 H 1 2.060 0.030 . 1 . . . . A 75 GLU HB3 . 36331 1 940 . 1 . 1 75 75 GLU HG2 H 1 2.298 0.030 . 1 . . . . A 75 GLU HG2 . 36331 1 941 . 1 . 1 75 75 GLU HG3 H 1 2.298 0.030 . 1 . . . . A 75 GLU HG3 . 36331 1 942 . 1 . 1 75 75 GLU C C 13 178.284 0.300 . 1 . . . . A 75 GLU C . 36331 1 943 . 1 . 1 75 75 GLU CA C 13 60.086 0.300 . 1 . . . . A 75 GLU CA . 36331 1 944 . 1 . 1 75 75 GLU CB C 13 29.469 0.300 . 1 . . . . A 75 GLU CB . 36331 1 945 . 1 . 1 75 75 GLU CG C 13 36.282 0.300 . 1 . . . . A 75 GLU CG . 36331 1 946 . 1 . 1 75 75 GLU N N 15 123.046 0.300 . 1 . . . . A 75 GLU N . 36331 1 947 . 1 . 1 76 76 GLU H H 1 8.919 0.030 . 1 . . . . A 76 GLU H . 36331 1 948 . 1 . 1 76 76 GLU HG2 H 1 2.286 0.030 . 1 . . . . A 76 GLU HG2 . 36331 1 949 . 1 . 1 76 76 GLU HG3 H 1 2.286 0.030 . 1 . . . . A 76 GLU HG3 . 36331 1 950 . 1 . 1 76 76 GLU C C 13 179.411 0.300 . 1 . . . . A 76 GLU C . 36331 1 951 . 1 . 1 76 76 GLU CA C 13 59.689 0.300 . 1 . . . . A 76 GLU CA . 36331 1 952 . 1 . 1 76 76 GLU CB C 13 28.984 0.300 . 1 . . . . A 76 GLU CB . 36331 1 953 . 1 . 1 76 76 GLU CG C 13 36.299 0.300 . 1 . . . . A 76 GLU CG . 36331 1 954 . 1 . 1 76 76 GLU N N 15 119.218 0.300 . 1 . . . . A 76 GLU N . 36331 1 955 . 1 . 1 77 77 ILE H H 1 7.427 0.030 . 1 . . . . A 77 ILE H . 36331 1 956 . 1 . 1 77 77 ILE HA H 1 3.747 0.030 . 1 . . . . A 77 ILE HA . 36331 1 957 . 1 . 1 77 77 ILE HB H 1 2.067 0.030 . 1 . . . . A 77 ILE HB . 36331 1 958 . 1 . 1 77 77 ILE HG12 H 1 1.233 0.030 . 1 . . . . A 77 ILE HG12 . 36331 1 959 . 1 . 1 77 77 ILE HG13 H 1 1.233 0.030 . 1 . . . . A 77 ILE HG13 . 36331 1 960 . 1 . 1 77 77 ILE HG21 H 1 0.835 0.030 . 1 . . . . A 77 ILE HG21 . 36331 1 961 . 1 . 1 77 77 ILE HG22 H 1 0.835 0.030 . 1 . . . . A 77 ILE HG22 . 36331 1 962 . 1 . 1 77 77 ILE HG23 H 1 0.835 0.030 . 1 . . . . A 77 ILE HG23 . 36331 1 963 . 1 . 1 77 77 ILE HD11 H 1 0.845 0.030 . 1 . . . . A 77 ILE HD11 . 36331 1 964 . 1 . 1 77 77 ILE HD12 H 1 0.845 0.030 . 1 . . . . A 77 ILE HD12 . 36331 1 965 . 1 . 1 77 77 ILE HD13 H 1 0.845 0.030 . 1 . . . . A 77 ILE HD13 . 36331 1 966 . 1 . 1 77 77 ILE C C 13 177.949 0.300 . 1 . . . . A 77 ILE C . 36331 1 967 . 1 . 1 77 77 ILE CA C 13 63.923 0.300 . 1 . . . . A 77 ILE CA . 36331 1 968 . 1 . 1 77 77 ILE CB C 13 36.458 0.300 . 1 . . . . A 77 ILE CB . 36331 1 969 . 1 . 1 77 77 ILE CG1 C 13 28.684 0.300 . 1 . . . . A 77 ILE CG1 . 36331 1 970 . 1 . 1 77 77 ILE CG2 C 13 18.616 0.300 . 1 . . . . A 77 ILE CG2 . 36331 1 971 . 1 . 1 77 77 ILE CD1 C 13 11.748 0.300 . 1 . . . . A 77 ILE CD1 . 36331 1 972 . 1 . 1 77 77 ILE N N 15 120.745 0.300 . 1 . . . . A 77 ILE N . 36331 1 973 . 1 . 1 78 78 ILE H H 1 7.951 0.030 . 1 . . . . A 78 ILE H . 36331 1 974 . 1 . 1 78 78 ILE HA H 1 3.257 0.030 . 1 . . . . A 78 ILE HA . 36331 1 975 . 1 . 1 78 78 ILE HB H 1 1.977 0.030 . 1 . . . . A 78 ILE HB . 36331 1 976 . 1 . 1 78 78 ILE HG12 H 1 0.626 0.030 . 1 . . . . A 78 ILE HG12 . 36331 1 977 . 1 . 1 78 78 ILE HG13 H 1 0.626 0.030 . 1 . . . . A 78 ILE HG13 . 36331 1 978 . 1 . 1 78 78 ILE HG21 H 1 0.796 0.030 . 1 . . . . A 78 ILE HG21 . 36331 1 979 . 1 . 1 78 78 ILE HG22 H 1 0.796 0.030 . 1 . . . . A 78 ILE HG22 . 36331 1 980 . 1 . 1 78 78 ILE HG23 H 1 0.796 0.030 . 1 . . . . A 78 ILE HG23 . 36331 1 981 . 1 . 1 78 78 ILE HD11 H 1 0.735 0.030 . 1 . . . . A 78 ILE HD11 . 36331 1 982 . 1 . 1 78 78 ILE HD12 H 1 0.735 0.030 . 1 . . . . A 78 ILE HD12 . 36331 1 983 . 1 . 