data_36330 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36330 _Entry.Title ; Solution NMR structure of NF5; de novo designed protein with a novel fold ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-23 _Entry.Accession_date 2020-05-07 _Entry.Last_release_date 2020-05-07 _Entry.Original_release_date 2020-05-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 36330 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. . . . 36330 2 T. Sugiki T. . . . 36330 3 T. Fujiwara T. . . . 36330 4 S. Minami S. . . . 36330 5 R. Koga R. . . . 36330 6 G. Chikenji G. . . . 36330 7 N. Koga N. . . . 36330 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 36330 'de novo designed protein' . 36330 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36330 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 467 36330 '15N chemical shifts' 110 36330 '1H chemical shifts' 761 36330 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-12-18 2020-03-23 update BMRB 'update entry citation' 36330 1 . . 2021-03-29 2020-03-23 original author 'original release' 36330 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' 36330 BMRB 36328 'Solution NMR structure of NF2; de novo designed protein with a novel fold' 36330 BMRB 36329 'Solution NMR structure of NF7; de novo designed protein with a novel fold' 36330 BMRB 36331 'Solution NMR structure of NF6; de novo designed protein with a novel fold' 36330 BMRB 36332 'Solution NMR structure of NF4; de novo designed protein with a novel fold' 36330 BMRB 36333 'Solution NMR structure of NF8 (knot fold); de novo designed protein with a novel fold' 36330 BMRB 36334 'Solution NMR structure of NF3; de novo designed protein with a novel fold' 36330 PDB 7BPP . 36330 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36330 _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. . . . 36330 1 2 N. Kobayashi N. . . . 36330 1 3 T. Sugiki T. . . . 36330 1 4 T. Nagashima T. . . . 36330 1 5 T. Fujiwara T. . . . 36330 1 6 R. Koga R. . . . 36330 1 7 G. Chikenji G. . . . 36330 1 8 N. Koga N. . . . 36330 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36330 _Assembly.ID 1 _Assembly.Name NF5 _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 . . . . . . 36330 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36330 _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 ; GEDDEILQRAKDILKEDPNR KILIILNPDGKIELYEVTSE EDIKRIAKKAGISEELLRRI LQSFRDGQYDLFFIAKTEDD ERRARELKERMGKPVEILRG SLEHHHHHH ; _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 109 _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 12920.676 _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 . 36330 1 2 2 GLU . 36330 1 3 3 ASP . 36330 1 4 4 ASP . 36330 1 5 5 GLU . 36330 1 6 6 ILE . 36330 1 7 7 LEU . 36330 1 8 8 GLN . 36330 1 9 9 ARG . 36330 1 10 10 ALA . 36330 1 11 11 LYS . 36330 1 12 12 ASP . 36330 1 13 13 ILE . 36330 1 14 14 LEU . 36330 1 15 15 LYS . 36330 1 16 16 GLU . 36330 1 17 17 ASP . 36330 1 18 18 PRO . 36330 1 19 19 ASN . 36330 1 20 20 ARG . 36330 1 21 21 LYS . 36330 1 22 22 ILE . 36330 1 23 23 LEU . 36330 1 24 24 ILE . 36330 1 25 25 ILE . 36330 1 26 26 LEU . 36330 1 27 27 ASN . 36330 1 28 28 PRO . 36330 1 29 29 ASP . 36330 1 30 30 GLY . 36330 1 31 31 LYS . 36330 1 32 32 ILE . 36330 1 33 33 GLU . 36330 1 34 34 LEU . 36330 1 35 35 TYR . 36330 1 36 36 GLU . 36330 1 37 37 VAL . 36330 1 38 38 THR . 36330 1 39 39 SER . 36330 1 40 40 GLU . 36330 1 41 41 GLU . 36330 1 42 42 ASP . 36330 1 43 43 ILE . 36330 1 44 44 LYS . 36330 1 45 45 ARG . 36330 1 46 46 ILE . 36330 1 47 47 ALA . 36330 1 48 48 LYS . 36330 1 49 49 LYS . 36330 1 50 50 ALA . 36330 1 51 51 GLY . 36330 1 52 52 ILE . 36330 1 53 53 SER . 36330 1 54 54 GLU . 36330 1 55 55 GLU . 36330 1 56 56 LEU . 36330 1 57 57 LEU . 36330 1 58 58 ARG . 36330 1 59 59 ARG . 36330 1 60 60 ILE . 36330 1 61 61 LEU . 36330 1 62 62 GLN . 36330 1 63 63 SER . 36330 1 64 64 PHE . 36330 1 65 65 ARG . 36330 1 66 66 ASP . 36330 1 67 67 GLY . 36330 1 68 68 GLN . 36330 1 69 69 TYR . 36330 1 70 70 ASP . 36330 1 71 71 LEU . 36330 1 72 72 PHE . 36330 1 73 73 PHE . 36330 1 74 74 ILE . 36330 1 75 75 ALA . 36330 1 76 76 LYS . 36330 1 77 77 THR . 36330 1 78 78 GLU . 36330 1 79 79 ASP . 36330 1 80 80 ASP . 36330 1 81 81 GLU . 36330 1 82 82 ARG . 36330 1 83 83 ARG . 36330 1 84 84 ALA . 36330 1 85 85 ARG . 36330 1 86 86 GLU . 36330 1 87 87 LEU . 36330 1 88 88 LYS . 36330 1 89 89 GLU . 36330 1 90 90 ARG . 36330 1 91 91 MET . 36330 1 92 92 GLY . 36330 1 93 93 LYS . 36330 1 94 94 PRO . 36330 1 95 95 VAL . 36330 1 96 96 GLU . 36330 1 97 97 ILE . 36330 1 98 98 LEU . 36330 1 99 99 ARG . 36330 1 100 100 GLY . 36330 1 101 101 SER . 36330 1 102 102 LEU . 36330 1 103 103 GLU . 36330 1 104 104 HIS . 36330 1 105 105 HIS . 36330 1 106 106 HIS . 36330 1 107 107 HIS . 36330 1 108 108 HIS . 36330 1 109 109 HIS . 36330 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 36330 1 . GLU 2 2 36330 1 . ASP 3 3 36330 1 . ASP 4 4 36330 1 . GLU 5 5 36330 1 . ILE 6 6 36330 1 . LEU 7 7 36330 1 . GLN 8 8 36330 1 . ARG 9 9 36330 1 . ALA 10 10 36330 1 . LYS 11 11 36330 1 . ASP 12 12 36330 1 . ILE 13 13 36330 1 . LEU 14 14 36330 1 . LYS 15 15 36330 1 . GLU 16 16 36330 1 . ASP 17 17 36330 1 . PRO 18 18 36330 1 . ASN 19 19 36330 1 . ARG 20 20 36330 1 . LYS 21 21 36330 1 . ILE 22 22 36330 1 . LEU 23 23 36330 1 . ILE 24 24 36330 1 . ILE 25 25 36330 1 . LEU 26 26 36330 1 . ASN 27 27 36330 1 . PRO 28 28 36330 1 . ASP 29 29 36330 1 . GLY 30 30 36330 1 . LYS 31 31 36330 1 . ILE 32 32 36330 1 . GLU 33 33 36330 1 . LEU 34 34 36330 1 . TYR 35 35 36330 1 . GLU 36 36 36330 1 . VAL 37 37 36330 1 . THR 38 38 36330 1 . SER 39 39 36330 1 . GLU 40 40 36330 1 . GLU 41 41 36330 1 . ASP 42 42 36330 1 . ILE 43 43 36330 1 . LYS 44 44 36330 1 . ARG 45 45 36330 1 . ILE 46 46 36330 1 . ALA 47 47 36330 1 . LYS 48 48 36330 1 . LYS 49 49 36330 1 . ALA 50 50 36330 1 . GLY 51 51 36330 1 . ILE 52 52 36330 1 . SER 53 53 36330 1 . GLU 54 54 36330 1 . GLU 55 55 36330 1 . LEU 56 56 36330 1 . LEU 57 57 36330 1 . ARG 58 58 36330 1 . ARG 59 59 36330 1 . ILE 60 60 36330 1 . LEU 61 61 36330 1 . GLN 62 62 36330 1 . SER 63 63 36330 1 . PHE 64 64 36330 1 . ARG 65 65 36330 1 . ASP 66 66 36330 1 . GLY 67 67 36330 1 . GLN 68 68 36330 1 . TYR 69 69 36330 1 . ASP 70 70 36330 1 . LEU 71 71 36330 1 . PHE 72 72 36330 1 . PHE 73 73 36330 1 . ILE 74 74 36330 1 . ALA 75 75 36330 1 . LYS 76 76 36330 1 . THR 77 77 36330 1 . GLU 78 78 36330 1 . ASP 79 79 36330 1 . ASP 80 80 36330 1 . GLU 81 81 36330 1 . ARG 82 82 36330 1 . ARG 83 83 36330 1 . ALA 84 84 36330 1 . ARG 85 85 36330 1 . GLU 86 86 36330 1 . LEU 87 87 36330 1 . LYS 88 88 36330 1 . GLU 89 89 36330 1 . ARG 90 90 36330 1 . MET 91 91 36330 1 . GLY 92 92 36330 1 . LYS 93 93 36330 1 . PRO 94 94 36330 1 . VAL 95 95 36330 1 . GLU 96 96 36330 1 . ILE 97 97 36330 1 . LEU 98 98 36330 1 . ARG 99 99 36330 1 . GLY 100 100 36330 1 . SER 101 101 36330 1 . LEU 102 102 36330 1 . GLU 103 103 36330 1 . HIS 104 104 36330 1 . HIS 105 105 36330 1 . HIS 106 106 36330 1 . HIS 107 107 36330 1 . HIS 108 108 36330 1 . HIS 109 109 36330 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 36330 _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 . . . . . . . . . . . . . 36330 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 36330 _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 . . . . . . . . . . 36330 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36330 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.9 mM [U-100% 13C; U-100% 15N] NF5, 4.3 mM sodium phosphate, 5.7 mM potassium phosphate, 50 mM sodium chloride, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NF5 '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 0.9 . . mM . . . . 36330 1 2 'potassium phosphate' 'natural abundance' . . . . . . 5.7 . . mM . . . . 36330 1 3 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 36330 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 4.3 . . mM . . . . 36330 1 5 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36330 1 6 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36330 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36330 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.2 mM [U-100% 13C; U-100% 15N] NF5, 4.3 mM sodium phosphate, 5.7 mM potassium phosphate, 50 mM sodium chloride, 6 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 NF5 '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 0.2 . . mM . . . . 36330 2 2 'Pf1 phage' 'natural abundance' . . . . . . 6 . . mg/mL . . . . 36330 2 3 'potassium phosphate' 'natural abundance' . . . . . . 5.7 . . mM . . . . 36330 2 4 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 36330 2 5 'sodium phosphate' 'natural abundance' . . . . . buffer 4.3 . . mM . . . . 36330 2 6 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36330 2 7 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36330 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 36330 _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' 60 . mM 36330 1 pH 6.8 . pH 36330 1 pressure 1 . atm 36330 1 temperature 303 . K 36330 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36330 _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' . . 36330 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36330 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36330 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36330 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36330 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36330 _Software.ID 3 _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' . . 36330 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36330 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36330 _Software.ID 4 _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.' . . 