1 78 78 ILE HD13 H 1 0.735 0.030 . 1 . . . . A 78 ILE HD13 . 36331 1 984 . 1 . 1 78 78 ILE C C 13 177.563 0.300 . 1 . . . . A 78 ILE C . 36331 1 985 . 1 . 1 78 78 ILE CA C 13 67.237 0.300 . 1 . . . . A 78 ILE CA . 36331 1 986 . 1 . 1 78 78 ILE CB C 13 37.169 0.300 . 1 . . . . A 78 ILE CB . 36331 1 987 . 1 . 1 78 78 ILE CG1 C 13 28.998 0.300 . 1 . . . . A 78 ILE CG1 . 36331 1 988 . 1 . 1 78 78 ILE CG2 C 13 17.060 0.300 . 1 . . . . A 78 ILE CG2 . 36331 1 989 . 1 . 1 78 78 ILE CD1 C 13 13.494 0.300 . 1 . . . . A 78 ILE CD1 . 36331 1 990 . 1 . 1 78 78 ILE N N 15 120.655 0.300 . 1 . . . . A 78 ILE N . 36331 1 991 . 1 . 1 79 79 ARG H H 1 8.087 0.030 . 1 . . . . A 79 ARG H . 36331 1 992 . 1 . 1 79 79 ARG HA H 1 3.773 0.030 . 1 . . . . A 79 ARG HA . 36331 1 993 . 1 . 1 79 79 ARG HG2 H 1 1.549 0.030 . 2 . . . . A 79 ARG HG2 . 36331 1 994 . 1 . 1 79 79 ARG HG3 H 1 1.835 0.030 . 2 . . . . A 79 ARG HG3 . 36331 1 995 . 1 . 1 79 79 ARG HD2 H 1 3.248 0.030 . 1 . . . . A 79 ARG HD2 . 36331 1 996 . 1 . 1 79 79 ARG HD3 H 1 3.248 0.030 . 1 . . . . A 79 ARG HD3 . 36331 1 997 . 1 . 1 79 79 ARG C C 13 179.173 0.300 . 1 . . . . A 79 ARG C . 36331 1 998 . 1 . 1 79 79 ARG CA C 13 60.556 0.300 . 1 . . . . A 79 ARG CA . 36331 1 999 . 1 . 1 79 79 ARG CB C 13 30.079 0.300 . 1 . . . . A 79 ARG CB . 36331 1 1000 . 1 . 1 79 79 ARG CG C 13 28.272 0.300 . 1 . . . . A 79 ARG CG . 36331 1 1001 . 1 . 1 79 79 ARG CD C 13 43.532 0.300 . 1 . . . . A 79 ARG CD . 36331 1 1002 . 1 . 1 79 79 ARG N N 15 117.399 0.300 . 1 . . . . A 79 ARG N . 36331 1 1003 . 1 . 1 80 80 ARG H H 1 7.552 0.030 . 1 . . . . A 80 ARG H . 36331 1 1004 . 1 . 1 80 80 ARG HA H 1 4.082 0.030 . 1 . . . . A 80 ARG HA . 36331 1 1005 . 1 . 1 80 80 ARG HB2 H 1 1.659 0.030 . 1 . . . . A 80 ARG HB2 . 36331 1 1006 . 1 . 1 80 80 ARG HB3 H 1 1.659 0.030 . 1 . . . . A 80 ARG HB3 . 36331 1 1007 . 1 . 1 80 80 ARG HG2 H 1 1.389 0.030 . 1 . . . . A 80 ARG HG2 . 36331 1 1008 . 1 . 1 80 80 ARG HG3 H 1 1.389 0.030 . 1 . . . . A 80 ARG HG3 . 36331 1 1009 . 1 . 1 80 80 ARG HD2 H 1 3.003 0.030 . 2 . . . . A 80 ARG HD2 . 36331 1 1010 . 1 . 1 80 80 ARG HD3 H 1 3.257 0.030 . 2 . . . . A 80 ARG HD3 . 36331 1 1011 . 1 . 1 80 80 ARG HE H 1 8.778 0.030 . 1 . . . . A 80 ARG HE . 36331 1 1012 . 1 . 1 80 80 ARG C C 13 177.921 0.300 . 1 . . . . A 80 ARG C . 36331 1 1013 . 1 . 1 80 80 ARG CA C 13 59.615 0.300 . 1 . . . . A 80 ARG CA . 36331 1 1014 . 1 . 1 80 80 ARG CB C 13 29.443 0.300 . 1 . . . . A 80 ARG CB . 36331 1 1015 . 1 . 1 80 80 ARG CG C 13 27.685 0.300 . 1 . . . . A 80 ARG CG . 36331 1 1016 . 1 . 1 80 80 ARG CD C 13 43.355 0.300 . 1 . . . . A 80 ARG CD . 36331 1 1017 . 1 . 1 80 80 ARG N N 15 120.577 0.300 . 1 . . . . A 80 ARG N . 36331 1 1018 . 1 . 1 80 80 ARG NE N 15 86.548 0.300 . 1 . . . . A 80 ARG NE . 36331 1 1019 . 1 . 1 81 81 ILE H H 1 8.613 0.030 . 1 . . . . A 81 ILE H . 36331 1 1020 . 1 . 1 81 81 ILE HA H 1 3.549 0.030 . 1 . . . . A 81 ILE HA . 36331 1 1021 . 1 . 1 81 81 ILE HB H 1 1.840 0.030 . 1 . . . . A 81 ILE HB . 36331 1 1022 . 1 . 1 81 81 ILE HG12 H 1 1.212 0.030 . 1 . . . . A 81 ILE HG12 . 36331 1 1023 . 1 . 1 81 81 ILE HG13 H 1 1.212 0.030 . 1 . . . . A 81 ILE HG13 . 36331 1 1024 . 1 . 1 81 81 ILE HG21 H 1 0.811 0.030 . 1 . . . . A 81 ILE HG21 . 36331 1 1025 . 1 . 1 81 81 ILE HG22 H 1 0.811 0.030 . 1 . . . . A 81 ILE HG22 . 36331 1 1026 . 1 . 1 81 81 ILE HG23 H 1 0.811 0.030 . 1 . . . . A 81 ILE HG23 . 36331 1 1027 . 1 . 