36330 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36330 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36330 _Software.ID 5 _Software.Type . _Software.Name NMRPipe _Software.Version 2017 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36330 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36330 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 36330 _Software.ID 6 _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' . . 36330 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36330 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 36330 _Software.ID 7 _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' . . 36330 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36330 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 36330 _Software.ID 8 _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' . . 36330 8 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 36330 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 36330 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36330 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 36330 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 800 . . . 36330 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 950 . . . 36330 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 36330 _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 . . . . . . . . . . . . . . . . . 36330 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36330 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36330 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36330 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36330 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36330 1 7 '3D HCCH-TOCSY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36330 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36330 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36330 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36330 1 11 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36330 1 12 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36330 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 36330 _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 298K) 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 . . . . . 36330 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36330 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36330 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 36330 _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 36330 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 36330 1 3 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 36330 1 4 '3D HNCO' 1 $sample_1 isotropic 36330 1 5 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36330 1 6 '3D HNCACB' 1 $sample_1 isotropic 36330 1 7 '3D HCCH-TOCSY aliphatic' 1 $sample_1 isotropic 36330 1 8 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36330 1 9 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36330 1 10 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 36330 1 11 '2D 1H-15N HSQC IPAP' 1 $sample_1 isotropic 36330 1 12 '2D 1H-15N HSQC IPAP' 2 $sample_2 anisotropic 36330 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 4.077 0.030 . 1 . . . . A 1 GLY HA2 . 36330 1 2 . 1 . 1 1 1 GLY HA3 H 1 4.077 0.030 . 1 . . . . A 1 GLY HA3 . 36330 1 3 . 1 . 1 1 1 GLY C C 13 174.792 0.300 . 1 . . . . A 1 GLY C . 36330 1 4 . 1 . 1 1 1 GLY CA C 13 45.667 0.300 . 1 . . . . A 1 GLY CA . 36330 1 5 . 1 . 1 2 2 GLU H H 1 9.001 0.030 . 1 . . . . A 2 GLU H . 36330 1 6 . 1 . 1 2 2 GLU HA H 1 4.212 0.030 . 1 . . . . A 2 GLU HA . 36330 1 7 . 1 . 1 2 2 GLU HB2 H 1 2.096 0.030 . 1 . . . . A 2 GLU HB2 . 36330 1 8 . 1 . 1 2 2 GLU HB3 H 1 2.096 0.030 . 1 . . . . A 2 GLU HB3 . 36330 1 9 . 1 . 1 2 2 GLU C C 13 177.764 0.300 . 1 . . . . A 2 GLU C . 36330 1 10 . 1 . 1 2 2 GLU CA C 13 59.080 0.300 . 1 . . . . A 2 GLU CA . 36330 1 11 . 1 . 1 2 2 GLU CB C 13 29.581 0.300 . 1 . . . . A 2 GLU CB . 36330 1 12 . 1 . 1 2 2 GLU N N 15 121.958 0.300 . 1 . . . . A 2 GLU N . 36330 1 13 . 1 . 1 3 3 ASP H H 1 8.575 0.030 . 1 . . . . A 3 ASP H . 36330 1 14 . 1 . 1 3 3 ASP HA H 1 4.406 0.030 . 1 . . . . A 3 ASP HA . 36330 1 15 . 1 . 1 3 3 ASP HB2 H 1 2.650 0.030 . 1 . . . . A 3 ASP HB2 . 36330 1 16 . 1 . 1 3 3 ASP HB3 H 1 2.650 0.030 . 1 . . . . A 3 ASP HB3 . 36330 1 17 . 1 . 1 3 3 ASP C C 13 177.284 0.300 . 1 . . . . A 3 ASP C . 36330 1 18 . 1 . 1 3 3 ASP CA C 13 56.707 0.300 . 1 . . . . A 3 ASP CA . 36330 1 19 . 1 . 1 3 3 ASP CB C 13 40.118 0.300 . 1 . . . . A 3 ASP CB . 36330 1 20 . 1 . 1 3 3 ASP N N 15 118.968 0.300 . 1 . . . . A 3 ASP N . 36330 1 21 . 1 . 1 4 4 ASP H H 1 7.872 0.030 . 1 . . . . A 4 ASP H . 36330 1 22 . 1 . 1 4 4 ASP HA H 1 4.383 0.030 . 1 . . . . A 4 ASP HA . 36330 1 23 . 1 . 1 4 4 ASP HB2 H 1 2.728 0.030 . 1 . . . . A 4 ASP HB2 . 36330 1 24 . 1 . 1 4 4 ASP HB3 H 1 2.728 0.030 . 1 . . . . A 4 ASP HB3 . 36330 1 25 . 1 . 1 4 4 ASP C C 13 178.625 0.300 . 1 . . . . A 4 ASP C . 36330 1 26 . 1 . 1 4 4 ASP CA C 13 57.158 0.300 . 1 . . . . A 4 ASP CA . 36330 1 27 . 1 . 1 4 4 ASP CB C 13 40.860 0.300 . 1 . . . . A 4 ASP CB . 36330 1 28 . 1 . 1 4 4 ASP N N 15 119.021 0.300 . 1 . . . . A 4 ASP N . 36330 1 29 . 1 . 1 5 5 GLU H H 1 8.198 0.030 . 1 . . . . A 5 GLU H . 36330 1 30 . 1 . 1 5 5 GLU HA H 1 4.107 0.030 . 1 . . . . A 5 GLU HA . 36330 1 31 . 1 . 1 5 5 GLU HB2 H 1 2.135 0.030 . 1 . . . . A 5 GLU HB2 . 36330 1 32 . 1 . 1 5 5 GLU HB3 H 1 2.135 0.030 . 1 . . . . A 5 GLU HB3 . 36330 1 33 . 1 . 1 5 5 GLU HG2 H 1 2.380 0.030 . 1 . . . . A 5 GLU HG2 . 36330 1 34 . 1 . 1 5 5 GLU HG3 H 1 2.380 0.030 . 1 . . . . A 5 GLU HG3 . 36330 1 35 . 1 . 1 5 5 GLU C C 13 179.095 0.300 . 1 . . . . A 5 GLU C . 36330 1 36 . 1 . 1 5 5 GLU CA C 13 59.596 0.300 . 1 . . . . A 5 GLU CA . 36330 1 37 . 1 . 1 5 5 GLU CB C 13 29.545 0.300 . 1 . . . . A 5 GLU CB . 36330 1 38 . 1 . 1 5 5 GLU CG C 13 36.560 0.300 . 1 . . . . A 5 GLU CG . 36330 1 39 . 1 . 1 5 5 GLU N N 15 120.977 0.300 . 1 . . . . A 5 GLU N . 36330 1 40 . 1 . 1 6 6 ILE H H 1 7.956 0.030 . 1 . . . . A 6 ILE H . 36330 1 41 . 1 . 1 6 6 ILE HA H 1 3.806 0.030 . 1 . . . . A 6 ILE HA . 36330 1 42 . 1 . 1 6 6 ILE HB H 1 2.104 0.030 . 1 . . . . A 6 ILE HB . 36330 1 43 . 1 . 1 6 6 ILE HG12 H 1 1.423 0.030 . 2 . . . . A 6 ILE HG12 . 36330 1 44 . 1 . 1 6 6 ILE HG13 H 1 1.563 0.030 . 2 . . . . A 6 ILE HG13 . 36330 1 45 . 1 . 1 6 6 ILE HG21 H 1 0.869 0.030 . 1 . . . . A 6 ILE HG21 . 36330 1 46 . 1 . 1 6 6 ILE HG22 H 1 0.869 0.030 . 1 . . . . A 6 ILE HG22 . 36330 1 47 . 1 . 1 6 6 ILE HG23 H 1 0.869 0.030 . 1 . . . . A 6 ILE HG23 . 36330 1 48 . 1 . 1 6 6 ILE HD11 H 1 0.838 0.030 . 1 . . . . A 6 ILE HD11 . 36330 1 49 . 1 . 1 6 6 ILE HD12 H 1 0.838 0.030 . 1 . . . . A 6 ILE HD12 . 36330 1 50 . 1 . 1 6 6 ILE HD13 H 1 0.838 0.030 . 1 . . . . A 6 ILE HD13 . 36330 1 51 . 1 . 1 6 6 ILE C C 13 177.249 0.300 . 1 . . . . A 6 ILE C . 36330 1 52 . 1 . 1 6 6 ILE CA C 13 63.239 0.300 . 1 . . . . A 6 ILE CA . 36330 1 53 . 1 . 1 6 6 ILE CB C 13 36.839 0.300 . 1 . . . . A 6 ILE CB . 36330 1 54 . 1 . 1 6 6 ILE CG1 C 13 28.567 0.300 . 1 . . . . A 6 ILE CG1 . 36330 1 55 . 1 . 1 6 6 ILE CG2 C 13 17.969 0.300 . 1 . . . . A 6 ILE CG2 . 36330 1 56 . 1 . 1 6 6 ILE CD1 C 13 12.190 0.300 . 1 . . . . A 6 ILE CD1 . 36330 1 57 . 1 . 1 6 6 ILE N N 15 120.339 0.300 . 1 . . . . A 6 ILE N . 36330 1 58 . 1 . 1 7 7 LEU H H 1 7.867 0.030 . 1 . . . . A 7 LEU H . 36330 1 59 . 1 . 1 7 7 LEU HA H 1 3.955 0.030 . 1 . . . . A 7 LEU HA . 36330 1 60 . 1 . 1 7 7 LEU HB2 H 1 1.693 0.030 . 2 . . . . A 7 LEU HB2 . 36330 1 61 . 1 . 1 7 7 LEU HB3 H 1 1.847 0.030 . 2 . . . . A 7 LEU HB3 . 36330 1 62 . 1 . 1 7 7 LEU HD11 H 1 0.949 0.030 . 2 . . . . A 7 LEU HD11 . 36330 1 63 . 1 . 1 7 7 LEU HD12 H 1 0.949 0.030 . 2 . . . . A 7 LEU HD12 . 36330 1 64 . 1 . 1 7 7 LEU HD13 H 1 0.949 0.030 . 2 . . . . A 7 LEU HD13 . 36330 1 65 . 1 . 1 7 7 LEU HD21 H 1 0.921 0.030 . 2 . . . . A 7 LEU HD21 . 36330 1 66 . 1 . 1 7 7 LEU HD22 H 1 0.921 0.030 . 2 . . . . A 7 LEU HD22 . 36330 1 67 . 1 . 1 7 7 LEU HD23 H 1 0.921 0.030 . 2 . . . . A 7 LEU HD23 . 36330 1 68 . 1 . 1 7 7 LEU C C 13 178.752 0.300 . 1 . . . . A 7 LEU C . 36330 1 69 . 1 . 1 7 7 LEU CA C 13 58.156 0.300 . 1 . . . . A 7 LEU CA . 36330 1 70 . 1 . 1 7 7 LEU CB C 13 41.483 0.300 . 1 . . . . A 7 LEU CB . 36330 1 71 . 1 . 1 7 7 LEU CD1 C 13 25.578 0.300 . 2 . . . . A 7 LEU CD1 . 36330 1 72 . 1 . 1 7 7 LEU CD2 C 13 24.175 0.300 . 2 . . . . A 7 LEU CD2 . 36330 1 73 . 1 . 1 7 7 LEU N N 15 119.676 0.300 . 1 . . . . A 7 LEU N . 36330 1 74 . 1 . 1 8 8 GLN H H 1 7.901 0.030 . 1 . . . . A 8 GLN H . 36330 1 75 . 1 . 1 8 8 GLN HA H 1 3.901 0.030 . 1 . . . . A 8 GLN HA . 36330 1 76 . 1 . 1 8 8 GLN HB2 H 1 2.195 0.030 . 1 . . . . A 8 GLN HB2 . 36330 1 77 . 1 . 1 8 8 GLN HB3 H 1 2.195 0.030 . 1 . . . . A 8 GLN HB3 . 36330 1 78 . 1 . 1 8 8 GLN HG2 H 1 2.443 0.030 . 1 . . . . A 8 GLN HG2 . 36330 1 79 . 1 . 1 8 8 GLN HG3 H 1 2.443 0.030 . 1 . . . . A 8 GLN HG3 . 36330 1 80 . 1 . 1 8 8 GLN HE21 H 1 6.876 0.030 . 2 . . . . A 8 GLN HE21 . 36330 1 81 . 1 . 1 8 8 GLN HE22 H 1 7.850 0.030 . 2 . . . . A 8 GLN HE22 . 36330 1 82 . 1 . 1 8 8 GLN C C 13 177.768 0.300 . 1 . . . . A 8 GLN C . 36330 1 83 . 1 . 1 8 8 GLN CA C 13 58.510 0.300 . 1 . . . . A 8 GLN CA . 36330 1 84 . 1 . 1 8 8 GLN CB C 13 28.330 0.300 . 1 . . . . A 8 GLN CB . 36330 1 85 . 1 . 1 8 8 GLN CG C 13 33.593 0.300 . 1 . . . . A 8 GLN CG . 36330 1 86 . 1 . 1 8 8 GLN N N 15 117.475 0.300 . 1 . . . . A 8 GLN N . 36330 1 87 . 1 . 1 8 8 GLN NE2 N 15 115.559 0.300 . 1 . . . . A 8 GLN NE2 . 36330 1 88 . 1 . 1 9 9 ARG H H 1 8.061 0.030 . 1 . . . . A 9 ARG H . 36330 1 89 . 1 . 1 9 9 ARG HA H 1 4.185 0.030 . 1 . . . . A 9 ARG HA . 36330 1 90 . 1 . 1 9 9 ARG HB2 H 1 1.961 0.030 . 1 . . . . A 9 ARG HB2 . 36330 1 91 . 1 . 1 9 9 ARG HB3 H 1 1.961 0.030 . 1 . . . . A 9 ARG HB3 . 36330 1 92 . 1 . 1 9 9 ARG HG2 H 1 1.730 0.030 . 2 . . . . A 9 ARG HG2 . 36330 1 93 . 1 . 1 9 9 ARG HG3 H 1 1.844 0.030 . 2 . . . . A 9 ARG HG3 . 36330 1 94 . 1 . 1 9 9 ARG HD2 H 1 3.187 0.030 . 2 . . . . A 9 ARG HD2 . 36330 1 95 . 1 . 1 9 9 ARG HD3 H 1 3.304 0.030 . 2 . . . . A 9 ARG HD3 . 36330 1 96 . 1 . 1 9 9 ARG C C 13 178.710 0.300 . 1 . . . . A 9 ARG C . 36330 1 97 . 1 . 1 9 9 ARG CA C 13 59.184 0.300 . 1 . . . . A 9 ARG CA . 36330 1 98 . 1 . 1 9 9 ARG CB C 13 30.209 0.300 . 1 . . . . A 9 ARG CB . 36330 1 99 . 1 . 1 9 9 ARG CG C 13 27.322 0.300 . 1 . . . . A 9 ARG CG . 36330 1 100 . 1 . 1 9 9 ARG CD C 13 43.710 0.300 . 1 . . . . A 9 ARG CD . 36330 1 101 . 1 . 1 9 9 ARG N N 15 119.072 0.300 . 1 . . . . A 9 ARG N . 36330 1 102 . 1 . 1 10 10 ALA H H 1 8.323 0.030 . 1 . . . . A 10 ALA H . 36330 1 103 . 1 . 1 10 10 ALA HA H 1 3.933 0.030 . 1 . . . . A 10 ALA HA . 36330 1 104 . 1 . 1 10 10 ALA HB1 H 1 1.419 0.030 . 1 . . . . A 10 ALA HB1 . 36330 1 105 . 1 . 1 10 10 ALA HB2 H 1 1.419 0.030 . 1 . . . . A 10 ALA HB2 . 36330 1 106 . 1 . 1 10 10 ALA HB3 H 1 1.419 0.030 . 1 . . . . A 10 ALA HB3 . 36330 1 107 . 1 . 1 10 10 ALA C C 13 178.696 0.300 . 1 . . . . A 10 ALA C . 36330 1 108 . 1 . 1 10 10 ALA CA C 13 55.443 0.300 . 1 . . . . A 10 ALA CA . 36330 1 109 . 1 . 1 10 10 ALA CB C 13 17.917 0.300 . 1 . . . . A 10 ALA CB . 36330 1 110 . 1 . 1 10 10 ALA N N 15 119.763 0.300 . 1 . . . . A 10 ALA N . 36330 1 111 . 1 . 1 11 11 LYS H H 1 8.032 0.030 . 1 . . . . A 11 LYS H . 36330 1 112 . 1 . 1 11 11 LYS HA H 1 3.844 0.030 . 1 . . . . A 11 LYS HA . 36330 1 113 . 1 . 1 11 11 LYS HB2 H 1 1.909 0.030 . 2 . . . . A 11 LYS HB2 . 36330 1 114 . 1 . 1 11 11 LYS HB3 H 1 1.995 0.030 . 2 . . . . A 11 LYS HB3 . 36330 1 115 . 1 . 1 11 11 LYS HG2 H 1 1.414 0.030 . 1 . . . . A 11 LYS HG2 . 36330 1 116 . 1 . 1 11 11 LYS HG3 H 1 1.414 0.030 . 1 . . . . A 11 LYS HG3 . 36330 1 117 . 1 . 1 11 11 LYS HD2 H 1 1.414 0.030 . 2 . . . . A 11 LYS HD2 . 36330 1 118 . 1 . 1 11 11 LYS HD3 H 1 1.757 0.030 . 2 . . . . A 11 LYS HD3 . 36330 1 119 . 1 . 1 11 11 LYS HE2 H 1 3.040 0.030 . 1 . . . . A 11 LYS HE2 . 36330 1 120 . 1 . 1 11 11 LYS HE3 H 1 3.040 0.030 . 1 . . . . A 11 LYS HE3 . 36330 1 121 . 1 . 1 11 11 LYS C C 13 179.651 0.300 . 1 . . . . A 11 LYS C . 36330 1 122 . 1 . 1 11 11 LYS CA C 13 60.328 0.300 . 1 . . . . A 11 LYS CA . 36330 1 123 . 1 . 1 11 11 LYS CB C 13 32.489 0.300 . 1 . . . . A 11 LYS CB . 36330 1 124 . 1 . 1 11 11 LYS CG C 13 26.297 0.300 . 1 . . . . A 11 LYS CG . 36330 1 125 . 1 . 1 11 11 LYS CD C 13 26.299 0.300 . 1 . . . . A 11 LYS CD . 36330 1 126 . 1 . 1 11 11 LYS CE C 13 42.240 0.300 . 1 . . . . A 11 LYS CE . 36330 1 127 . 1 . 1 11 11 LYS N N 15 115.837 0.300 . 1 . . . . A 11 LYS N . 36330 1 128 . 1 . 1 12 12 ASP H H 1 8.396 0.030 . 1 . . . . A 12 ASP H . 36330 1 129 . 1 . 1 12 12 ASP HA H 1 4.461 0.030 . 1 . . . . A 12 ASP HA . 36330 1 130 . 1 . 1 12 12 ASP HB2 H 1 2.689 0.030 . 2 . . . . A 12 ASP HB2 . 36330 1 131 . 1 . 1 12 12 ASP HB3 H 1 2.931 0.030 . 2 . . . . A 12 ASP HB3 . 36330 1 132 . 1 . 1 12 12 ASP C C 13 179.314 0.300 . 1 . . . . A 12 ASP C . 36330 1 133 . 1 . 1 12 12 ASP CA C 13 57.453 0.300 . 1 . . . . A 12 ASP CA . 36330 1 134 . 1 . 1 12 12 ASP CB C 13 40.146 0.300 . 1 . . . . A 12 ASP CB . 36330 1 135 . 1 . 1 12 12 ASP N N 15 120.778 0.300 . 1 . . . . A 12 ASP N . 36330 1 136 . 1 . 1 13 13 ILE H H 1 8.220 0.030 . 1 . . . . A 13 ILE H . 36330 1 137 . 1 . 1 13 13 ILE HA H 1 3.752 0.030 . 1 . . . . A 13 ILE HA . 36330 1 138 . 1 . 1 13 13 ILE HB H 1 1.916 0.030 . 1 . . . . A 13 ILE HB . 36330 1 139 . 1 . 1 13 13 ILE HG12 H 1 1.088 0.030 . 2 . . . . A 13 ILE HG12 . 36330 1 140 . 1 . 1 13 13 ILE HG13 H 1 1.875 0.030 . 2 . . . . A 13 ILE HG13 . 36330 1 141 . 1 . 1 13 13 ILE HG21 H 1 0.875 0.030 . 1 . . . . A 13 ILE HG21 . 36330 1 142 . 1 . 1 13 13 ILE HG22 H 1 0.875 0.030 . 1 . . . . A 13 ILE HG22 . 36330 1 143 . 1 . 1 13 13 ILE HG23 H 1 0.875 0.030 . 1 . . . . A 13 ILE HG23 . 36330 1 144 . 1 . 1 13 13 ILE HD11 H 1 0.811 0.030 . 1 . . . . A 13 ILE HD11 . 36330 1 145 . 1 . 1 13 13 ILE HD12 H 1 0.811 0.030 . 1 . . . . A 13 ILE HD12 . 36330 1 146 . 1 . 1 13 13 ILE HD13 H 1 0.811 0.030 . 1 . . . . A 13 ILE HD13 . 36330 1 147 . 1 . 1 13 13 ILE C C 13 178.304 0.300 . 1 . . . . A 13 ILE C . 36330 1 148 . 1 . 1 13 13 ILE CA C 13 65.467 0.300 . 1 . . . . A 13 ILE CA . 36330 1 149 . 1 . 1 13 13 ILE CB C 13 38.556 0.300 . 1 . . . . A 13 ILE CB . 36330 1 150 . 1 . 1 13 13 ILE CG1 C 13 29.320 0.300 . 1 . . . . A 13 ILE CG1 . 36330 1 151 . 1 . 1 13 13 ILE CG2 C 13 17.983 0.300 . 1 . . . . A 13 ILE CG2 . 36330 1 152 . 1 . 1 13 13 ILE CD1 C 13 14.797 0.300 . 1 . . . . A 13 ILE CD1 . 36330 1 153 . 1 . 1 13 13 ILE N N 15 122.417 0.300 . 1 . . . . A 13 ILE N . 36330 1 154 . 1 . 1 14 14 LEU H H 1 7.653 0.030 . 1 . . . . A 14 LEU H . 36330 1 155 . 1 . 1 14 14 LEU HA H 1 4.242 0.030 . 1 . . . . A 14 LEU HA . 36330 1 156 . 1 . 1 14 14 LEU HB2 H 1 1.527 0.030 . 2 . . . . A 14 LEU HB2 . 36330 1 157 . 1 . 1 14 14 LEU HB3 H 1 1.791 0.030 . 2 . . . . A 14 LEU HB3 . 36330 1 158 . 1 . 1 14 14 LEU HD11 H 1 0.828 0.030 . 2 . . . . A 14 LEU HD11 . 36330 1 159 . 1 . 1 14 14 LEU HD12 H 1 0.828 0.030 . 2 . . . . A 14 LEU HD12 . 36330 1 160 . 1 . 1 14 14 LEU HD13 H 1 0.828 0.030 . 2 . . . . A 14 LEU HD13 . 36330 1 161 . 1 . 1 14 14 LEU HD21 H 1 0.929 0.030 . 2 . . . . A 14 LEU HD21 . 36330 1 162 . 1 . 1 14 14 LEU HD22 H 1 0.929 0.030 . 2 . . . . A 14 LEU HD22 . 36330 1 163 . 1 . 1 14 14 LEU HD23 H 1 0.929 0.030 . 2 . . . . A 14 LEU HD23 . 36330 1 164 . 1 . 1 14 14 LEU C C 13 178.844 0.300 . 1 . . . . A 14 LEU C . 36330 1 165 . 1 . 1 14 14 LEU CA C 13 56.523 0.300 . 1 . . . . A 14 LEU CA . 36330 1 166 . 1 . 1 14 14 LEU CB C 13 41.692 0.300 . 1 . . . . A 14 LEU CB . 36330 1 167 . 1 . 1 14 14 LEU CD1 C 13 25.921 0.300 . 2 . . . . A 14 LEU CD1 . 36330 1 168 . 1 . 1 14 14 LEU CD2 C 13 23.048 0.300 . 2 . . . . A 14 LEU CD2 . 36330 1 169 . 1 . 1 14 14 LEU N N 15 117.581 0.300 . 1 . . . . A 14 LEU N . 36330 1 170 . 1 . 1 15 15 LYS H H 1 7.783 0.030 . 1 . . . . A 15 LYS H . 36330 1 171 . 1 . 1 15 15 LYS HA H 1 4.085 0.030 . 1 . . . . A 15 LYS HA . 36330 1 172 . 1 . 1 15 15 LYS HB2 H 1 1.994 0.030 . 1 . . . . A 15 LYS HB2 . 36330 1 173 . 1 . 1 15 15 LYS HB3 H 1 1.994 0.030 . 1 . . . . A 15 LYS HB3 . 36330 1 174 . 1 . 1 15 15 LYS HG2 H 1 1.419 0.030 . 2 . . . . A 15 LYS HG2 . 36330 1 175 . 1 . 1 15 15 LYS HG3 H 1 1.529 0.030 . 2 . . . . A 15 LYS HG3 . 36330 1 176 . 1 . 1 15 15 LYS HD2 H 1 1.754 0.030 . 1 . . . . A 15 LYS HD2 . 36330 1 177 . 1 . 1 15 15 LYS HD3 H 1 1.754 0.030 . 1 . . . . A 15 LYS HD3 . 36330 1 178 . 1 . 1 15 15 LYS HE2 H 1 3.037 0.030 . 1 . . . . A 15 LYS HE2 . 36330 1 179 . 1 . 1 15 15 LYS HE3 H 1 3.037 0.030 . 1 . . . . A 15 LYS HE3 . 36330 1 180 . 1 . 1 15 15 LYS C C 13 178.125 0.300 . 1 . . . . A 15 LYS C . 36330 1 181 . 1 . 1 15 15 LYS CA C 13 58.411 0.300 . 1 . . . . A 15 LYS CA . 36330 1 182 . 1 . 1 15 15 LYS CB C 13 32.576 0.300 . 1 . . . . A 15 LYS CB . 36330 1 183 . 1 . 1 15 15 LYS CG C 13 24.664 0.300 . 1 . . . . A 15 LYS CG . 36330 1 184 . 1 . 1 15 15 LYS CD C 13 29.473 0.300 . 1 . . . . A 15 LYS CD . 36330 1 185 . 1 . 1 15 15 LYS CE C 13 42.246 0.300 . 1 . . . . A 15 LYS CE . 36330 1 186 . 1 . 1 15 15 LYS N N 15 118.313 0.300 . 1 . . . . A 15 LYS N . 36330 1 187 . 1 . 1 16 16 GLU H H 1 7.486 0.030 . 1 . . . . A 16 GLU H . 36330 1 188 . 1 . 1 16 16 GLU HA H 1 4.163 0.030 . 1 . . . . A 16 GLU HA . 36330 1 189 . 1 . 1 16 16 GLU HB2 H 1 2.124 0.030 . 1 . . . . A 16 GLU HB2 . 36330 1 190 . 1 . 1 16 16 GLU HB3 H 1 2.124 0.030 . 1 . . . . A 16 GLU HB3 . 36330 1 191 . 1 . 1 16 16 GLU HG2 H 1 2.309 0.030 . 2 . . . . A 16 GLU HG2 . 36330 1 192 . 1 . 1 16 16 GLU HG3 H 1 2.427 0.030 . 2 . . . . A 16 GLU HG3 . 36330 1 193 . 1 . 1 16 16 GLU C C 13 177.115 0.300 . 1 . . . . A 16 GLU C . 36330 1 194 . 1 . 1 16 16 GLU CA C 13 58.200 0.300 . 1 . . . . A 16 GLU CA . 36330 1 195 . 1 . 1 16 16 GLU CB C 13 30.152 0.300 . 1 . . . . A 16 GLU CB . 36330 1 196 . 1 . 1 16 16 GLU CG C 13 36.292 0.300 . 1 . . . . A 16 GLU CG . 36330 1 197 . 1 . 1 16 16 GLU N N 15 117.772 0.300 . 1 . . . . A 16 GLU N . 36330 1 198 . 1 . 1 17 17 ASP H H 1 7.641 0.030 . 1 . . . . A 17 ASP H . 36330 1 199 . 1 . 1 17 17 ASP HA H 1 4.996 0.030 . 1 . . . . A 17 ASP HA . 36330 1 200 . 1 . 1 17 17 ASP HB2 H 1 2.643 0.030 . 2 . . . . A 17 ASP HB2 . 36330 1 201 . 1 . 1 17 17 ASP HB3 H 1 2.796 0.030 . 2 . . . . A 17 ASP HB3 . 36330 1 202 . 1 . 1 17 17 ASP CA C 13 51.466 0.300 . 1 . . . . A 17 ASP CA . 36330 1 203 . 1 . 1 17 17 ASP CB C 13 42.081 0.300 . 1 . . . . A 17 ASP CB . 36330 1 204 . 1 . 1 17 17 ASP N N 15 115.000 0.300 . 1 . . . . A 17 ASP N . 36330 1 205 . 1 . 1 18 18 PRO HA H 1 4.732 0.030 . 1 . . . . A 18 PRO HA . 36330 1 206 . 1 . 1 18 18 PRO HB2 H 1 2.047 0.030 . 2 . . . . A 18 PRO HB2 . 36330 1 207 . 1 . 1 18 18 PRO HB3 H 1 2.434 0.030 . 2 . . . . A 18 PRO HB3 . 36330 1 208 . 1 . 1 18 18 PRO HG2 H 1 1.966 0.030 . 2 . . . . A 18 PRO HG2 . 36330 1 209 . 1 . 1 18 18 PRO HG3 H 1 2.107 0.030 . 2 . . . . A 18 PRO HG3 . 36330 1 210 . 1 . 1 18 18 PRO HD2 H 1 3.615 0.030 . 2 . . . . A 18 PRO HD2 . 36330 1 211 . 1 . 1 18 18 PRO HD3 H 1 3.935 0.030 . 2 . . . . A 18 PRO HD3 . 36330 1 212 . 1 . 1 18 18 PRO C C 13 177.141 0.300 . 1 . . . . A 18 PRO C . 36330 1 213 . 1 . 1 18 18 PRO CA C 13 63.741 0.300 . 1 . . . . A 18 PRO CA . 36330 1 214 . 1 . 1 18 18 PRO CB C 13 32.291 0.300 . 1 . . . . A 18 PRO CB . 36330 1 215 . 1 . 1 18 18 PRO CG C 13 26.736 0.300 . 1 . . . . A 18 PRO CG . 36330 1 216 . 1 . 1 18 18 PRO CD C 13 50.841 0.300 . 1 . . . . A 18 PRO CD . 36330 1 217 . 1 . 1 19 19 ASN H H 1 8.340 0.030 . 1 . . . . A 19 ASN H . 36330 1 218 . 1 . 1 19 19 ASN HA H 1 4.839 0.030 . 1 . . . . A 19 ASN HA . 36330 1 219 . 1 . 1 19 19 ASN HB2 H 1 2.882 0.030 . 2 . . . . A 19 ASN HB2 . 36330 1 220 . 1 . 1 19 19 ASN HB3 H 1 2.986 0.030 . 2 . . . . A 19 ASN HB3 . 36330 1 221 . 1 . 1 19 19 ASN HD21 H 1 7.012 0.030 . 2 . . . . A 19 ASN HD21 . 36330 1 222 . 1 . 1 19 19 ASN HD22 H 1 7.936 0.030 . 2 . . . . A 19 ASN HD22 . 36330 1 223 . 1 . 1 19 19 ASN C C 13 175.379 0.300 . 1 . . . . A 19 ASN C . 36330 1 224 . 1 . 1 19 19 ASN CA C 13 53.525 0.300 . 1 . . . . A 19 ASN CA . 36330 1 225 . 1 . 1 19 19 ASN CB C 13 39.174 0.300 . 1 . . . . A 19 ASN CB . 36330 1 226 . 