1 81 81 ILE HD11 H 1 0.730 0.030 . 1 . . . . A 81 ILE HD11 . 36331 1 1028 . 1 . 1 81 81 ILE HD12 H 1 0.730 0.030 . 1 . . . . A 81 ILE HD12 . 36331 1 1029 . 1 . 1 81 81 ILE HD13 H 1 0.730 0.030 . 1 . . . . A 81 ILE HD13 . 36331 1 1030 . 1 . 1 81 81 ILE C C 13 178.015 0.300 . 1 . . . . A 81 ILE C . 36331 1 1031 . 1 . 1 81 81 ILE CA C 13 64.772 0.300 . 1 . . . . A 81 ILE CA . 36331 1 1032 . 1 . 1 81 81 ILE CB C 13 36.179 0.300 . 1 . . . . A 81 ILE CB . 36331 1 1033 . 1 . 1 81 81 ILE CG1 C 13 29.139 0.300 . 1 . . . . A 81 ILE CG1 . 36331 1 1034 . 1 . 1 81 81 ILE CD1 C 13 12.999 0.300 . 1 . . . . A 81 ILE CD1 . 36331 1 1035 . 1 . 1 81 81 ILE N N 15 119.434 0.300 . 1 . . . . A 81 ILE N . 36331 1 1036 . 1 . 1 82 82 LYS H H 1 8.530 0.030 . 1 . . . . A 82 LYS H . 36331 1 1037 . 1 . 1 82 82 LYS HA H 1 3.778 0.030 . 1 . . . . A 82 LYS HA . 36331 1 1038 . 1 . 1 82 82 LYS HB2 H 1 1.841 0.030 . 1 . . . . A 82 LYS HB2 . 36331 1 1039 . 1 . 1 82 82 LYS HB3 H 1 1.841 0.030 . 1 . . . . A 82 LYS HB3 . 36331 1 1040 . 1 . 1 82 82 LYS HG2 H 1 1.213 0.030 . 1 . . . . A 82 LYS HG2 . 36331 1 1041 . 1 . 1 82 82 LYS HG3 H 1 1.213 0.030 . 1 . . . . A 82 LYS HG3 . 36331 1 1042 . 1 . 1 82 82 LYS HD2 H 1 1.213 0.030 . 1 . . . . A 82 LYS HD2 . 36331 1 1043 . 1 . 1 82 82 LYS HD3 H 1 1.213 0.030 . 1 . . . . A 82 LYS HD3 . 36331 1 1044 . 1 . 1 82 82 LYS HE2 H 1 2.703 0.030 . 1 . . . . A 82 LYS HE2 . 36331 1 1045 . 1 . 1 82 82 LYS HE3 H 1 2.703 0.030 . 1 . . . . A 82 LYS HE3 . 36331 1 1046 . 1 . 1 82 82 LYS CA C 13 60.676 0.300 . 1 . . . . A 82 LYS CA . 36331 1 1047 . 1 . 1 82 82 LYS CB C 13 32.684 0.300 . 1 . . . . A 82 LYS CB . 36331 1 1048 . 1 . 1 82 82 LYS CG C 13 26.764 0.300 . 1 . . . . A 82 LYS CG . 36331 1 1049 . 1 . 1 82 82 LYS CD C 13 26.763 0.300 . 1 . . . . A 82 LYS CD . 36331 1 1050 . 1 . 1 82 82 LYS CE C 13 41.729 0.300 . 1 . . . . A 82 LYS CE . 36331 1 1051 . 1 . 1 82 82 LYS N N 15 119.141 0.300 . 1 . . . . A 82 LYS N . 36331 1 1052 . 1 . 1 83 83 ARG H H 1 7.518 0.030 . 1 . . . . A 83 ARG H . 36331 1 1053 . 1 . 1 83 83 ARG HB2 H 1 1.913 0.030 . 1 . . . . A 83 ARG HB2 . 36331 1 1054 . 1 . 1 83 83 ARG HB3 H 1 1.913 0.030 . 1 . . . . A 83 ARG HB3 . 36331 1 1055 . 1 . 1 83 83 ARG HG2 H 1 1.390 0.030 . 1 . . . . A 83 ARG HG2 . 36331 1 1056 . 1 . 1 83 83 ARG HG3 H 1 1.390 0.030 . 1 . . . . A 83 ARG HG3 . 36331 1 1057 . 1 . 1 83 83 ARG HD2 H 1 3.004 0.030 . 1 . . . . A 83 ARG HD2 . 36331 1 1058 . 1 . 1 83 83 ARG HD3 H 1 3.004 0.030 . 1 . . . . A 83 ARG HD3 . 36331 1 1059 . 1 . 1 83 83 ARG C C 13 178.047 0.300 . 1 . . . . A 83 ARG C . 36331 1 1060 . 1 . 1 83 83 ARG CA C 13 59.515 0.300 . 1 . . . . A 83 ARG CA . 36331 1 1061 . 1 . 1 83 83 ARG CB C 13 29.560 0.300 . 1 . . . . A 83 ARG CB . 36331 1 1062 . 1 . 1 83 83 ARG CG C 13 27.588 0.300 . 1 . . . . A 83 ARG CG . 36331 1 1063 . 1 . 1 83 83 ARG CD C 13 43.343 0.300 . 1 . . . . A 83 ARG CD . 36331 1 1064 . 1 . 1 83 83 ARG N N 15 120.497 0.300 . 1 . . . . A 83 ARG N . 36331 1 1065 . 1 . 1 84 84 LEU H H 1 8.529 0.030 . 1 . . . . A 84 LEU H . 36331 1 1066 . 1 . 1 84 84 LEU HA H 1 3.991 0.030 . 1 . . . . A 84 LEU HA . 36331 1 1067 . 1 . 1 84 84 LEU HB2 H 1 1.209 0.030 . 2 . . . . A 84 LEU HB2 . 36331 1 1068 . 1 . 1 84 84 LEU HB3 H 1 1.855 0.030 . 2 . . . . A 84 LEU HB3 . 36331 1 1069 . 1 . 1 84 84 LEU HG H 1 1.854 0.030 . 1 . . . . A 84 LEU HG . 36331 1 1070 . 1 . 1 84 84 LEU HD11 H 1 0.792 0.030 . 2 . . . . A 84 LEU HD11 . 