1 . 1 19 19 ASN N N 15 115.853 0.300 . 1 . . . . A 19 ASN N . 36330 1 227 . 1 . 1 19 19 ASN ND2 N 15 114.569 0.300 . 1 . . . . A 19 ASN ND2 . 36330 1 228 . 1 . 1 20 20 ARG H H 1 7.591 0.030 . 1 . . . . A 20 ARG H . 36330 1 229 . 1 . 1 20 20 ARG HA H 1 4.346 0.030 . 1 . . . . A 20 ARG HA . 36330 1 230 . 1 . 1 20 20 ARG HB2 H 1 1.838 0.030 . 1 . . . . A 20 ARG HB2 . 36330 1 231 . 1 . 1 20 20 ARG HB3 H 1 1.838 0.030 . 1 . . . . A 20 ARG HB3 . 36330 1 232 . 1 . 1 20 20 ARG HG2 H 1 1.730 0.030 . 1 . . . . A 20 ARG HG2 . 36330 1 233 . 1 . 1 20 20 ARG HG3 H 1 1.730 0.030 . 1 . . . . A 20 ARG HG3 . 36330 1 234 . 1 . 1 20 20 ARG HD2 H 1 3.234 0.030 . 1 . . . . A 20 ARG HD2 . 36330 1 235 . 1 . 1 20 20 ARG HD3 H 1 3.234 0.030 . 1 . . . . A 20 ARG HD3 . 36330 1 236 . 1 . 1 20 20 ARG HE H 1 8.361 0.030 . 1 . . . . A 20 ARG HE . 36330 1 237 . 1 . 1 20 20 ARG C C 13 174.096 0.300 . 1 . . . . A 20 ARG C . 36330 1 238 . 1 . 1 20 20 ARG CA C 13 56.574 0.300 . 1 . . . . A 20 ARG CA . 36330 1 239 . 1 . 1 20 20 ARG CB C 13 31.646 0.300 . 1 . . . . A 20 ARG CB . 36330 1 240 . 1 . 1 20 20 ARG CG C 13 27.481 0.300 . 1 . . . . A 20 ARG CG . 36330 1 241 . 1 . 1 20 20 ARG CD C 13 43.814 0.300 . 1 . . . . A 20 ARG CD . 36330 1 242 . 1 . 1 20 20 ARG N N 15 121.237 0.300 . 1 . . . . A 20 ARG N . 36330 1 243 . 1 . 1 21 21 LYS H H 1 8.362 0.030 . 1 . . . . A 21 LYS H . 36330 1 244 . 1 . 1 21 21 LYS HA H 1 5.206 0.030 . 1 . . . . A 21 LYS HA . 36330 1 245 . 1 . 1 21 21 LYS HB2 H 1 1.932 0.030 . 2 . . . . A 21 LYS HB2 . 36330 1 246 . 1 . 1 21 21 LYS HB3 H 1 2.057 0.030 . 2 . . . . A 21 LYS HB3 . 36330 1 247 . 1 . 1 21 21 LYS HG2 H 1 1.741 0.030 . 1 . . . . A 21 LYS HG2 . 36330 1 248 . 1 . 1 21 21 LYS HG3 H 1 1.741 0.030 . 1 . . . . A 21 LYS HG3 . 36330 1 249 . 1 . 1 21 21 LYS HD2 H 1 2.006 0.030 . 1 . . . . A 21 LYS HD2 . 36330 1 250 . 1 . 1 21 21 LYS HD3 H 1 2.006 0.030 . 1 . . . . A 21 LYS HD3 . 36330 1 251 . 1 . 1 21 21 LYS HE2 H 1 2.963 0.030 . 2 . . . . A 21 LYS HE2 . 36330 1 252 . 1 . 1 21 21 LYS HE3 H 1 3.040 0.030 . 2 . . . . A 21 LYS HE3 . 36330 1 253 . 1 . 1 21 21 LYS C C 13 175.924 0.300 . 1 . . . . A 21 LYS C . 36330 1 254 . 1 . 1 21 21 LYS CA C 13 54.398 0.300 . 1 . . . . A 21 LYS CA . 36330 1 255 . 1 . 1 21 21 LYS CB C 13 34.945 0.300 . 1 . . . . A 21 LYS CB . 36330 1 256 . 1 . 1 21 21 LYS CG C 13 26.275 0.300 . 1 . . . . A 21 LYS CG . 36330 1 257 . 1 . 1 21 21 LYS CD C 13 29.371 0.300 . 1 . . . . A 21 LYS CD . 36330 1 258 . 1 . 1 21 21 LYS CE C 13 42.868 0.300 . 1 . . . . A 21 LYS CE . 36330 1 259 . 1 . 1 21 21 LYS N N 15 119.003 0.300 . 1 . . . . A 21 LYS N . 36330 1 260 . 1 . 1 22 22 ILE H H 1 8.243 0.030 . 1 . . . . A 22 ILE H . 36330 1 261 . 1 . 1 22 22 ILE HA H 1 5.094 0.030 . 1 . . . . A 22 ILE HA . 36330 1 262 . 1 . 1 22 22 ILE HB H 1 1.801 0.030 . 1 . . . . A 22 ILE HB . 36330 1 263 . 1 . 1 22 22 ILE HG12 H 1 1.113 0.030 . 2 . . . . A 22 ILE HG12 . 36330 1 264 . 1 . 1 22 22 ILE HG13 H 1 1.561 0.030 . 2 . . . . A 22 ILE HG13 . 36330 1 265 . 1 . 1 22 22 ILE HG21 H 1 0.867 0.030 . 1 . . . . A 22 ILE HG21 . 36330 1 266 . 1 . 1 22 22 ILE HG22 H 1 0.867 0.030 . 1 . . . . A 22 ILE HG22 . 36330 1 267 . 1 . 1 22 22 ILE HG23 H 1 0.867 0.030 . 1 . . . . A 22 ILE HG23 . 36330 1 268 . 1 . 1 22 22 ILE HD11 H 1 0.867 0.030 . 1 . . . . A 22 ILE HD11 . 36330 1 269 . 1 . 1 22 22 ILE HD12 H 1 0.867 0.030 . 1 . . . . A 22 ILE HD12 . 36330 1 270 . 1 . 1 22 22 ILE HD13 H 1 0.867 0.030 . 1 . . . . A 22 ILE HD13 . 36330 1 271 . 1 . 1 22 22 ILE C C 13 174.044 0.300 . 1 . . . . A 22 ILE C . 36330 1 272 . 1 . 1 22 22 ILE CA C 13 59.792 0.300 . 1 . . . . A 22 ILE CA . 36330 1 273 . 1 . 1 22 22 ILE CB C 13 41.875 0.300 . 1 . . . . A 22 ILE CB . 36330 1 274 . 1 . 1 22 22 ILE CG1 C 13 27.781 0.300 . 1 . . . . A 22 ILE CG1 . 36330 1 275 . 1 . 1 22 22 ILE CG2 C 13 18.387 0.300 . 1 . . . . A 22 ILE CG2 . 36330 1 276 . 1 . 1 22 22 ILE CD1 C 13 13.843 0.300 . 1 . . . . A 22 ILE CD1 . 36330 1 277 . 1 . 1 22 22 ILE N N 15 118.862 0.300 . 1 . . . . A 22 ILE N . 36330 1 278 . 1 . 1 23 23 LEU H H 1 9.285 0.030 . 1 . . . . A 23 LEU H . 36330 1 279 . 1 . 1 23 23 LEU HA H 1 5.394 0.030 . 1 . . . . A 23 LEU HA . 36330 1 280 . 1 . 1 23 23 LEU HB2 H 1 1.519 0.030 . 2 . . . . A 23 LEU HB2 . 36330 1 281 . 1 . 1 23 23 LEU HB3 H 1 1.789 0.030 . 2 . . . . A 23 LEU HB3 . 36330 1 282 . 1 . 1 23 23 LEU HG H 1 1.668 0.030 . 1 . . . . A 23 LEU HG . 36330 1 283 . 1 . 1 23 23 LEU HD11 H 1 0.834 0.030 . 2 . . . . A 23 LEU HD11 . 36330 1 284 . 1 . 1 23 23 LEU HD12 H 1 0.834 0.030 . 2 . . . . A 23 LEU HD12 . 36330 1 285 . 1 . 1 23 23 LEU HD13 H 1 0.834 0.030 . 2 . . . . A 23 LEU HD13 . 36330 1 286 . 1 . 1 23 23 LEU HD21 H 1 0.738 0.030 . 2 . . . . A 23 LEU HD21 . 36330 1 287 . 1 . 1 23 23 LEU HD22 H 1 0.738 0.030 . 2 . . . . A 23 LEU HD22 . 36330 1 288 . 1 . 1 23 23 LEU HD23 H 1 0.738 0.030 . 2 . . . . A 23 LEU HD23 . 36330 1 289 . 1 . 1 23 23 LEU C C 13 174.608 0.300 . 1 . . . . A 23 LEU C . 36330 1 290 . 1 . 1 23 23 LEU CA C 13 53.825 0.300 . 1 . . . . A 23 LEU CA . 36330 1 291 . 1 . 1 23 23 LEU CB C 13 45.774 0.300 . 1 . . . . A 23 LEU CB . 36330 1 292 . 1 . 1 23 23 LEU CG C 13 28.186 0.300 . 1 . . . . A 23 LEU CG . 36330 1 293 . 1 . 1 23 23 LEU CD1 C 13 25.500 0.300 . 2 . . . . A 23 LEU CD1 . 36330 1 294 . 1 . 1 23 23 LEU CD2 C 13 25.808 0.300 . 2 . . . . A 23 LEU CD2 . 36330 1 295 . 1 . 1 23 23 LEU N N 15 128.586 0.300 . 1 . . . . A 23 LEU N . 36330 1 296 . 1 . 1 24 24 ILE H H 1 9.318 0.030 . 1 . . . . A 24 ILE H . 36330 1 297 . 1 . 1 24 24 ILE HA H 1 5.082 0.030 . 1 . . . . A 24 ILE HA . 36330 1 298 . 1 . 1 24 24 ILE HB H 1 1.491 0.030 . 1 . . . . A 24 ILE HB . 36330 1 299 . 1 . 1 24 24 ILE HG12 H 1 0.850 0.030 . 2 . . . . A 24 ILE HG12 . 36330 1 300 . 1 . 1 24 24 ILE HG13 H 1 1.503 0.030 . 2 . . . . A 24 ILE HG13 . 36330 1 301 . 1 . 1 24 24 ILE HG21 H 1 0.488 0.030 . 1 . . . . A 24 ILE HG21 . 36330 1 302 . 1 . 1 24 24 ILE HG22 H 1 0.488 0.030 . 1 . . . . A 24 ILE HG22 . 36330 1 303 . 1 . 1 24 24 ILE HG23 H 1 0.488 0.030 . 1 . . . . A 24 ILE HG23 . 36330 1 304 . 1 . 1 24 24 ILE HD11 H 1 0.597 0.030 . 1 . . . . A 24 ILE HD11 . 36330 1 305 . 1 . 1 24 24 ILE HD12 H 1 0.597 0.030 . 1 . . . . A 24 ILE HD12 . 36330 1 306 . 1 . 1 24 24 ILE HD13 H 1 0.597 0.030 . 1 . . . . A 24 ILE HD13 . 36330 1 307 . 1 . 1 24 24 ILE C C 13 174.317 0.300 . 1 . . . . A 24 ILE C . 36330 1 308 . 1 . 1 24 24 ILE CA C 13 60.008 0.300 . 1 . . . . A 24 ILE CA . 36330 1 309 . 1 . 1 24 24 ILE CB C 13 39.711 0.300 . 1 . . . . A 24 ILE CB . 36330 1 310 . 1 . 1 24 24 ILE CG1 C 13 28.234 0.300 . 1 . . . . A 24 ILE CG1 . 36330 1 311 . 1 . 1 24 24 ILE CG2 C 13 18.062 0.300 . 1 . . . . A 24 ILE CG2 . 36330 1 312 . 1 . 1 24 24 ILE CD1 C 13 13.717 0.300 . 1 . . . . A 24 ILE CD1 . 36330 1 313 . 1 . 1 24 24 ILE N N 15 126.366 0.300 . 1 . . . . A 24 ILE N . 36330 1 314 . 1 . 1 25 25 ILE H H 1 8.894 0.030 . 1 . . . . A 25 ILE H . 36330 1 315 . 1 . 1 25 25 ILE HA H 1 4.493 0.030 . 1 . . . . A 25 ILE HA . 36330 1 316 . 1 . 1 25 25 ILE HB H 1 1.927 0.030 . 1 . . . . A 25 ILE HB . 36330 1 317 . 1 . 1 25 25 ILE HG12 H 1 1.047 0.030 . 2 . . . . A 25 ILE HG12 . 36330 1 318 . 1 . 1 25 25 ILE HG13 H 1 1.595 0.030 . 2 . . . . A 25 ILE HG13 . 36330 1 319 . 1 . 1 25 25 ILE HG21 H 1 0.872 0.030 . 1 . . . . A 25 ILE HG21 . 36330 1 320 . 1 . 1 25 25 ILE HG22 H 1 0.872 0.030 . 1 . . . . A 25 ILE HG22 . 36330 1 321 . 1 . 1 25 25 ILE HG23 H 1 0.872 0.030 . 1 . . . . A 25 ILE HG23 . 36330 1 322 . 1 . 1 25 25 ILE HD11 H 1 0.759 0.030 . 1 . . . . A 25 ILE HD11 . 36330 1 323 . 1 . 1 25 25 ILE HD12 H 1 0.759 0.030 . 1 . . . . A 25 ILE HD12 . 36330 1 324 . 1 . 1 25 25 ILE HD13 H 1 0.759 0.030 . 1 . . . . A 25 ILE HD13 . 36330 1 325 . 1 . 1 25 25 ILE C C 13 174.456 0.300 . 1 . . . . A 25 ILE C . 36330 1 326 . 1 . 1 25 25 ILE CA C 13 60.110 0.300 . 1 . . . . A 25 ILE CA . 36330 1 327 . 1 . 1 25 25 ILE CB C 13 40.767 0.300 . 1 . . . . A 25 ILE CB . 36330 1 328 . 1 . 1 25 25 ILE CG1 C 13 27.774 0.300 . 1 . . . . A 25 ILE CG1 . 36330 1 329 . 1 . 1 25 25 ILE CG2 C 13 17.520 0.300 . 1 . . . . A 25 ILE CG2 . 36330 1 330 . 1 . 1 25 25 ILE CD1 C 13 13.449 0.300 . 1 . . . . A 25 ILE CD1 . 36330 1 331 . 1 . 1 25 25 ILE N N 15 125.459 0.300 . 1 . . . . A 25 ILE N . 36330 1 332 . 1 . 1 26 26 LEU H H 1 8.495 0.030 . 1 . . . . A 26 LEU H . 36330 1 333 . 1 . 1 26 26 LEU HA H 1 4.477 0.030 . 1 . . . . A 26 LEU HA . 36330 1 334 . 1 . 1 26 26 LEU HB2 H 1 1.834 0.030 . 2 . . . . A 26 LEU HB2 . 36330 1 335 . 1 . 1 26 26 LEU HB3 H 1 1.607 0.030 . 2 . . . . A 26 LEU HB3 . 36330 1 336 . 1 . 1 26 26 LEU HD11 H 1 1.278 0.030 . 2 . . . . A 26 LEU HD11 . 36330 1 337 . 1 . 1 26 26 LEU HD12 H 1 1.278 0.030 . 2 . . . . A 26 LEU HD12 . 36330 1 338 . 1 . 1 26 26 LEU HD13 H 1 1.278 0.030 . 2 . . . . A 26 LEU HD13 . 36330 1 339 . 1 . 1 26 26 LEU HD21 H 1 0.895 0.030 . 2 . . . . A 26 LEU HD21 . 36330 1 340 . 1 . 1 26 26 LEU HD22 H 1 0.895 0.030 . 2 . . . . A 26 LEU HD22 . 36330 1 341 . 1 . 1 26 26 LEU HD23 H 1 0.895 0.030 . 2 . . . . A 26 LEU HD23 . 36330 1 342 . 1 . 1 26 26 LEU C C 13 175.719 0.300 . 1 . . . . A 26 LEU C . 36330 1 343 . 1 . 1 26 26 LEU CA C 13 55.019 0.300 . 1 . . . . A 26 LEU CA . 36330 1 344 . 1 . 1 26 26 LEU CB C 13 41.708 0.300 . 1 . . . . A 26 LEU CB . 36330 1 345 . 1 . 1 26 26 LEU CD1 C 13 21.649 0.300 . 2 . . . . A 26 LEU CD1 . 36330 1 346 . 1 . 1 26 26 LEU CD2 C 13 25.996 0.300 . 2 . . . . A 26 LEU CD2 . 36330 1 347 . 1 . 1 26 26 LEU N N 15 127.031 0.300 . 1 . . . . A 26 LEU N . 36330 1 348 . 1 . 1 27 27 ASN H H 1 8.399 0.030 . 1 . . . . A 27 ASN H . 36330 1 349 . 1 . 1 27 27 ASN HA H 1 5.056 0.030 . 1 . . . . A 27 ASN HA . 36330 1 350 . 1 . 1 27 27 ASN HB2 H 1 2.849 0.030 . 2 . . . . A 27 ASN HB2 . 36330 1 351 . 1 . 1 27 27 ASN HB3 H 1 3.130 0.030 . 2 . . . . A 27 ASN HB3 . 36330 1 352 . 1 . 1 27 27 ASN HD21 H 1 7.286 0.030 . 2 . . . . A 27 ASN HD21 . 36330 1 353 . 1 . 1 27 27 ASN HD22 H 1 7.540 0.030 . 2 . . . . A 27 ASN HD22 . 36330 1 354 . 1 . 1 27 27 ASN CA C 13 51.599 0.300 . 