36331 1 1071 . 1 . 1 84 84 LEU HD12 H 1 0.792 0.030 . 2 . . . . A 84 LEU HD12 . 36331 1 1072 . 1 . 1 84 84 LEU HD13 H 1 0.792 0.030 . 2 . . . . A 84 LEU HD13 . 36331 1 1073 . 1 . 1 84 84 LEU HD21 H 1 0.775 0.030 . 2 . . . . A 84 LEU HD21 . 36331 1 1074 . 1 . 1 84 84 LEU HD22 H 1 0.775 0.030 . 2 . . . . A 84 LEU HD22 . 36331 1 1075 . 1 . 1 84 84 LEU HD23 H 1 0.775 0.030 . 2 . . . . A 84 LEU HD23 . 36331 1 1076 . 1 . 1 84 84 LEU C C 13 180.754 0.300 . 1 . . . . A 84 LEU C . 36331 1 1077 . 1 . 1 84 84 LEU CA C 13 57.807 0.300 . 1 . . . . A 84 LEU CA . 36331 1 1078 . 1 . 1 84 84 LEU CB C 13 42.076 0.300 . 1 . . . . A 84 LEU CB . 36331 1 1079 . 1 . 1 84 84 LEU CG C 13 26.503 0.300 . 1 . . . . A 84 LEU CG . 36331 1 1080 . 1 . 1 84 84 LEU CD1 C 13 22.548 0.300 . 2 . . . . A 84 LEU CD1 . 36331 1 1081 . 1 . 1 84 84 LEU CD2 C 13 26.353 0.300 . 2 . . . . A 84 LEU CD2 . 36331 1 1082 . 1 . 1 84 84 LEU N N 15 119.095 0.300 . 1 . . . . A 84 LEU N . 36331 1 1083 . 1 . 1 85 85 ARG H H 1 8.683 0.030 . 1 . . . . A 85 ARG H . 36331 1 1084 . 1 . 1 85 85 ARG HA H 1 4.027 0.030 . 1 . . . . A 85 ARG HA . 36331 1 1085 . 1 . 1 85 85 ARG C C 13 178.573 0.300 . 1 . . . . A 85 ARG C . 36331 1 1086 . 1 . 1 85 85 ARG CA C 13 59.069 0.300 . 1 . . . . A 85 ARG CA . 36331 1 1087 . 1 . 1 85 85 ARG CB C 13 29.233 0.300 . 1 . . . . A 85 ARG CB . 36331 1 1088 . 1 . 1 85 85 ARG CD C 13 43.093 0.300 . 1 . . . . A 85 ARG CD . 36331 1 1089 . 1 . 1 85 85 ARG N N 15 120.249 0.300 . 1 . . . . A 85 ARG N . 36331 1 1090 . 1 . 1 86 86 LYS H H 1 7.659 0.030 . 1 . . . . A 86 LYS H . 36331 1 1091 . 1 . 1 86 86 LYS HA H 1 4.033 0.030 . 1 . . . . A 86 LYS HA . 36331 1 1092 . 1 . 1 86 86 LYS HB2 H 1 2.020 0.030 . 1 . . . . A 86 LYS HB2 . 36331 1 1093 . 1 . 1 86 86 LYS HB3 H 1 2.020 0.030 . 1 . . . . A 86 LYS HB3 . 36331 1 1094 . 1 . 1 86 86 LYS HG2 H 1 1.596 0.030 . 1 . . . . A 86 LYS HG2 . 36331 1 1095 . 1 . 1 86 86 LYS HG3 H 1 1.596 0.030 . 1 . . . . A 86 LYS HG3 . 36331 1 1096 . 1 . 1 86 86 LYS HE2 H 1 3.004 0.030 . 2 . . . . A 86 LYS HE2 . 36331 1 1097 . 1 . 1 86 86 LYS HE3 H 1 3.255 0.030 . 2 . . . . A 86 LYS HE3 . 36331 1 1098 . 1 . 1 86 86 LYS C C 13 178.468 0.300 . 1 . . . . A 86 LYS C . 36331 1 1099 . 1 . 1 86 86 LYS CA C 13 59.202 0.300 . 1 . . . . A 86 LYS CA . 36331 1 1100 . 1 . 1 86 86 LYS CB C 13 32.297 0.300 . 1 . . . . A 86 LYS CB . 36331 1 1101 . 1 . 1 86 86 LYS CG C 13 25.089 0.300 . 1 . . . . A 86 LYS CG . 36331 1 1102 . 1 . 1 86 86 LYS CE C 13 43.331 0.300 . 1 . . . . A 86 LYS CE . 36331 1 1103 . 1 . 1 86 86 LYS N N 15 120.934 0.300 . 1 . . . . A 86 LYS N . 36331 1 1104 . 1 . 1 87 87 GLU H H 1 7.929 0.030 . 1 . . . . A 87 GLU H . 36331 1 1105 . 1 . 1 87 87 GLU HA H 1 4.219 0.030 . 1 . . . . A 87 GLU HA . 36331 1 1106 . 1 . 1 87 87 GLU HB2 H 1 1.978 0.030 . 2 . . . . A 87 GLU HB2 . 36331 1 1107 . 1 . 1 87 87 GLU HB3 H 1 2.231 0.030 . 2 . . . . A 87 GLU HB3 . 36331 1 1108 . 1 . 1 87 87 GLU HG2 H 1 2.480 0.030 . 1 . . . . A 87 GLU HG2 . 36331 1 1109 . 1 . 1 87 87 GLU HG3 H 1 2.480 0.030 . 1 . . . . A 87 GLU HG3 . 36331 1 1110 . 1 . 1 87 87 GLU C C 13 177.948 0.300 . 1 . . . . A 87 GLU C . 36331 1 1111 . 1 . 1 87 87 GLU CA C 13 57.257 0.300 . 1 . . . . A 87 GLU CA . 36331 1 1112 . 1 . 1 87 87 GLU CB C 13 30.270 0.300 . 1 . . . . A 87 GLU CB . 36331 1 1113 . 1 . 1 87 87 GLU CG C 13 36.710 0.300 . 1 . . . . A 87 GLU CG . 36331 1 1114 . 1 . 1 87 87 GLU N N 15 116.073 0.300 . 1 . . . . A 87 GLU N . 36331 1 1115 . 1 . 1 88 88 GLY H H 1 7.635 0.030 . 1 . . . . A 88 GLY H . 36331 1 1116 . 1 . 1 88 88 GLY HA2 H 1 3.984 0.030 . 1 . . . . A 88 GLY HA2 . 36331 1 1117 . 1 . 1 88 88 GLY HA3 H 1 3.984 0.030 . 1 . . . . A 88 GLY HA3 . 36331 1 1118 . 1 . 1 88 88 GLY C C 13 174.767 0.300 . 1 . . . . A 88 GLY C . 36331 1 1119 . 1 . 1 88 88 GLY CA C 13 46.601 0.300 . 1 . . . . A 88 GLY CA . 36331 1 1120 . 1 . 1 88 88 GLY N N 15 106.539 0.300 . 1 . . . . A 88 GLY N . 36331 1 1121 . 1 . 1 89 89 GLN H H 1 8.357 0.030 . 1 . . . . A 89 GLN H . 36331 1 1122 . 1 . 1 89 89 GLN HA H 1 4.396 0.030 . 1 . . . . A 89 GLN HA . 36331 1 1123 . 1 . 1 89 89 GLN HB2 H 1 1.857 0.030 . 2 . . . . A 89 GLN HB2 . 36331 1 1124 . 1 . 1 89 89 GLN HB3 H 1 2.262 0.030 . 2 . . . . A 89 GLN HB3 . 36331 1 1125 . 1 . 1 89 89 GLN HG2 H 1 2.265 0.030 . 2 . . . . A 89 GLN HG2 . 36331 1 1126 . 1 . 1 89 89 GLN HG3 H 1 2.351 0.030 . 2 . . . . A 89 GLN HG3 . 36331 1 1127 . 1 . 1 89 89 GLN C C 13 175.431 0.300 . 1 . . . . A 89 GLN C . 36331 1 1128 . 1 . 1 89 89 GLN CA C 13 56.427 0.300 . 1 . . . . A 89 GLN CA . 36331 1 1129 . 1 . 1 89 89 GLN CB C 13 30.368 0.300 . 1 . . . . A 89 GLN CB . 36331 1 1130 . 1 . 1 89 89 GLN CG C 13 33.864 0.300 . 1 . . . . A 89 GLN CG . 36331 1 1131 . 1 . 1 89 89 GLN N N 15 117.834 0.300 . 1 . . . . A 89 GLN N . 36331 1 1132 . 1 . 1 90 90 ILE H H 1 7.744 0.030 . 1 . . . . A 90 ILE H . 36331 1 1133 . 1 . 1 90 90 ILE HA H 1 4.311 0.030 . 1 . . . . A 90 ILE HA . 36331 1 1134 . 1 . 1 90 90 ILE HB H 1 1.795 0.030 . 1 . . . . A 90 ILE HB . 36331 1 1135 . 1 . 1 90 90 ILE HG12 H 1 1.188 0.030 . 2 . . . . A 90 ILE HG12 . 36331 1 1136 . 1 . 1 90 90 ILE HG13 H 1 1.437 0.030 . 2 . . . . A 90 ILE HG13 . 36331 1 1137 . 1 . 1 90 90 ILE HG21 H 1 0.768 0.030 . 1 . . . . A 90 ILE HG21 . 36331 1 1138 . 1 . 1 90 90 ILE HG22 H 1 0.768 0.030 . 1 . . . . A 90 ILE HG22 . 36331 1 1139 . 1 . 1 90 90 ILE HG23 H 1 0.768 0.030 . 1 . . . . A 90 ILE HG23 . 36331 1 1140 . 1 . 1 90 90 ILE HD11 H 1 0.827 0.030 . 1 . . . . A 90 ILE HD11 . 36331 1 1141 . 1 . 1 90 90 ILE HD12 H 1 0.827 0.030 . 1 . . . . A 90 ILE HD12 . 36331 1 1142 . 1 . 1 90 90 ILE HD13 H 1 0.827 0.030 . 1 . . . . A 90 ILE HD13 . 36331 1 1143 . 1 . 1 90 90 ILE C C 13 174.201 0.300 . 1 . . . . A 90 ILE C . 36331 1 1144 . 1 . 1 90 90 ILE CA C 13 59.780 0.300 . 1 . . . . A 90 ILE CA . 36331 1 1145 . 1 . 1 90 90 ILE CB C 13 38.981 0.300 . 1 . . . . A 90 ILE CB . 36331 1 1146 . 1 . 1 90 90 ILE CG1 C 13 27.711 0.300 . 1 . . . . A 90 ILE CG1 . 36331 1 1147 . 1 . 1 90 90 ILE CG2 C 13 17.933 0.300 . 1 . . . . A 90 ILE CG2 . 36331 1 1148 . 1 . 1 90 90 ILE CD1 C 13 13.120 0.300 . 1 . . . . A 90 ILE CD1 . 36331 1 1149 . 1 . 1 90 90 ILE N N 15 116.408 0.300 . 1 . . . . A 90 ILE N . 36331 1 1150 . 1 . 1 91 91 LYS H H 1 8.835 0.030 . 1 . . . . A 91 LYS H . 36331 1 1151 . 1 . 1 91 91 LYS HA H 1 4.453 0.030 . 1 . . . . A 91 LYS HA . 36331 1 1152 . 1 . 1 91 91 LYS HB2 H 1 1.474 0.030 . 2 . . . . A 91 LYS HB2 . 36331 1 1153 . 1 . 1 91 91 LYS HB3 H 1 1.693 0.030 . 2 . . . . A 91 LYS HB3 . 36331 1 1154 . 1 . 1 91 91 LYS HG2 H 1 1.276 0.030 . 1 . . . . A 91 LYS HG2 . 36331 1 1155 . 1 . 1 91 91 LYS HG3 H 1 1.276 0.030 . 1 . . . . A 91 LYS HG3 . 36331 1 1156 . 1 . 1 91 91 LYS HD2 H 1 1.418 0.030 . 1 . . . . A 91 LYS HD2 . 36331 1 1157 . 1 . 1 91 91 LYS HD3 H 1 1.418 0.030 . 1 . . . . A 91 LYS HD3 . 36331 1 1158 . 1 . 