1 . . . . A 27 ASN CA . 36330 1 355 . 1 . 1 27 27 ASN CB C 13 39.808 0.300 . 1 . . . . A 27 ASN CB . 36330 1 356 . 1 . 1 27 27 ASN N N 15 123.194 0.300 . 1 . . . . A 27 ASN N . 36330 1 357 . 1 . 1 27 27 ASN ND2 N 15 113.236 0.300 . 1 . . . . A 27 ASN ND2 . 36330 1 358 . 1 . 1 28 28 PRO HA H 1 4.624 0.030 . 1 . . . . A 28 PRO HA . 36330 1 359 . 1 . 1 28 28 PRO HB2 H 1 2.432 0.030 . 1 . . . . A 28 PRO HB2 . 36330 1 360 . 1 . 1 28 28 PRO HB3 H 1 2.432 0.030 . 1 . . . . A 28 PRO HB3 . 36330 1 361 . 1 . 1 28 28 PRO HG2 H 1 2.093 0.030 . 1 . . . . A 28 PRO HG2 . 36330 1 362 . 1 . 1 28 28 PRO HG3 H 1 2.093 0.030 . 1 . . . . A 28 PRO HG3 . 36330 1 363 . 1 . 1 28 28 PRO HD2 H 1 3.805 0.030 . 2 . . . . A 28 PRO HD2 . 36330 1 364 . 1 . 1 28 28 PRO HD3 H 1 3.934 0.030 . 2 . . . . A 28 PRO HD3 . 36330 1 365 . 1 . 1 28 28 PRO C C 13 176.788 0.300 . 1 . . . . A 28 PRO C . 36330 1 366 . 1 . 1 28 28 PRO CA C 13 64.929 0.300 . 1 . . . . A 28 PRO CA . 36330 1 367 . 1 . 1 28 28 PRO CB C 13 32.161 0.300 . 1 . . . . A 28 PRO CB . 36330 1 368 . 1 . 1 28 28 PRO CG C 13 27.866 0.300 . 1 . . . . A 28 PRO CG . 36330 1 369 . 1 . 1 28 28 PRO CD C 13 51.008 0.300 . 1 . . . . A 28 PRO CD . 36330 1 370 . 1 . 1 29 29 ASP H H 1 8.038 0.030 . 1 . . . . A 29 ASP H . 36330 1 371 . 1 . 1 29 29 ASP HA H 1 4.613 0.030 . 1 . . . . A 29 ASP HA . 36330 1 372 . 1 . 1 29 29 ASP HB2 H 1 2.783 0.030 . 2 . . . . A 29 ASP HB2 . 36330 1 373 . 1 . 1 29 29 ASP HB3 H 1 2.863 0.030 . 2 . . . . A 29 ASP HB3 . 36330 1 374 . 1 . 1 29 29 ASP C C 13 176.693 0.300 . 1 . . . . A 29 ASP C . 36330 1 375 . 1 . 1 29 29 ASP CA C 13 53.921 0.300 . 1 . . . . A 29 ASP CA . 36330 1 376 . 1 . 1 29 29 ASP CB C 13 40.410 0.300 . 1 . . . . A 29 ASP CB . 36330 1 377 . 1 . 1 29 29 ASP N N 15 115.960 0.300 . 1 . . . . A 29 ASP N . 36330 1 378 . 1 . 1 30 30 GLY H H 1 8.386 0.030 . 1 . . . . A 30 GLY H . 36330 1 379 . 1 . 1 30 30 GLY HA2 H 1 3.790 0.030 . 2 . . . . A 30 GLY HA2 . 36330 1 380 . 1 . 1 30 30 GLY HA3 H 1 4.293 0.030 . 2 . . . . A 30 GLY HA3 . 36330 1 381 . 1 . 1 30 30 GLY C C 13 174.280 0.300 . 1 . . . . A 30 GLY C . 36330 1 382 . 1 . 1 30 30 GLY CA C 13 45.443 0.300 . 1 . . . . A 30 GLY CA . 36330 1 383 . 1 . 1 30 30 GLY N N 15 108.151 0.300 . 1 . . . . A 30 GLY N . 36330 1 384 . 1 . 1 31 31 LYS H H 1 7.787 0.030 . 1 . . . . A 31 LYS H . 36330 1 385 . 1 . 1 31 31 LYS HA H 1 4.490 0.030 . 1 . . . . A 31 LYS HA . 36330 1 386 . 1 . 1 31 31 LYS HB2 H 1 1.854 0.030 . 1 . . . . A 31 LYS HB2 . 36330 1 387 . 1 . 1 31 31 LYS HB3 H 1 1.854 0.030 . 1 . . . . A 31 LYS HB3 . 36330 1 388 . 1 . 1 31 31 LYS HG2 H 1 1.366 0.030 . 2 . . . . A 31 LYS HG2 . 36330 1 389 . 1 . 1 31 31 LYS HG3 H 1 1.476 0.030 . 2 . . . . A 31 LYS HG3 . 36330 1 390 . 1 . 1 31 31 LYS HE2 H 1 3.019 0.030 . 1 . . . . A 31 LYS HE2 . 36330 1 391 . 1 . 1 31 31 LYS HE3 H 1 3.019 0.030 . 1 . . . . A 31 LYS HE3 . 36330 1 392 . 1 . 1 31 31 LYS C C 13 176.152 0.300 . 1 . . . . A 31 LYS C . 36330 1 393 . 1 . 1 31 31 LYS CA C 13 55.913 0.300 . 1 . . . . A 31 LYS CA . 36330 1 394 . 1 . 1 31 31 LYS CB C 13 33.114 0.300 . 1 . . . . A 31 LYS CB . 36330 1 395 . 1 . 1 31 31 LYS CG C 13 25.118 0.300 . 1 . . . . A 31 LYS CG . 36330 1 396 . 1 . 1 31 31 LYS CE C 13 42.251 0.300 . 1 . . . . A 31 LYS CE . 36330 1 397 . 1 . 1 31 31 LYS N N 15 121.434 0.300 . 1 . . . . A 31 LYS N . 36330 1 398 . 1 . 1 32 32 ILE H H 1 8.530 0.030 . 1 . . . . A 32 ILE H . 36330 1 399 . 1 . 1 32 32 ILE HA H 1 4.609 0.030 . 1 . . . . A 32 ILE HA . 36330 1 400 . 1 . 1 32 32 ILE HB H 1 1.691 0.030 . 1 . . . . A 32 ILE HB . 36330 1 401 . 1 . 1 32 32 ILE HG12 H 1 0.946 0.030 . 2 . . . . A 32 ILE HG12 . 36330 1 402 . 1 . 1 32 32 ILE HG13 H 1 1.682 0.030 . 2 . . . . A 32 ILE HG13 . 36330 1 403 . 1 . 1 32 32 ILE HG21 H 1 0.767 0.030 . 1 . . . . A 32 ILE HG21 . 36330 1 404 . 1 . 1 32 32 ILE HG22 H 1 0.767 0.030 . 1 . . . . A 32 ILE HG22 . 36330 1 405 . 1 . 1 32 32 ILE HG23 H 1 0.767 0.030 . 1 . . . . A 32 ILE HG23 . 36330 1 406 . 1 . 1 32 32 ILE HD11 H 1 0.809 0.030 . 1 . . . . A 32 ILE HD11 . 36330 1 407 . 1 . 1 32 32 ILE HD12 H 1 0.809 0.030 . 1 . . . . A 32 ILE HD12 . 36330 1 408 . 1 . 1 32 32 ILE HD13 H 1 0.809 0.030 . 1 . . . . A 32 ILE HD13 . 36330 1 409 . 1 . 1 32 32 ILE C C 13 175.176 0.300 . 1 . . . . A 32 ILE C . 36330 1 410 . 1 . 1 32 32 ILE CA C 13 61.299 0.300 . 1 . . . . A 32 ILE CA . 36330 1 411 . 1 . 1 32 32 ILE CB C 13 39.456 0.300 . 1 . . . . A 32 ILE CB . 36330 1 412 . 1 . 1 32 32 ILE CG1 C 13 28.232 0.300 . 1 . . . . A 32 ILE CG1 . 36330 1 413 . 1 . 1 32 32 ILE CG2 C 13 18.218 0.300 . 1 . . . . A 32 ILE CG2 . 36330 1 414 . 1 . 1 32 32 ILE CD1 C 13 13.677 0.300 . 1 . . . . A 32 ILE CD1 . 36330 1 415 . 1 . 1 32 32 ILE N N 15 123.540 0.300 . 1 . . . . A 32 ILE N . 36330 1 416 . 1 . 1 33 33 GLU H H 1 8.743 0.030 . 1 . . . . A 33 GLU H . 36330 1 417 . 1 . 1 33 33 GLU HA H 1 4.496 0.030 . 1 . . . . A 33 GLU HA . 36330 1 418 . 1 . 1 33 33 GLU HB2 H 1 1.836 0.030 . 2 . . . . A 33 GLU HB2 . 36330 1 419 . 1 . 1 33 33 GLU HB3 H 1 1.941 0.030 . 2 . . . . A 33 GLU HB3 . 36330 1 420 . 1 . 1 33 33 GLU HG2 H 1 2.134 0.030 . 1 . . . . A 33 GLU HG2 . 36330 1 421 . 1 . 1 33 33 GLU HG3 H 1 2.134 0.030 . 1 . . . . A 33 GLU HG3 . 36330 1 422 . 1 . 1 33 33 GLU C C 13 173.417 0.300 . 1 . . . . A 33 GLU C . 36330 1 423 . 1 . 1 33 33 GLU CA C 13 54.939 0.300 . 1 . . . . A 33 GLU CA . 36330 1 424 . 1 . 1 33 33 GLU CB C 13 33.473 0.300 . 1 . . . . A 33 GLU CB . 36330 1 425 . 1 . 1 33 33 GLU CG C 13 36.514 0.300 . 1 . . . . A 33 GLU CG . 36330 1 426 . 1 . 1 33 33 GLU N N 15 126.214 0.300 . 1 . . . . A 33 GLU N . 36330 1 427 . 1 . 1 34 34 LEU H H 1 8.075 0.030 . 1 . . . . A 34 LEU H . 36330 1 428 . 1 . 1 34 34 LEU HA H 1 4.920 0.030 . 1 . . . . A 34 LEU HA . 36330 1 429 . 1 . 1 34 34 LEU HB2 H 1 1.395 0.030 . 1 . . . . A 34 LEU HB2 . 36330 1 430 . 1 . 1 34 34 LEU HB3 H 1 1.395 0.030 . 1 . . . . A 34 LEU HB3 . 36330 1 431 . 1 . 1 34 34 LEU HD11 H 1 0.810 0.030 . 2 . . . . A 34 LEU HD11 . 36330 1 432 . 1 . 1 34 34 LEU HD12 H 1 0.810 0.030 . 2 . . . . A 34 LEU HD12 . 36330 1 433 . 1 . 1 34 34 LEU HD13 H 1 0.810 0.030 . 2 . . . . A 34 LEU HD13 . 36330 1 434 . 1 . 1 34 34 LEU HD21 H 1 0.701 0.030 . 2 . . . . A 34 LEU HD21 . 36330 1 435 . 1 . 1 34 34 LEU HD22 H 1 0.701 0.030 . 2 . . . . A 34 LEU HD22 . 36330 1 436 . 1 . 1 34 34 LEU HD23 H 1 0.701 0.030 . 2 . . . . A 34 LEU HD23 . 36330 1 437 . 1 . 1 34 34 LEU C C 13 175.269 0.300 . 1 . . . . A 34 LEU C . 36330 1 438 . 1 . 1 34 34 LEU CA C 13 54.600 0.300 . 1 . . . . A 34 LEU CA . 36330 1 439 . 1 . 1 34 34 LEU CB C 13 44.596 0.300 . 1 . . . . A 34 LEU CB . 36330 1 440 . 1 . 1 34 34 LEU CD1 C 13 26.939 0.300 . 2 . . . . A 34 LEU CD1 . 36330 1 441 . 1 . 1 34 34 LEU CD2 C 13 24.780 0.300 . 2 . . . . A 34 LEU CD2 . 36330 1 442 . 1 . 1 34 34 LEU N N 15 123.186 0.300 . 1 . . . . A 34 LEU N . 36330 1 443 . 1 . 1 35 35 TYR H H 1 9.345 0.030 . 1 . . . . A 35 TYR H . 36330 1 444 . 1 . 1 35 35 TYR HA H 1 4.779 0.030 . 1 . . . . A 35 TYR HA . 36330 1 445 . 1 . 1 35 35 TYR HB2 H 1 2.780 0.030 . 2 . . . . A 35 TYR HB2 . 36330 1 446 . 1 . 1 35 35 TYR HB3 H 1 3.007 0.030 . 2 . . . . A 35 TYR HB3 . 36330 1 447 . 1 . 1 35 35 TYR HD1 H 1 7.070 0.030 . 1 . . . . A 35 TYR HD1 . 36330 1 448 . 1 . 1 35 35 TYR HD2 H 1 7.070 0.030 . 1 . . . . A 35 TYR HD2 . 36330 1 449 . 1 . 1 35 35 TYR HE1 H 1 6.718 0.030 . 1 . . . . A 35 TYR HE1 . 36330 1 450 . 1 . 1 35 35 TYR HE2 H 1 6.718 0.030 . 1 . . . . A 35 TYR HE2 . 36330 1 451 . 1 . 1 35 35 TYR C C 13 174.707 0.300 . 1 . . . . A 35 TYR C . 36330 1 452 . 1 . 1 35 35 TYR CA C 13 57.083 0.300 . 1 . . . . A 35 TYR CA . 36330 1 453 . 1 . 1 35 35 TYR CB C 13 41.822 0.300 . 1 . . . . A 35 TYR CB . 36330 1 454 . 1 . 1 35 35 TYR CD1 C 13 133.388 0.300 . 1 . . . . A 35 TYR CD1 . 36330 1 455 . 1 . 1 35 35 TYR CD2 C 13 133.388 0.300 . 1 . . . . A 35 TYR CD2 . 36330 1 456 . 1 . 1 35 35 TYR CE1 C 13 118.030 0.300 . 1 . . . . A 35 TYR CE1 . 36330 1 457 . 1 . 1 35 35 TYR CE2 C 13 118.030 0.300 . 1 . . . . A 35 TYR CE2 . 36330 1 458 . 1 . 1 35 35 TYR N N 15 123.077 0.300 . 1 . . . . A 35 TYR N . 36330 1 459 . 1 . 1 36 36 GLU H H 1 8.979 0.030 . 1 . . . . A 36 GLU H . 36330 1 460 . 1 . 1 36 36 GLU HA H 1 4.879 0.030 . 1 . . . . A 36 GLU HA . 36330 1 461 . 1 . 1 36 36 GLU HB2 H 1 2.015 0.030 . 1 . . . . A 36 GLU HB2 . 36330 1 462 . 1 . 1 36 36 GLU HB3 H 1 2.015 0.030 . 1 . . . . A 36 GLU HB3 . 36330 1 463 . 1 . 1 36 36 GLU HG2 H 1 2.161 0.030 . 2 . . . . A 36 GLU HG2 . 36330 1 464 . 1 . 1 36 36 GLU HG3 H 1 2.262 0.030 . 2 . . . . A 36 GLU HG3 . 36330 1 465 . 1 . 1 36 36 GLU C C 13 176.233 0.300 . 1 . . . . A 36 GLU C . 36330 1 466 . 1 . 1 36 36 GLU CA C 13 56.120 0.300 . 1 . . . . A 36 GLU CA . 36330 1 467 . 1 . 1 36 36 GLU CB C 13 31.213 0.300 . 1 . . . . A 36 GLU CB . 36330 1 468 . 1 . 1 36 36 GLU CG C 13 37.108 0.300 . 1 . . . . A 36 GLU CG . 36330 1 469 . 1 . 1 36 36 GLU N N 15 123.946 0.300 . 1 . . . . A 36 GLU N . 36330 1 470 . 1 . 1 37 37 VAL H H 1 8.908 0.030 . 1 . . . . A 37 VAL H . 36330 1 471 . 1 . 1 37 37 VAL HA H 1 5.086 0.030 . 1 . . . . A 37 VAL HA . 36330 1 472 . 1 . 1 37 37 VAL HB H 1 1.978 0.030 . 1 . . . . A 37 VAL HB . 36330 1 473 . 1 . 1 37 37 VAL HG11 H 1 0.792 0.030 . 2 . . . . A 37 VAL HG11 . 36330 1 474 . 1 . 1 37 37 VAL HG12 H 1 0.792 0.030 . 2 . . . . A 37 VAL HG12 . 36330 1 475 . 1 . 1 37 37 VAL HG13 H 1 0.792 0.030 . 2 . . . . A 37 VAL HG13 . 36330 1 476 . 1 . 1 37 37 VAL HG21 H 1 0.756 0.030 . 2 . . . . A 37 VAL HG21 . 36330 1 477 . 1 . 1 37 37 VAL HG22 H 1 0.756 0.030 . 2 . . . . A 37 VAL HG22 . 36330 1 478 . 1 . 1 37 37 VAL HG23 H 1 0.756 0.030 . 2 . . . . A 37 VAL HG23 . 36330 1 479 . 1 . 1 37 37 VAL C C 13 175.101 0.300 . 1 . . . . A 37 VAL C . 36330 1 480 . 1 . 1 37 37 VAL CA C 13 60.087 0.300 . 1 . . . . A 37 VAL CA . 36330 1 481 . 1 . 1 37 37 VAL CB C 13 35.775 0.300 . 1 . . . . A 37 VAL CB . 36330 1 482 . 1 . 1 37 37 VAL CG1 C 13 19.388 0.300 . 2 . . . . A 37 VAL CG1 . 36330 1 483 . 1 . 1 37 37 VAL CG2 C 13 23.278 0.300 . 2 . . . . A 37 VAL CG2 . 36330 1 484 . 1 . 1 37 37 VAL N N 15 117.820 0.300 . 1 . . . . A 37 VAL N . 36330 1 485 . 1 . 1 38 38 THR H H 1 9.832 0.030 . 1 . . . . A 38 THR H . 36330 1 486 . 1 . 1 38 38 THR HA H 1 4.943 0.030 . 1 . . . . A 38 THR HA . 36330 1 487 . 1 . 1 38 38 THR HB H 1 4.483 0.030 . 1 . . . . A 38 THR HB . 36330 1 488 . 1 . 1 38 38 THR HG21 H 1 1.283 0.030 . 1 . . . . A 38 THR HG21 . 36330 1 489 . 1 . 1 38 38 THR HG22 H 1 1.283 0.030 . 1 . . . . A 38 THR HG22 . 36330 1 490 . 1 . 1 38 38 THR HG23 H 1 1.283 0.030 . 1 . . . . A 38 THR HG23 . 36330 1 491 . 1 . 1 38 38 THR C C 13 174.317 0.300 . 1 . . . . A 38 THR C . 36330 1 492 . 1 . 1 38 38 THR CA C 13 61.760 0.300 . 1 . . . . A 38 THR CA . 36330 1 493 . 1 . 1 38 38 THR CB C 13 71.158 0.300 . 1 . . . . A 38 THR CB . 36330 1 494 . 1 . 1 38 38 THR CG2 C 13 21.728 0.300 . 1 . . . . A 38 THR CG2 . 36330 1 495 . 1 . 1 38 38 THR N N 15 114.032 0.300 . 1 . . . . A 38 THR N . 36330 1 496 . 1 . 1 39 39 SER H H 1 7.765 0.030 . 1 . . . . A 39 SER H . 36330 1 497 . 1 . 1 39 39 SER HA H 1 4.928 0.030 . 1 . . . . A 39 SER HA . 36330 1 498 . 1 . 1 39 39 SER HB2 H 1 4.037 0.030 . 2 . . . . A 39 SER HB2 . 36330 1 499 . 1 . 1 39 39 SER HB3 H 1 4.289 0.030 . 2 . . . . A 39 SER HB3 . 36330 1 500 . 1 . 1 39 39 SER C C 13 174.058 0.300 . 1 . . . . A 39 SER C . 36330 1 501 . 1 . 1 39 39 SER CA C 13 56.711 0.300 . 1 . . . . A 39 SER CA . 36330 1 502 . 1 . 1 39 39 SER CB C 13 66.925 0.300 . 1 . . . . A 39 SER CB . 36330 1 503 . 1 . 1 39 39 SER N N 15 114.892 0.300 . 1 . . . . A 39 SER N . 36330 1 504 . 1 . 1 40 40 GLU H H 1 9.142 0.030 . 1 . . . . A 40 GLU H . 36330 1 505 . 1 . 1 40 40 GLU HA H 1 3.388 0.030 . 1 . . . . A 40 GLU HA . 36330 1 506 . 1 . 1 40 40 GLU HB2 H 1 2.015 0.030 . 1 . . . . A 40 GLU HB2 . 36330 1 507 . 1 . 1 40 40 GLU HB3 H 1 2.015 0.030 . 1 . . . . A 40 GLU HB3 . 36330 1 508 . 1 . 1 40 40 GLU HG2 H 1 2.062 0.030 . 2 . . . . A 40 GLU HG2 . 36330 1 509 . 1 . 1 40 40 GLU HG3 H 1 2.530 0.030 . 2 . . . . A 40 GLU HG3 . 36330 1 510 . 1 . 1 40 40 GLU C C 13 178.354 0.300 . 1 . . . . A 40 GLU C . 36330 1 511 . 1 . 1 40 40 GLU CA C 13 60.068 0.300 . 1 . . . . A 40 GLU CA . 36330 1 512 . 1 . 1 40 40 GLU CB C 13 29.513 0.300 . 1 . . . . A 40 GLU CB . 36330 1 513 . 1 . 1 40 40 GLU CG C 13 37.820 0.300 . 1 . . . . A 40 GLU CG . 36330 1 514 . 1 . 1 40 40 GLU N N 15 119.754 0.300 . 1 . . . . A 40 GLU N . 36330 1 515 . 1 . 1 41 41 GLU H H 1 8.190 0.030 . 1 . . . . A 41 GLU H . 36330 1 516 . 1 . 1 41 41 GLU HA H 1 3.893 0.030 . 1 . . . . A 41 GLU HA . 36330 1 517 . 1 . 1 41 41 GLU HB2 H 1 1.986 0.030 . 1 . . . . A 41 GLU HB2 . 36330 1 518 . 1 . 1 41 41 GLU HB3 H 1 1.986 0.030 . 1 . . . . A 41 GLU HB3 . 36330 1 519 . 1 . 1 41 41 GLU HG2 H 1 2.361 0.030 . 1 . . . . A 41 GLU HG2 . 36330 1 520 . 1 . 1 41 41 GLU HG3 H 1 2.361 0.030 . 1 . . . . A 41 GLU HG3 . 36330 1 521 . 1 . 1 41 41 GLU C C 13 179.050 0.300 . 1 . . . . A 41 GLU C . 36330 1 522 . 1 . 1 41 41 GLU CA C 13 59.938 0.300 . 1 . . . . A 41 GLU CA . 36330 1 523 . 1 . 1 41 41 GLU CB C 13 28.903 0.300 . 1 . . . . A 41 GLU CB . 36330 1 524 . 1 . 1 41 41 GLU CG C 13 36.383 0.300 . 1 . . . . A 41 GLU CG . 36330 1 525 . 1 . 1 41 41 GLU N N 15 118.629 0.300 . 1 . . . . A 41 GLU N . 36330 1 526 . 1 . 1 42 42 ASP H H 1 7.788 0.030 . 1 . . . . A 42 ASP H . 36330 1 527 . 1 . 1 42 42 ASP HA H 1 4.344 0.030 . 1 . . . . A 42 ASP HA . 36330 1 528 . 1 . 1 42 42 ASP HB2 H 1 2.804 0.030 . 2 . . . . A 42 ASP HB2 . 36330 1 529 . 1 . 1 42 42 ASP HB3 H 1 3.028 0.030 . 2 . . . . A 42 ASP HB3 . 36330 1 530 . 1 . 1 42 42 ASP C C 13 178.102 0.300 . 1 . . . . A 42 ASP C . 36330 1 531 . 1 . 1 42 42 ASP CA C 13 57.422 0.300 . 1 . . . . A 42 ASP CA . 36330 1 532 . 1 . 1 42 42 ASP CB C 13 41.207 0.300 . 1 . . . . A 42 ASP CB . 36330 1 533 . 1 . 1 42 42 ASP N N 15 119.378 0.300 . 1 . . . . A 42 ASP N . 36330 1 534 . 1 . 1 43 43 ILE H H 1 6.975 0.030 . 1 . . . . A 43 ILE H . 36330 1 535 . 1 . 1 43 43 ILE HA H 1 3.213 0.030 . 1 . . . . A 43 ILE HA . 36330 1 536 . 1 . 1 43 43 ILE HB H 1 1.737 0.030 . 1 . . . . A 43 ILE HB . 36330 1 537 . 1 . 1 43 43 ILE HG12 H 1 0.478 0.030 . 2 . . . . A 43 ILE HG12 . 36330 1 538 . 1 . 1 43 43 ILE HG13 H 1 1.507 0.030 . 2 . . . . A 43 ILE HG13 . 36330 1 539 . 1 . 1 43 43 ILE HG21 H 1 0.512 0.030 . 1 . . . . A 43 ILE HG21 . 36330 1 540 . 1 . 1 43 43 ILE HG22 H 1 0.512 0.030 . 1 . . . . A 43 ILE HG22 . 36330 1 541 . 1 . 1 43 43 ILE HG23 H 1 0.512 0.030 . 1 . . . . A 43 ILE HG23 . 36330 1 542 . 1 . 1 43 43 ILE HD11 H 1 0.143 0.030 . 1 . . . . A 43 ILE HD11 . 36330 1 543 . 1 . 1 43 43 ILE HD12 H 1 0.143 0.030 . 1 . . . . A 43 ILE HD12 . 36330 1 544 . 1 . 1 43 43 ILE HD13 H 1 0.143 0.030 . 1 . . . . A 43 ILE HD13 . 36330 1 545 . 1 . 1 43 43 ILE C C 13 177.000 0.300 . 1 . . . . A 43 ILE C . 36330 1 546 . 1 . 1 43 43 ILE CA C 13 65.664 0.300 . 1 . . . . A 43 ILE CA . 36330 1 547 . 1 . 1 43 43 ILE CB C 13 37.259 0.300 . 1 . . . . A 43 ILE CB . 36330 1 548 . 1 . 1 43 43 ILE CG1 C 13 29.937 0.300 . 1 . . . . A 43 ILE CG1 . 36330 1 549 . 1 . 1 43 43 ILE CG2 C 13 17.775 0.300 . 1 . . . . A 43 ILE CG2 . 36330 1 550 . 1 . 1 43 43 ILE CD1 C 13 13.253 0.300 . 1 . . . . A 43 ILE CD1 . 36330 1 551 . 1 . 1 43 43 ILE N N 15 118.009 0.300 . 1 . . . . A 43 ILE N . 36330 1 552 . 1 . 1 44 44 LYS H H 1 8.006 0.030 . 1 . . . . A 44 LYS H . 36330 1 553 . 1 . 1 44 44 LYS HA H 1 3.758 0.030 . 1 . . . . A 44 LYS HA . 36330 1 554 . 1 . 1 44 44 LYS HB2 H 1 1.826 0.030 . 2 . . . . A 44 LYS HB2 . 36330 1 555 . 1 . 1 44 44 LYS HB3 H 1 1.904 0.030 . 2 . . . . A 44 LYS HB3 . 36330 1 556 . 1 . 1 44 44 LYS HD2 H 1 1.361 0.030 . 2 . . . . A 44 LYS HD2 . 36330 1 557 . 1 . 1 44 44 LYS HD3 H 1 1.625 0.030 . 2 . . . . A 44 LYS HD3 . 36330 1 558 . 1 . 1 44 44 LYS HE2 H 1 2.785 0.030 . 2 . . . . A 44 LYS HE2 . 36330 1 559 . 1 . 1 44 44 LYS HE3 H 1 2.853 0.030 . 2 . . . . A 44 LYS HE3 . 36330 1 560 . 1 . 1 44 44 LYS C C 13 178.929 0.300 . 1 . . . . A 44 LYS C . 36330 1 561 . 1 . 1 44 44 LYS CA C 13 60.643 0.300 . 1 . . . . A 44 LYS CA . 36330 1 562 . 1 . 1 44 44 LYS CB C 13 32.489 0.300 . 1 . . . . A 44 LYS CB . 36330 1 563 . 1 . 1 44 44 LYS CD C 13 26.820 0.300 . 1 . . . . A 44 LYS CD . 36330 1 564 . 1 . 1 44 44 LYS CE C 13 42.154 0.300 . 1 . . . . A 44 LYS CE . 36330 1 565 . 1 . 1 44 44 LYS N N 15 118.385 0.300 . 1 . . . . A 44 LYS N . 36330 1 566 . 1 . 1 45 45 ARG H H 1 7.891 0.030 . 1 . . . . A 45 ARG H . 36330 1 567 . 1 . 1 45 45 ARG HA H 1 4.042 0.030 . 1 . . . . A 45 ARG HA . 36330 1 568 . 1 . 1 45 45 ARG HB2 H 1 1.967 0.030 . 1 . . . . A 45 ARG HB2 . 36330 1 569 . 1 . 1 45 45 ARG HB3 H 1 1.967 0.030 . 1 . . . . A 45 ARG HB3 . 36330 1 570 . 1 . 1 45 45 ARG HG2 H 1 1.545 0.030 . 2 . . . . A 45 ARG HG2 . 36330 1 571 . 1 . 1 45 45 ARG HG3 H 1 1.797 0.030 . 2 . . . . A 45 ARG HG3 . 36330 1 572 . 1 . 1 45 45 ARG HD2 H 1 3.292 0.030 . 1 . . . . A 45 ARG HD2 . 36330 1 573 . 1 . 1 45 45 ARG HD3 H 1 3.292 0.030 . 1 . . . . A 45 ARG HD3 . 36330 1 574 . 1 . 1 45 45 ARG C C 13 179.359 0.300 . 1 . . . . A 45 ARG C . 36330 1 575 . 1 . 1 45 45 ARG CA C 13 59.710 0.300 . 1 . . . . A 45 ARG CA . 36330 1 576 . 1 . 1 45 45 ARG CB C 13 30.284 0.300 . 1 . . . . A 45 ARG CB . 36330 1 577 . 1 . 1 45 45 ARG CG C 13 27.912 0.300 . 1 . . . . A 45 ARG CG . 36330 1 578 . 1 . 1 45 45 ARG CD C 13 43.380 0.300 . 1 . . . . A 45 ARG CD . 36330 1 579 . 1 . 1 45 45 ARG N N 15 119.545 0.300 . 1 . . . . A 45 ARG N . 36330 1 580 . 1 . 1 46 46 ILE H H 1 7.953 0.030 . 1 . . . . A 46 ILE H . 36330 1 581 . 1 . 1 46 46 ILE HA H 1 3.493 0.030 . 1 . . . . A 46 ILE HA . 36330 1 582 . 1 . 1 46 46 ILE HB H 1 1.506 0.030 . 1 . . . . A 46 ILE HB . 36330 1 583 . 1 . 1 46 46 ILE HG12 H 1 0.749 0.030 . 2 . . . . A 46 ILE HG12 . 36330 1 584 . 1 . 1 46 46 ILE HG13 H 1 1.407 0.030 . 2 . . . . A 46 ILE HG13 . 36330 1 585 . 1 . 1 46 46 ILE HG21 H 1 0.224 0.030 . 1 . . . . A 46 ILE HG21 . 36330 1 586 . 1 . 1 46 46 ILE HG22 H 1 0.224 0.030 . 1 . . . . A 46 ILE HG22 . 36330 1 587 . 1 . 1 46 46 ILE HG23 H 1 0.224 0.030 . 1 . . . . A 46 ILE HG23 . 36330 1 588 . 1 . 1 46 46 ILE HD11 H 1 0.495 0.030 . 1 . . . . A 46 ILE HD11 . 36330 1 589 . 1 . 1 46 46 ILE HD12 H 1 0.495 0.030 . 1 . . . . A 46 ILE HD12 . 36330 1 590 . 1 . 1 46 46 ILE HD13 H 1 0.495 0.030 . 1 . . . . A 46 ILE HD13 . 36330 1 591 . 1 . 1 46 46 ILE C C 13 177.407 0.300 . 1 . . . . A 46 ILE C . 36330 1 592 . 1 . 1 46 46 ILE CA C 13 63.631 0.300 . 1 . . . . A 46 ILE CA . 36330 1 593 . 1 . 1 46 46 ILE CB C 13 37.944 0.300 . 1 . . . . A 46 ILE CB . 36330 1 594 . 1 . 1 46 46 ILE CG1 C 13 28.705 0.300 . 1 . . . . A 46 ILE CG1 . 36330 1 595 . 1 . 1 46 46 ILE CG2 C 13 17.300 0.300 . 1 . . . . A 46 ILE CG2 . 36330 1 596 . 1 . 1 46 46 ILE CD1 C 13 14.771 0.300 . 1 . . . . A 46 ILE CD1 . 36330 1 597 . 1 . 1 46 46 ILE N N 15 120.243 0.300 . 1 . . . . A 46 ILE N . 36330 1 598 . 1 . 1 47 47 ALA H H 1 8.522 0.030 . 1 . . . . A 47 ALA H . 36330 1 599 . 1 . 1 47 47 ALA HA H 1 3.739 0.030 . 1 . . . . A 47 ALA HA . 36330 1 600 . 1 . 1 47 47 ALA HB1 H 1 1.409 0.030 . 1 . . . . A 47 ALA HB1 . 36330 1 601 . 1 . 1 47 47 ALA HB2 H 1 1.409 0.030 . 1 . . . . A 47 ALA HB2 . 36330 1 602 . 1 . 1 47 47 ALA HB3 H 1 1.409 0.030 . 1 . . . . A 47 ALA HB3 . 36330 1 603 . 1 . 1 47 47 ALA C C 13 179.248 0.300 . 1 . . . . A 47 ALA C . 36330 1 604 . 1 . 1 47 47 ALA CA C 13 55.541 0.300 . 1 . . . . A 47 ALA CA . 36330 1 605 . 1 . 1 47 47 ALA CB C 13 19.457 0.300 . 1 . . . . A 47 ALA CB . 36330 1 606 . 1 . 1 47 47 ALA N N 15 120.922 0.300 . 1 . . . . A 47 ALA N . 36330 1 607 . 1 . 1 48 48 LYS H H 1 7.538 0.030 . 1 . . . . A 48 LYS H . 36330 1 608 . 1 . 1 48 48 LYS HA H 1 4.136 0.030 . 1 . . . . A 48 LYS HA . 36330 1 609 . 1 . 1 48 48 LYS HB2 H 1 1.922 0.030 . 1 . . . . A 48 LYS HB2 . 36330 1 610 . 1 . 1 48 48 LYS HB3 H 1 1.922 0.030 . 1 . . . . A 48 LYS HB3 . 36330 1 611 . 1 . 1 48 48 LYS HG2 H 1 1.487 0.030 . 2 . . . . A 48 LYS HG2 . 36330 1 612 . 1 . 1 48 48 LYS HG3 H 1 1.529 0.030 . 