1 91 91 LYS HE2 H 1 2.883 0.030 . 1 . . . . A 91 LYS HE2 . 36331 1 1159 . 1 . 1 91 91 LYS HE3 H 1 2.883 0.030 . 1 . . . . A 91 LYS HE3 . 36331 1 1160 . 1 . 1 91 91 LYS C C 13 174.421 0.300 . 1 . . . . A 91 LYS C . 36331 1 1161 . 1 . 1 91 91 LYS CA C 13 56.315 0.300 . 1 . . . . A 91 LYS CA . 36331 1 1162 . 1 . 1 91 91 LYS CB C 13 34.529 0.300 . 1 . . . . A 91 LYS CB . 36331 1 1163 . 1 . 1 91 91 LYS CG C 13 25.254 0.300 . 1 . . . . A 91 LYS CG . 36331 1 1164 . 1 . 1 91 91 LYS CD C 13 28.800 0.300 . 1 . . . . A 91 LYS CD . 36331 1 1165 . 1 . 1 91 91 LYS CE C 13 42.447 0.300 . 1 . . . . A 91 LYS CE . 36331 1 1166 . 1 . 1 91 91 LYS N N 15 123.944 0.300 . 1 . . . . A 91 LYS N . 36331 1 1167 . 1 . 1 92 92 LEU H H 1 7.426 0.030 . 1 . . . . A 92 LEU H . 36331 1 1168 . 1 . 1 92 92 LEU HA H 1 5.464 0.030 . 1 . . . . A 92 LEU HA . 36331 1 1169 . 1 . 1 92 92 LEU HB2 H 1 1.438 0.030 . 1 . . . . A 92 LEU HB2 . 36331 1 1170 . 1 . 1 92 92 LEU HB3 H 1 1.438 0.030 . 1 . . . . A 92 LEU HB3 . 36331 1 1171 . 1 . 1 92 92 LEU HG H 1 1.593 0.030 . 1 . . . . A 92 LEU HG . 36331 1 1172 . 1 . 1 92 92 LEU HD11 H 1 0.666 0.030 . 2 . . . . A 92 LEU HD11 . 36331 1 1173 . 1 . 1 92 92 LEU HD12 H 1 0.666 0.030 . 2 . . . . A 92 LEU HD12 . 36331 1 1174 . 1 . 1 92 92 LEU HD13 H 1 0.666 0.030 . 2 . . . . A 92 LEU HD13 . 36331 1 1175 . 1 . 1 92 92 LEU HD21 H 1 0.761 0.030 . 2 . . . . A 92 LEU HD21 . 36331 1 1176 . 1 . 1 92 92 LEU HD22 H 1 0.761 0.030 . 2 . . . . A 92 LEU HD22 . 36331 1 1177 . 1 . 1 92 92 LEU HD23 H 1 0.761 0.030 . 2 . . . . A 92 LEU HD23 . 36331 1 1178 . 1 . 1 92 92 LEU C C 13 174.496 0.300 . 1 . . . . A 92 LEU C . 36331 1 1179 . 1 . 1 92 92 LEU CA C 13 54.232 0.300 . 1 . . . . A 92 LEU CA . 36331 1 1180 . 1 . 1 92 92 LEU CB C 13 46.073 0.300 . 1 . . . . A 92 LEU CB . 36331 1 1181 . 1 . 1 92 92 LEU CD1 C 13 26.259 0.300 . 2 . . . . A 92 LEU CD1 . 36331 1 1182 . 1 . 1 92 92 LEU CD2 C 13 26.794 0.300 . 2 . . . . A 92 LEU CD2 . 36331 1 1183 . 1 . 1 92 92 LEU N N 15 118.240 0.300 . 1 . . . . A 92 LEU N . 36331 1 1184 . 1 . 1 93 93 VAL H H 1 8.292 0.030 . 1 . . . . A 93 VAL H . 36331 1 1185 . 1 . 1 93 93 VAL HA H 1 5.057 0.030 . 1 . . . . A 93 VAL HA . 36331 1 1186 . 1 . 1 93 93 VAL HB H 1 1.961 0.030 . 1 . . . . A 93 VAL HB . 36331 1 1187 . 1 . 1 93 93 VAL HG11 H 1 0.837 0.030 . 2 . . . . A 93 VAL HG11 . 36331 1 1188 . 1 . 1 93 93 VAL HG12 H 1 0.837 0.030 . 2 . . . . A 93 VAL HG12 . 36331 1 1189 . 1 . 1 93 93 VAL HG13 H 1 0.837 0.030 . 2 . . . . A 93 VAL HG13 . 36331 1 1190 . 1 . 1 93 93 VAL HG21 H 1 0.863 0.030 . 2 . . . . A 93 VAL HG21 . 36331 1 1191 . 1 . 1 93 93 VAL HG22 H 1 0.863 0.030 . 2 . . . . A 93 VAL HG22 . 36331 1 1192 . 1 . 1 93 93 VAL HG23 H 1 0.863 0.030 . 2 . . . . A 93 VAL HG23 . 36331 1 1193 . 1 . 1 93 93 VAL C C 13 174.157 0.300 . 1 . . . . A 93 VAL C . 36331 1 1194 . 1 . 1 93 93 VAL CA C 13 59.335 0.300 . 1 . . . . A 93 VAL CA . 36331 1 1195 . 1 . 1 93 93 VAL CB C 13 34.967 0.300 . 1 . . . . A 93 VAL CB . 36331 1 1196 . 1 . 1 93 93 VAL CG1 C 13 21.146 0.300 . 2 . . . . A 93 VAL CG1 . 36331 1 1197 . 1 . 1 93 93 VAL CG2 C 13 22.862 0.300 . 2 . . . . A 93 VAL CG2 . 36331 1 1198 . 1 . 1 93 93 VAL N N 15 118.103 0.300 . 1 . . . . A 93 VAL N . 36331 1 1199 . 1 . 1 94 94 ILE H H 1 8.844 0.030 . 1 . . . . A 94 ILE H . 36331 1 1200 . 1 . 1 94 94 ILE HA H 1 5.166 0.030 . 1 . . . . A 94 ILE HA . 36331 1 1201 . 1 . 1 94 94 ILE HB H 1 1.668 0.030 . 