2 . . . . A 48 LYS HG3 . 36330 1 613 . 1 . 1 48 48 LYS HD2 H 1 1.719 0.030 . 1 . . . . A 48 LYS HD2 . 36330 1 614 . 1 . 1 48 48 LYS HD3 H 1 1.719 0.030 . 1 . . . . A 48 LYS HD3 . 36330 1 615 . 1 . 1 48 48 LYS HE2 H 1 3.015 0.030 . 1 . . . . A 48 LYS HE2 . 36330 1 616 . 1 . 1 48 48 LYS HE3 H 1 3.015 0.030 . 1 . . . . A 48 LYS HE3 . 36330 1 617 . 1 . 1 48 48 LYS C C 13 179.199 0.300 . 1 . . . . A 48 LYS C . 36330 1 618 . 1 . 1 48 48 LYS CA C 13 58.707 0.300 . 1 . . . . A 48 LYS CA . 36330 1 619 . 1 . 1 48 48 LYS CB C 13 32.418 0.300 . 1 . . . . A 48 LYS CB . 36330 1 620 . 1 . 1 48 48 LYS CG C 13 24.799 0.300 . 1 . . . . A 48 LYS CG . 36330 1 621 . 1 . 1 48 48 LYS CD C 13 29.105 0.300 . 1 . . . . A 48 LYS CD . 36330 1 622 . 1 . 1 48 48 LYS CE C 13 42.224 0.300 . 1 . . . . A 48 LYS CE . 36330 1 623 . 1 . 1 48 48 LYS N N 15 116.122 0.300 . 1 . . . . A 48 LYS N . 36330 1 624 . 1 . 1 49 49 LYS H H 1 7.530 0.030 . 1 . . . . A 49 LYS H . 36330 1 625 . 1 . 1 49 49 LYS HA H 1 4.134 0.030 . 1 . . . . A 49 LYS HA . 36330 1 626 . 1 . 1 49 49 LYS HB2 H 1 1.918 0.030 . 1 . . . . A 49 LYS HB2 . 36330 1 627 . 1 . 1 49 49 LYS HB3 H 1 1.918 0.030 . 1 . . . . A 49 LYS HB3 . 36330 1 628 . 1 . 1 49 49 LYS HG2 H 1 1.521 0.030 . 1 . . . . A 49 LYS HG2 . 36330 1 629 . 1 . 1 49 49 LYS HG3 H 1 1.521 0.030 . 1 . . . . A 49 LYS HG3 . 36330 1 630 . 1 . 1 49 49 LYS HD2 H 1 1.528 0.030 . 1 . . . . A 49 LYS HD2 . 36330 1 631 . 1 . 1 49 49 LYS HD3 H 1 1.528 0.030 . 1 . . . . A 49 LYS HD3 . 36330 1 632 . 1 . 1 49 49 LYS HE2 H 1 3.036 0.030 . 1 . . . . A 49 LYS HE2 . 36330 1 633 . 1 . 1 49 49 LYS HE3 H 1 3.036 0.030 . 1 . . . . A 49 LYS HE3 . 36330 1 634 . 1 . 1 49 49 LYS C C 13 177.886 0.300 . 1 . . . . A 49 LYS C . 36330 1 635 . 1 . 1 49 49 LYS CA C 13 58.680 0.300 . 1 . . . . A 49 LYS CA . 36330 1 636 . 1 . 1 49 49 LYS CB C 13 32.522 0.300 . 1 . . . . A 49 LYS CB . 36330 1 637 . 1 . 1 49 49 LYS CG C 13 24.761 0.300 . 1 . . . . A 49 LYS CG . 36330 1 638 . 1 . 1 49 49 LYS CD C 13 27.404 0.300 . 1 . . . . A 49 LYS CD . 36330 1 639 . 1 . 1 49 49 LYS CE C 13 42.208 0.300 . 1 . . . . A 49 LYS CE . 36330 1 640 . 1 . 1 49 49 LYS N N 15 120.160 0.300 . 1 . . . . A 49 LYS N . 36330 1 641 . 1 . 1 50 50 ALA H H 1 8.422 0.030 . 1 . . . . A 50 ALA H . 36330 1 642 . 1 . 1 50 50 ALA HA H 1 4.451 0.030 . 1 . . . . A 50 ALA HA . 36330 1 643 . 1 . 1 50 50 ALA HB1 H 1 1.280 0.030 . 1 . . . . A 50 ALA HB1 . 36330 1 644 . 1 . 1 50 50 ALA HB2 H 1 1.280 0.030 . 1 . . . . A 50 ALA HB2 . 36330 1 645 . 1 . 1 50 50 ALA HB3 H 1 1.280 0.030 . 1 . . . . A 50 ALA HB3 . 36330 1 646 . 1 . 1 50 50 ALA C C 13 177.552 0.300 . 1 . . . . A 50 ALA C . 36330 1 647 . 1 . 1 50 50 ALA CA C 13 52.214 0.300 . 1 . . . . A 50 ALA CA . 36330 1 648 . 1 . 1 50 50 ALA CB C 13 19.385 0.300 . 1 . . . . A 50 ALA CB . 36330 1 649 . 1 . 1 50 50 ALA N N 15 118.460 0.300 . 1 . . . . A 50 ALA N . 36330 1 650 . 1 . 1 51 51 GLY H H 1 7.614 0.030 . 1 . . . . A 51 GLY H . 36330 1 651 . 1 . 1 51 51 GLY HA2 H 1 3.896 0.030 . 1 . . . . A 51 GLY HA2 . 36330 1 652 . 1 . 1 51 51 GLY HA3 H 1 3.896 0.030 . 1 . . . . A 51 GLY HA3 . 36330 1 653 . 1 . 1 51 51 GLY C C 13 175.225 0.300 . 1 . . . . A 51 GLY C . 36330 1 654 . 1 . 1 51 51 GLY CA C 13 46.890 0.300 . 1 . . . . A 51 GLY CA . 36330 1 655 . 1 . 1 51 51 GLY N N 15 107.593 0.300 . 1 . . . . A 51 GLY N . 36330 1 656 . 1 . 1 52 52 ILE H H 1 7.875 0.030 . 1 . . . . A 52 ILE H . 36330 1 657 . 1 . 1 52 52 ILE HA H 1 4.028 0.030 . 1 . . . . A 52 ILE HA . 36330 1 658 . 1 . 1 52 52 ILE HB H 1 1.714 0.030 . 1 . . . . A 52 ILE HB . 36330 1 659 . 1 . 1 52 52 ILE HG12 H 1 1.048 0.030 . 2 . . . . A 52 ILE HG12 . 36330 1 660 . 1 . 1 52 52 ILE HG13 H 1 1.496 0.030 . 2 . . . . A 52 ILE HG13 . 36330 1 661 . 1 . 1 52 52 ILE HG21 H 1 0.945 0.030 . 1 . . . . A 52 ILE HG21 . 36330 1 662 . 1 . 1 52 52 ILE HG22 H 1 0.945 0.030 . 1 . . . . A 52 ILE HG22 . 36330 1 663 . 1 . 1 52 52 ILE HG23 H 1 0.945 0.030 . 1 . . . . A 52 ILE HG23 . 36330 1 664 . 1 . 1 52 52 ILE HD11 H 1 0.627 0.030 . 1 . . . . A 52 ILE HD11 . 36330 1 665 . 1 . 1 52 52 ILE HD12 H 1 0.627 0.030 . 1 . . . . A 52 ILE HD12 . 36330 1 666 . 1 . 1 52 52 ILE HD13 H 1 0.627 0.030 . 1 . . . . A 52 ILE HD13 . 36330 1 667 . 1 . 1 52 52 ILE C C 13 175.429 0.300 . 1 . . . . A 52 ILE C . 36330 1 668 . 1 . 1 52 52 ILE CA C 13 61.327 0.300 . 1 . . . . A 52 ILE CA . 36330 1 669 . 1 . 1 52 52 ILE CB C 13 38.269 0.300 . 1 . . . . A 52 ILE CB . 36330 1 670 . 1 . 1 52 52 ILE CG1 C 13 27.865 0.300 . 1 . . . . A 52 ILE CG1 . 36330 1 671 . 1 . 1 52 52 ILE CG2 C 13 17.523 0.300 . 1 . . . . A 52 ILE CG2 . 36330 1 672 . 1 . 1 52 52 ILE CD1 C 13 12.191 0.300 . 1 . . . . A 52 ILE CD1 . 36330 1 673 . 1 . 1 52 52 ILE N N 15 119.697 0.300 . 1 . . . . A 52 ILE N . 36330 1 674 . 1 . 1 53 53 SER H H 1 8.504 0.030 . 1 . . . . A 53 SER H . 36330 1 675 . 1 . 1 53 53 SER HA H 1 4.340 0.030 . 1 . . . . A 53 SER HA . 36330 1 676 . 1 . 1 53 53 SER HB2 H 1 4.110 0.030 . 2 . . . . A 53 SER HB2 . 36330 1 677 . 1 . 1 53 53 SER HB3 H 1 4.355 0.030 . 2 . . . . A 53 SER HB3 . 36330 1 678 . 1 . 1 53 53 SER C C 13 174.122 0.300 . 1 . . . . A 53 SER C . 36330 1 679 . 1 . 1 53 53 SER CA C 13 58.040 0.300 . 1 . . . . A 53 SER CA . 36330 1 680 . 1 . 1 53 53 SER CB C 13 64.761 0.300 . 1 . . . . A 53 SER CB . 36330 1 681 . 1 . 1 53 53 SER N N 15 123.574 0.300 . 1 . . . . A 53 SER N . 36330 1 682 . 1 . 1 54 54 GLU H H 1 8.858 0.030 . 1 . . . . A 54 GLU H . 36330 1 683 . 1 . 1 54 54 GLU HA H 1 3.968 0.030 . 1 . . . . A 54 GLU HA . 36330 1 684 . 1 . 1 54 54 GLU HB2 H 1 2.115 0.030 . 1 . . . . A 54 GLU HB2 . 36330 1 685 . 1 . 1 54 54 GLU HB3 H 1 2.115 0.030 . 1 . . . . A 54 GLU HB3 . 36330 1 686 . 1 . 1 54 54 GLU HG2 H 1 2.364 0.030 . 1 . . . . A 54 GLU HG2 . 36330 1 687 . 1 . 1 54 54 GLU HG3 H 1 2.364 0.030 . 1 . . . . A 54 GLU HG3 . 36330 1 688 . 1 . 1 54 54 GLU C C 13 178.703 0.300 . 1 . . . . A 54 GLU C . 36330 1 689 . 1 . 1 54 54 GLU CA C 13 59.999 0.300 . 1 . . . . A 54 GLU CA . 36330 1 690 . 1 . 1 54 54 GLU CB C 13 29.482 0.300 . 1 . . . . A 54 GLU CB . 36330 1 691 . 1 . 1 54 54 GLU CG C 13 36.474 0.300 . 1 . . . . A 54 GLU CG . 36330 1 692 . 1 . 1 54 54 GLU N N 15 121.511 0.300 . 1 . . . . A 54 GLU N . 36330 1 693 . 1 . 1 55 55 GLU H H 1 8.614 0.030 . 1 . . . . A 55 GLU H . 36330 1 694 . 1 . 1 55 55 GLU HA H 1 4.046 0.030 . 1 . . . . A 55 GLU HA . 36330 1 695 . 1 . 1 55 55 GLU HB2 H 1 1.985 0.030 . 2 . . . . A 55 GLU HB2 . 36330 1 696 . 1 . 1 55 55 GLU HB3 H 1 2.149 0.030 . 2 . . . . A 55 GLU HB3 . 36330 1 697 . 1 . 1 55 55 GLU HG2 H 1 2.365 0.030 . 1 . . . . A 55 GLU HG2 . 36330 1 698 . 1 . 1 55 55 GLU HG3 H 1 2.365 0.030 . 1 . . . . A 55 GLU HG3 . 36330 1 699 . 1 . 1 55 55 GLU C C 13 178.553 0.300 . 1 . . . . A 55 GLU C . 36330 1 700 . 1 . 1 55 55 GLU CA C 13 59.718 0.300 . 1 . . . . A 55 GLU CA . 36330 1 701 . 1 . 1 55 55 GLU CB C 13 28.871 0.300 . 1 . . . . A 55 GLU CB . 36330 1 702 . 1 . 1 55 55 GLU CG C 13 36.234 0.300 . 1 . . . . A 55 GLU CG . 36330 1 703 . 1 . 1 55 55 GLU N N 15 118.470 0.300 . 1 . . . . A 55 GLU N . 36330 1 704 . 1 . 1 56 56 LEU H H 1 7.548 0.030 . 1 . . . . A 56 LEU H . 36330 1 705 . 1 . 1 56 56 LEU HA H 1 4.137 0.030 . 1 . . . . A 56 LEU HA . 36330 1 706 . 1 . 1 56 56 LEU HB2 H 1 1.677 0.030 . 1 . . . . A 56 LEU HB2 . 36330 1 707 . 1 . 1 56 56 LEU HB3 H 1 1.677 0.030 . 1 . . . . A 56 LEU HB3 . 36330 1 708 . 1 . 1 56 56 LEU HD11 H 1 0.920 0.030 . 2 . . . . A 56 LEU HD11 . 36330 1 709 . 1 . 1 56 56 LEU HD12 H 1 0.920 0.030 . 2 . . . . A 56 LEU HD12 . 36330 1 710 . 1 . 1 56 56 LEU HD13 H 1 0.920 0.030 . 2 . . . . A 56 LEU HD13 . 36330 1 711 . 1 . 1 56 56 LEU HD21 H 1 0.894 0.030 . 2 . . . . A 56 LEU HD21 . 36330 1 712 . 1 . 1 56 56 LEU HD22 H 1 0.894 0.030 . 2 . . . . A 56 LEU HD22 . 36330 1 713 . 1 . 1 56 56 LEU HD23 H 1 0.894 0.030 . 2 . . . . A 56 LEU HD23 . 36330 1 714 . 1 . 1 56 56 LEU C C 13 178.483 0.300 . 1 . . . . A 56 LEU C . 36330 1 715 . 1 . 1 56 56 LEU CA C 13 57.411 0.300 . 1 . . . . A 56 LEU CA . 36330 1 716 . 1 . 1 56 56 LEU CB C 13 41.439 0.300 . 1 . . . . A 56 LEU CB . 36330 1 717 . 1 . 1 56 56 LEU CD1 C 13 23.930 0.300 . 2 . . . . A 56 LEU CD1 . 36330 1 718 . 1 . 1 56 56 LEU CD2 C 13 25.537 0.300 . 2 . . . . A 56 LEU CD2 . 36330 1 719 . 1 . 1 56 56 LEU N N 15 121.400 0.300 . 1 . . . . A 56 LEU N . 36330 1 720 . 1 . 1 57 57 LEU H H 1 8.696 0.030 . 1 . . . . A 57 LEU H . 36330 1 721 . 1 . 1 57 57 LEU HA H 1 3.765 0.030 . 1 . . . . A 57 LEU HA . 36330 1 722 . 1 . 1 57 57 LEU HB2 H 1 1.275 0.030 . 2 . . . . A 57 LEU HB2 . 36330 1 723 . 1 . 1 57 57 LEU HB3 H 1 2.096 0.030 . 2 . . . . A 57 LEU HB3 . 36330 1 724 . 1 . 1 57 57 LEU HG H 1 1.487 0.030 . 1 . . . . A 57 LEU HG . 36330 1 725 . 1 . 1 57 57 LEU HD11 H 1 0.699 0.030 . 2 . . . . A 57 LEU HD11 . 36330 1 726 . 1 . 1 57 57 LEU HD12 H 1 0.699 0.030 . 2 . . . . A 57 LEU HD12 . 36330 1 727 . 1 . 1 57 57 LEU HD13 H 1 0.699 0.030 . 2 . . . . A 57 LEU HD13 . 36330 1 728 . 1 . 1 57 57 LEU HD21 H 1 0.901 0.030 . 2 . . . . A 57 LEU HD21 . 36330 1 729 . 1 . 1 57 57 LEU HD22 H 1 0.901 0.030 . 2 . . . . A 57 LEU HD22 . 36330 1 730 . 1 . 1 57 57 LEU HD23 H 1 0.901 0.030 . 2 . . . . A 57 LEU HD23 . 36330 1 731 . 1 . 1 57 57 LEU C C 13 177.883 0.300 . 1 . . . . A 57 LEU C . 36330 1 732 . 1 . 1 57 57 LEU CA C 13 58.494 0.300 . 1 . . . . A 57 LEU CA . 36330 1 733 . 1 . 1 57 57 LEU CB C 13 41.175 0.300 . 1 . . . . A 57 LEU CB . 36330 1 734 . 1 . 1 57 57 LEU CG C 13 27.019 0.300 . 1 . . . . A 57 LEU CG . 36330 1 735 . 1 . 1 57 57 LEU CD1 C 13 24.093 0.300 . 2 . . . . A 57 LEU CD1 . 36330 1 736 . 1 . 1 57 57 LEU CD2 C 13 26.059 0.300 . 2 . . . . A 57 LEU CD2 . 36330 1 737 . 1 . 1 57 57 LEU N N 15 121.222 0.300 . 1 . . . . A 57 LEU N . 36330 1 738 . 1 . 1 58 58 ARG H H 1 8.072 0.030 . 1 . . . . A 58 ARG H . 36330 1 739 . 1 . 1 58 58 ARG HA H 1 3.879 0.030 . 1 . . . . A 58 ARG HA . 36330 1 740 . 1 . 1 58 58 ARG HG2 H 1 1.653 0.030 . 1 . . . . A 58 ARG HG2 . 36330 1 741 . 1 . 1 58 58 ARG HG3 H 1 1.653 0.030 . 1 . . . . A 58 ARG HG3 . 