1 . . . . A 94 ILE HB . 36331 1 1202 . 1 . 1 94 94 ILE HG12 H 1 1.528 0.030 . 1 . . . . A 94 ILE HG12 . 36331 1 1203 . 1 . 1 94 94 ILE HG13 H 1 1.528 0.030 . 1 . . . . A 94 ILE HG13 . 36331 1 1204 . 1 . 1 94 94 ILE HG21 H 1 0.672 0.030 . 1 . . . . A 94 ILE HG21 . 36331 1 1205 . 1 . 1 94 94 ILE HG22 H 1 0.672 0.030 . 1 . . . . A 94 ILE HG22 . 36331 1 1206 . 1 . 1 94 94 ILE HG23 H 1 0.672 0.030 . 1 . . . . A 94 ILE HG23 . 36331 1 1207 . 1 . 1 94 94 ILE HD11 H 1 0.642 0.030 . 1 . . . . A 94 ILE HD11 . 36331 1 1208 . 1 . 1 94 94 ILE HD12 H 1 0.642 0.030 . 1 . . . . A 94 ILE HD12 . 36331 1 1209 . 1 . 1 94 94 ILE HD13 H 1 0.642 0.030 . 1 . . . . A 94 ILE HD13 . 36331 1 1210 . 1 . 1 94 94 ILE C C 13 174.502 0.300 . 1 . . . . A 94 ILE C . 36331 1 1211 . 1 . 1 94 94 ILE CA C 13 59.833 0.300 . 1 . . . . A 94 ILE CA . 36331 1 1212 . 1 . 1 94 94 ILE CB C 13 40.784 0.300 . 1 . . . . A 94 ILE CB . 36331 1 1213 . 1 . 1 94 94 ILE CG1 C 13 27.833 0.300 . 1 . . . . A 94 ILE CG1 . 36331 1 1214 . 1 . 1 94 94 ILE CG2 C 13 16.741 0.300 . 1 . . . . A 94 ILE CG2 . 36331 1 1215 . 1 . 1 94 94 ILE CD1 C 13 13.827 0.300 . 1 . . . . A 94 ILE CD1 . 36331 1 1216 . 1 . 1 94 94 ILE N N 15 123.818 0.300 . 1 . . . . A 94 ILE N . 36331 1 1217 . 1 . 1 95 95 ILE H H 1 9.335 0.030 . 1 . . . . A 95 ILE H . 36331 1 1218 . 1 . 1 95 95 ILE HA H 1 4.941 0.030 . 1 . . . . A 95 ILE HA . 36331 1 1219 . 1 . 1 95 95 ILE HB H 1 1.805 0.030 . 1 . . . . A 95 ILE HB . 36331 1 1220 . 1 . 1 95 95 ILE HG12 H 1 0.909 0.030 . 2 . . . . A 95 ILE HG12 . 36331 1 1221 . 1 . 1 95 95 ILE HG13 H 1 1.529 0.030 . 2 . . . . A 95 ILE HG13 . 36331 1 1222 . 1 . 1 95 95 ILE HG21 H 1 0.862 0.030 . 1 . . . . A 95 ILE HG21 . 36331 1 1223 . 1 . 1 95 95 ILE HG22 H 1 0.862 0.030 . 1 . . . . A 95 ILE HG22 . 36331 1 1224 . 1 . 1 95 95 ILE HG23 H 1 0.862 0.030 . 1 . . . . A 95 ILE HG23 . 36331 1 1225 . 1 . 1 95 95 ILE HD11 H 1 0.719 0.030 . 1 . . . . A 95 ILE HD11 . 36331 1 1226 . 1 . 1 95 95 ILE HD12 H 1 0.719 0.030 . 1 . . . . A 95 ILE HD12 . 36331 1 1227 . 1 . 1 95 95 ILE HD13 H 1 0.719 0.030 . 1 . . . . A 95 ILE HD13 . 36331 1 1228 . 1 . 1 95 95 ILE C C 13 174.247 0.300 . 1 . . . . A 95 ILE C . 36331 1 1229 . 1 . 1 95 95 ILE CA C 13 59.978 0.300 . 1 . . . . A 95 ILE CA . 36331 1 1230 . 1 . 1 95 95 ILE CB C 13 41.403 0.300 . 1 . . . . A 95 ILE CB . 36331 1 1231 . 1 . 1 95 95 ILE CG1 C 13 28.155 0.300 . 1 . . . . A 95 ILE CG1 . 36331 1 1232 . 1 . 1 95 95 ILE CG2 C 13 17.785 0.300 . 1 . . . . A 95 ILE CG2 . 36331 1 1233 . 1 . 1 95 95 ILE CD1 C 13 15.355 0.300 . 1 . . . . A 95 ILE CD1 . 36331 1 1234 . 1 . 1 95 95 ILE N N 15 127.354 0.300 . 1 . . . . A 95 ILE N . 36331 1 1235 . 1 . 1 96 96 GLU H H 1 8.835 0.030 . 1 . . . . A 96 GLU H . 36331 1 1236 . 1 . 1 96 96 GLU HA H 1 4.602 0.030 . 1 . . . . A 96 GLU HA . 36331 1 1237 . 1 . 1 96 96 GLU HB2 H 1 1.950 0.030 . 2 . . . . A 96 GLU HB2 . 36331 1 1238 . 1 . 1 96 96 GLU HB3 H 1 2.372 0.030 . 2 . . . . A 96 GLU HB3 . 36331 1 1239 . 1 . 1 96 96 GLU HG2 H 1 2.319 0.030 . 1 . . . . A 96 GLU HG2 . 36331 1 1240 . 1 . 1 96 96 GLU HG3 H 1 2.319 0.030 . 1 . . . . A 96 GLU HG3 . 36331 1 1241 . 1 . 1 96 96 GLU C C 13 175.767 0.300 . 1 . . . . A 96 GLU C . 36331 1 1242 . 1 . 1 96 96 GLU CA C 13 55.591 0.300 . 1 . . . . A 96 GLU CA . 36331 1 1243 . 1 . 1 96 96 GLU CB C 13 31.914 0.300 . 1 . . . . A 96 GLU CB . 36331 1 1244 . 1 . 1 96 96 GLU N N 15 127.356 0.300 . 1 . . . . A 96 GLU N . 36331 1 1245 . 1 . 1 97 97 GLY H H 1 8.539 0.030 . 1 . . . . A 97 GLY H . 36331 1 1246 . 1 . 1 97 97 GLY HA2 H 1 3.752 0.030 . 2 . . . . A 97 GLY HA2 . 36331 1 1247 . 1 . 1 97 97 GLY HA3 H 1 4.164 0.030 . 2 . . . . A 97 GLY HA3 . 36331 1 1248 . 1 . 1 97 97 GLY C C 13 173.995 0.300 . 1 . . . . A 97 GLY C . 36331 1 1249 . 1 . 1 97 97 GLY CA C 13 46.067 0.300 . 1 . . . . A 97 GLY CA . 36331 1 1250 . 1 . 1 97 97 GLY N N 15 114.324 0.300 . 1 . . . . A 97 GLY N . 36331 1 1251 . 1 . 1 98 98 SER H H 1 8.252 0.030 . 1 . . . . A 98 SER H . 36331 1 1252 . 1 . 1 98 98 SER HA H 1 4.456 0.030 . 1 . . . . A 98 SER HA . 36331 1 1253 . 1 . 1 98 98 SER HB2 H 1 3.840 0.030 . 2 . . . . A 98 SER HB2 . 36331 1 1254 . 1 . 1 98 98 SER HB3 H 1 3.867 0.030 . 2 . . . . A 98 SER HB3 . 36331 1 1255 . 1 . 1 98 98 SER C C 13 174.491 0.300 . 1 . . . . A 98 SER C . 36331 1 1256 . 1 . 1 98 98 SER CA C 13 58.181 0.300 . 1 . . . . A 98 SER CA . 36331 1 1257 . 1 . 1 98 98 SER CB C 13 64.100 0.300 . 1 . . . . A 98 SER CB . 36331 1 1258 . 1 . 1 98 98 SER N N 15 115.241 0.300 . 1 . . . . A 98 SER N . 36331 1 1259 . 1 . 1 99 99 LEU H H 1 8.450 0.030 . 1 . . . . A 99 LEU H . 36331 1 1260 . 1 . 1 99 99 LEU HA H 1 4.308 0.030 . 1 . . . . A 99 LEU HA . 36331 1 1261 . 1 . 1 99 99 LEU HB2 H 1 1.576 0.030 . 1 . . . . A 99 LEU HB2 . 36331 1 1262 . 1 . 1 99 99 LEU HB3 H 1 1.576 0.030 . 1 . . . . A 99 LEU HB3 . 36331 1 1263 . 1 . 1 99 99 LEU HD11 H 1 0.818 0.030 . 2 . . . . A 99 LEU HD11 . 36331 1 1264 . 1 . 1 99 99 LEU HD12 H 1 0.818 0.030 . 2 . . . . A 99 LEU HD12 . 36331 1 1265 . 1 . 1 99 99 LEU HD13 H 1 0.818 0.030 . 2 . . . . A 99 LEU HD13 . 36331 1 1266 . 1 . 1 99 99 LEU HD21 H 1 0.871 0.030 . 2 . . . . A 99 LEU HD21 . 36331 1 1267 . 1 . 1 99 99 LEU HD22 H 1 0.871 0.030 . 2 . . . . A 99 LEU HD22 . 36331 1 1268 . 1 . 1 99 99 LEU HD23 H 1 0.871 0.030 . 2 . . . . A 99 LEU HD23 . 36331 1 1269 . 1 . 1 99 99 LEU C C 13 177.319 0.300 . 1 . . . . A 99 LEU C . 36331 1 1270 . 1 . 1 99 99 LEU CA C 13 55.448 0.300 . 1 . . . . A 99 LEU CA . 36331 1 1271 . 1 . 1 99 99 LEU CB C 13 42.213 0.300 . 1 . . . . A 99 LEU CB . 36331 1 1272 . 1 . 1 99 99 LEU CD1 C 13 23.632 0.300 . 2 . . . . A 99 LEU CD1 . 36331 1 1273 . 1 . 1 99 99 LEU CD2 C 13 25.019 0.300 . 2 . . . . A 99 LEU CD2 . 36331 1 1274 . 1 . 1 99 99 LEU N N 15 124.210 0.300 . 1 . . . . A 99 LEU N . 36331 1 1275 . 1 . 1 100 100 GLU H H 1 8.236 0.030 . 1 . . . . A 100 GLU H . 36331 1 1276 . 1 . 1 100 100 GLU HA H 1 4.178 0.030 . 1 . . . . A 100 GLU HA . 36331 1 1277 . 1 . 1 100 100 GLU HB2 H 1 1.859 0.030 . 1 . . . . A 100 GLU HB2 . 36331 1 1278 . 1 . 1 100 100 GLU HB3 H 1 1.859 0.030 . 1 . . . . A 100 GLU HB3 . 36331 1 1279 . 1 . 1 100 100 GLU HG2 H 1 2.152 0.030 . 1 . . . . A 100 GLU HG2 . 36331 1 1280 . 1 . 1 100 100 GLU HG3 H 1 2.152 0.030 . 1 . . . . A 100 GLU HG3 . 36331 1 1281 . 1 . 1 100 100 GLU C C 13 175.824 0.300 . 1 . . . . A 100 GLU C . 36331 1 1282 . 1 . 1 100 100 GLU CA C 13 56.447 0.300 . 1 . . . . A 100 GLU CA . 36331 1 1283 . 1 . 1 100 100 GLU CB C 13 30.397 0.300 . 1 . . . . A 100 GLU CB . 36331 1 1284 . 1 . 1 100 100 GLU CG C 13 36.120 0.300 . 1 . . . . A 100 GLU CG . 36331 1 1285 . 1 . 1 100 100 GLU N N 15 120.547 0.300 . 1 . . . . A 100 GLU N . 36331 1 1286 . 1 . 1 101 101 HIS H H 1 8.104 0.030 . 1 . . . . A 101 HIS H . 36331 1 1287 . 1 . 1 101 101 HIS N N 15 122.279 0.300 . 1 . . . . A 101 HIS N . 36331 1 stop_ save_