36330 1 742 . 1 . 1 58 58 ARG HD2 H 1 3.243 0.030 . 1 . . . . A 58 ARG HD2 . 36330 1 743 . 1 . 1 58 58 ARG HD3 H 1 3.243 0.030 . 1 . . . . A 58 ARG HD3 . 36330 1 744 . 1 . 1 58 58 ARG HE H 1 8.075 0.030 . 1 . . . . A 58 ARG HE . 36330 1 745 . 1 . 1 58 58 ARG C C 13 179.389 0.300 . 1 . . . . A 58 ARG C . 36330 1 746 . 1 . 1 58 58 ARG CA C 13 60.129 0.300 . 1 . . . . A 58 ARG CA . 36330 1 747 . 1 . 1 58 58 ARG CB C 13 30.056 0.300 . 1 . . . . A 58 ARG CB . 36330 1 748 . 1 . 1 58 58 ARG CG C 13 27.951 0.300 . 1 . . . . A 58 ARG CG . 36330 1 749 . 1 . 1 58 58 ARG CD C 13 43.638 0.300 . 1 . . . . A 58 ARG CD . 36330 1 750 . 1 . 1 58 58 ARG N N 15 116.619 0.300 . 1 . . . . A 58 ARG N . 36330 1 751 . 1 . 1 59 59 ARG H H 1 7.383 0.030 . 1 . . . . A 59 ARG H . 36330 1 752 . 1 . 1 59 59 ARG HA H 1 4.177 0.030 . 1 . . . . A 59 ARG HA . 36330 1 753 . 1 . 1 59 59 ARG HB2 H 1 2.039 0.030 . 1 . . . . A 59 ARG HB2 . 36330 1 754 . 1 . 1 59 59 ARG HB3 H 1 2.039 0.030 . 1 . . . . A 59 ARG HB3 . 36330 1 755 . 1 . 1 59 59 ARG HG2 H 1 1.736 0.030 . 2 . . . . A 59 ARG HG2 . 36330 1 756 . 1 . 1 59 59 ARG HG3 H 1 1.912 0.030 . 2 . . . . A 59 ARG HG3 . 36330 1 757 . 1 . 1 59 59 ARG HE H 1 7.931 0.030 . 1 . . . . A 59 ARG HE . 36330 1 758 . 1 . 1 59 59 ARG C C 13 178.947 0.300 . 1 . . . . A 59 ARG C . 36330 1 759 . 1 . 1 59 59 ARG CA C 13 59.367 0.300 . 1 . . . . A 59 ARG CA . 36330 1 760 . 1 . 1 59 59 ARG CB C 13 30.291 0.300 . 1 . . . . A 59 ARG CB . 36330 1 761 . 1 . 1 59 59 ARG CG C 13 27.834 0.300 . 1 . . . . A 59 ARG CG . 36330 1 762 . 1 . 1 59 59 ARG CD C 13 44.004 0.300 . 1 . . . . A 59 ARG CD . 36330 1 763 . 1 . 1 59 59 ARG N N 15 118.865 0.300 . 1 . . . . A 59 ARG N . 36330 1 764 . 1 . 1 59 59 ARG NE N 15 85.842 0.300 . 1 . . . . A 59 ARG NE . 36330 1 765 . 1 . 1 60 60 ILE H H 1 8.547 0.030 . 1 . . . . A 60 ILE H . 36330 1 766 . 1 . 1 60 60 ILE HA H 1 3.383 0.030 . 1 . . . . A 60 ILE HA . 36330 1 767 . 1 . 1 60 60 ILE HB H 1 1.657 0.030 . 1 . . . . A 60 ILE HB . 36330 1 768 . 1 . 1 60 60 ILE HG12 H 1 0.621 0.030 . 2 . . . . A 60 ILE HG12 . 36330 1 769 . 1 . 1 60 60 ILE HG13 H 1 1.851 0.030 . 2 . . . . A 60 ILE HG13 . 36330 1 770 . 1 . 1 60 60 ILE HG21 H 1 0.485 0.030 . 1 . . . . A 60 ILE HG21 . 36330 1 771 . 1 . 1 60 60 ILE HG22 H 1 0.485 0.030 . 1 . . . . A 60 ILE HG22 . 36330 1 772 . 1 . 1 60 60 ILE HG23 H 1 0.485 0.030 . 1 . . . . A 60 ILE HG23 . 36330 1 773 . 1 . 1 60 60 ILE HD11 H 1 0.632 0.030 . 1 . . . . A 60 ILE HD11 . 36330 1 774 . 1 . 1 60 60 ILE HD12 H 1 0.632 0.030 . 1 . . . . A 60 ILE HD12 . 36330 1 775 . 1 . 1 60 60 ILE HD13 H 1 0.632 0.030 . 1 . . . . A 60 ILE HD13 . 36330 1 776 . 1 . 1 60 60 ILE C C 13 177.764 0.300 . 1 . . . . A 60 ILE C . 36330 1 777 . 1 . 1 60 60 ILE CA C 13 65.594 0.300 . 1 . . . . A 60 ILE CA . 36330 1 778 . 1 . 1 60 60 ILE CB C 13 38.133 0.300 . 1 . . . . A 60 ILE CB . 36330 1 779 . 1 . 1 60 60 ILE CG1 C 13 28.881 0.300 . 1 . . . . A 60 ILE CG1 . 36330 1 780 . 1 . 1 60 60 ILE CG2 C 13 17.985 0.300 . 1 . . . . A 60 ILE CG2 . 36330 1 781 . 1 . 1 60 60 ILE CD1 C 13 14.770 0.300 . 1 . . . . A 60 ILE CD1 . 36330 1 782 . 1 . 1 60 60 ILE N N 15 120.967 0.300 . 1 . . . . A 60 ILE N . 36330 1 783 . 1 . 1 61 61 LEU H H 1 8.573 0.030 . 1 . . . . A 61 LEU H . 36330 1 784 . 1 . 1 61 61 LEU HA H 1 3.855 0.030 . 1 . . . . A 61 LEU HA . 36330 1 785 . 1 . 1 61 61 LEU HB2 H 1 1.364 0.030 . 2 . . . . A 61 LEU HB2 . 36330 1 786 . 1 . 1 61 61 LEU HB3 H 1 1.922 0.030 . 2 . . . . A 61 LEU HB3 . 36330 1 787 . 1 . 1 61 61 LEU HD11 H 1 0.757 0.030 . 2 . . . . A 61 LEU HD11 . 36330 1 788 . 1 . 1 61 61 LEU HD12 H 1 0.757 0.030 . 2 . . . . A 61 LEU HD12 . 36330 1 789 . 1 . 1 61 61 LEU HD13 H 1 0.757 0.030 . 2 . . . . A 61 LEU HD13 . 36330 1 790 . 1 . 1 61 61 LEU C C 13 178.896 0.300 . 1 . . . . A 61 LEU C . 36330 1 791 . 1 . 1 61 61 LEU CA C 13 58.386 0.300 . 1 . . . . A 61 LEU CA . 36330 1 792 . 1 . 1 61 61 LEU CB C 13 41.081 0.300 . 1 . . . . A 61 LEU CB . 36330 1 793 . 1 . 1 61 61 LEU CD1 C 13 23.307 0.300 . 2 . . . . A 61 LEU CD1 . 36330 1 794 . 1 . 1 61 61 LEU N N 15 118.413 0.300 . 1 . . . . A 61 LEU N . 36330 1 795 . 1 . 1 62 62 GLN H H 1 7.819 0.030 . 1 . . . . A 62 GLN H . 36330 1 796 . 1 . 1 62 62 GLN HA H 1 3.977 0.030 . 1 . . . . A 62 GLN HA . 36330 1 797 . 1 . 1 62 62 GLN HB2 H 1 2.267 0.030 . 1 . . . . A 62 GLN HB2 . 36330 1 798 . 1 . 1 62 62 GLN HB3 H 1 2.267 0.030 . 1 . . . . A 62 GLN HB3 . 36330 1 799 . 1 . 1 62 62 GLN HG2 H 1 2.499 0.030 . 1 . . . . A 62 GLN HG2 . 36330 1 800 . 1 . 1 62 62 GLN HG3 H 1 2.499 0.030 . 1 . . . . A 62 GLN HG3 . 36330 1 801 . 1 . 1 62 62 GLN HE21 H 1 6.943 0.030 . 2 . . . . A 62 GLN HE21 . 36330 1 802 . 1 . 1 62 62 GLN HE22 H 1 7.956 0.030 . 2 . . . . A 62 GLN HE22 . 36330 1 803 . 1 . 1 62 62 GLN C C 13 177.874 0.300 . 1 . . . . A 62 GLN C . 36330 1 804 . 1 . 1 62 62 GLN CA C 13 59.172 0.300 . 1 . . . . A 62 GLN CA . 36330 1 805 . 1 . 1 62 62 GLN CB C 13 28.414 0.300 . 1 . . . . A 62 GLN CB . 36330 1 806 . 1 . 1 62 62 GLN CG C 13 33.707 0.300 . 1 . . . . A 62 GLN CG . 36330 1 807 . 1 . 1 62 62 GLN N N 15 118.109 0.300 . 1 . . . . A 62 GLN N . 36330 1 808 . 1 . 1 62 62 GLN NE2 N 15 115.077 0.300 . 1 . . . . A 62 GLN NE2 . 36330 1 809 . 1 . 1 63 63 SER H H 1 8.141 0.030 . 1 . . . . A 63 SER H . 36330 1 810 . 1 . 1 63 63 SER HA H 1 4.484 0.030 . 1 . . . . A 63 SER HA . 36330 1 811 . 1 . 1 63 63 SER HB2 H 1 3.994 0.030 . 2 . . . . A 63 SER HB2 . 36330 1 812 . 1 . 1 63 63 SER HB3 H 1 4.160 0.030 . 2 . . . . A 63 SER HB3 . 36330 1 813 . 1 . 1 63 63 SER C C 13 178.303 0.300 . 1 . . . . A 63 SER C . 36330 1 814 . 1 . 1 63 63 SER CA C 13 62.864 0.300 . 1 . . . . A 63 SER CA . 36330 1 815 . 1 . 1 63 63 SER CB C 13 63.043 0.300 . 1 . . . . A 63 SER CB . 36330 1 816 . 1 . 1 63 63 SER N N 15 115.861 0.300 . 1 . . . . A 63 SER N . 36330 1 817 . 1 . 1 64 64 PHE H H 1 8.985 0.030 . 1 . . . . A 64 PHE H . 36330 1 818 . 1 . 1 64 64 PHE HA H 1 4.235 0.030 . 1 . . . . A 64 PHE HA . 36330 1 819 . 1 . 1 64 64 PHE HB2 H 1 2.735 0.030 . 2 . . . . A 64 PHE HB2 . 36330 1 820 . 1 . 1 64 64 PHE HB3 H 1 3.240 0.030 . 2 . . . . A 64 PHE HB3 . 36330 1 821 . 1 . 1 64 64 PHE HD1 H 1 6.997 0.030 . 1 . . . . A 64 PHE HD1 . 36330 1 822 . 1 . 1 64 64 PHE HD2 H 1 6.997 0.030 . 1 . . . . A 64 PHE HD2 . 36330 1 823 . 1 . 1 64 64 PHE HE1 H 1 7.258 0.030 . 1 . . . . A 64 PHE HE1 . 36330 1 824 . 1 . 1 64 64 PHE HE2 H 1 7.258 0.030 . 1 . . . . A 64 PHE HE2 . 36330 1 825 . 1 . 1 64 64 PHE HZ H 1 7.128 0.030 . 1 . . . . A 64 PHE HZ . 36330 1 826 . 1 . 1 64 64 PHE C C 13 177.536 0.300 . 1 . . . . A 64 PHE C . 36330 1 827 . 1 . 1 64 64 PHE CA C 13 62.111 0.300 . 1 . . . . A 64 PHE CA . 36330 1 828 . 1 . 1 64 64 PHE CB C 13 39.555 0.300 . 1 . . . . A 64 PHE CB . 36330 1 829 . 1 . 1 64 64 PHE CD1 C 13 131.410 0.300 . 1 . . . . A 64 PHE CD1 . 36330 1 830 . 1 . 1 64 64 PHE CD2 C 13 131.410 0.300 . 1 . . . . A 64 PHE CD2 . 36330 1 831 . 1 . 1 64 64 PHE CE1 C 13 130.416 0.300 . 1 . . . . A 64 PHE CE1 . 36330 1 832 . 1 . 1 64 64 PHE CE2 C 13 130.416 0.300 . 1 . . . . A 64 PHE CE2 . 36330 1 833 . 1 . 1 64 64 PHE CZ C 13 129.616 0.300 . 1 . . . . A 64 PHE CZ . 36330 1 834 . 1 . 1 64 64 PHE N N 15 123.610 0.300 . 1 . . . . A 64 PHE N . 36330 1 835 . 1 . 1 65 65 ARG H H 1 8.363 0.030 . 1 . . . . A 65 ARG H . 36330 1 836 . 1 . 1 65 65 ARG HA H 1 3.969 0.030 . 1 . . . . A 65 ARG HA . 36330 1 837 . 1 . 1 65 65 ARG HB2 H 1 2.020 0.030 . 1 . . . . A 65 ARG HB2 . 36330 1 838 . 1 . 1 65 65 ARG HB3 H 1 2.020 0.030 . 1 . . . . A 65 ARG HB3 . 36330 1 839 . 1 . 1 65 65 ARG HG2 H 1 2.024 0.030 . 1 . . . . A 65 ARG HG2 . 36330 1 840 . 1 . 1 65 65 ARG HG3 H 1 2.024 0.030 . 1 . . . . A 65 ARG HG3 . 36330 1 841 . 1 . 1 65 65 ARG HD2 H 1 3.119 0.030 . 2 . . . . A 65 ARG HD2 . 36330 1 842 . 1 . 1 65 65 ARG HD3 H 1 3.314 0.030 . 2 . . . . A 65 ARG HD3 . 36330 1 843 . 1 . 1 65 65 ARG C C 13 178.482 0.300 . 1 . . . . A 65 ARG C . 36330 1 844 . 1 . 1 65 65 ARG CA C 13 59.156 0.300 . 1 . . . . A 65 ARG CA . 36330 1 845 . 1 . 1 65 65 ARG CB C 13 30.757 0.300 . 1 . . . . A 65 ARG CB . 36330 1 846 . 1 . 1 65 65 ARG CG C 13 27.990 0.300 . 1 . . . . A 65 ARG CG . 36330 1 847 . 1 . 1 65 65 ARG CD C 13 44.050 0.300 . 1 . . . . A 65 ARG CD . 36330 1 848 . 1 . 1 65 65 ARG N N 15 119.442 0.300 . 1 . . . . A 65 ARG N . 36330 1 849 . 1 . 1 66 66 ASP H H 1 8.284 0.030 . 1 . . . . A 66 ASP H . 36330 1 850 . 1 . 1 66 66 ASP HA H 1 4.543 0.030 . 1 . . . . A 66 ASP HA . 36330 1 851 . 1 . 1 66 66 ASP HB2 H 1 2.849 0.030 . 2 . . . . A 66 ASP HB2 . 36330 1 852 . 1 . 1 66 66 ASP HB3 H 1 3.037 0.030 . 2 . . . . A 66 ASP HB3 . 36330 1 853 . 1 . 1 66 66 ASP C C 13 179.097 0.300 . 1 . . . . A 66 ASP C . 36330 1 854 . 1 . 1 66 66 ASP CA C 13 56.641 0.300 . 1 . . . . A 66 ASP CA . 36330 1 855 . 1 . 1 66 66 ASP CB C 13 41.219 0.300 . 1 . . . . A 66 ASP CB . 36330 1 856 . 1 . 1 66 66 ASP N N 15 118.730 0.300 . 1 . . . . A 66 ASP N . 36330 1 857 . 1 . 1 67 67 GLY H H 1 7.450 0.030 . 1 . . . . A 67 GLY H . 36330 1 858 . 1 . 1 67 67 GLY HA2 H 1 3.935 0.030 . 1 . . . . A 67 GLY HA2 . 36330 1 859 . 1 . 1 67 67 GLY HA3 H 1 3.935 0.030 . 1 . . . . A 67 GLY HA3 . 36330 1 860 . 1 . 1 67 67 GLY C C 13 175.007 0.300 . 1 . . . . A 67 GLY C . 36330 1 861 . 1 . 1 67 67 GLY CA C 13 47.163 0.300 . 1 . . . . A 67 GLY CA . 36330 1 862 . 1 . 1 67 67 GLY N N 15 104.771 0.300 . 1 . . . . A 67 GLY N . 36330 1 863 . 1 . 1 68 68 GLN H H 1 8.666 0.030 . 1 . . . . A 68 GLN H . 36330 1 864 . 1 . 1 68 68 GLN HA H 1 4.075 0.030 . 1 . . . . A 68 GLN HA . 36330 1 865 . 1 . 1 68 68 GLN HB2 H 1 1.724 0.030 . 1 . . . . A 68 GLN HB2 . 36330 1 866 . 1 . 1 68 68 GLN HB3 H 1 1.724 0.030 . 1 . . . . A 68 GLN HB3 . 36330 1 867 . 1 . 1 68 68 GLN HG2 H 1 1.959 0.030 . 2 . . . . A 68 GLN HG2 . 36330 1 868 . 1 . 1 68 68 GLN HG3 H 1 2.093 0.030 . 2 . . . . A 68 GLN HG3 . 36330 1 869 . 1 . 1 68 68 GLN HE21 H 1 7.413 0.030 . 2 . . . . A 68 GLN HE21 . 36330 1 870 . 1 . 1 68 68 GLN HE22 H 1 6.798 0.030 . 2 . . . . A 68 GLN HE22 . 36330 1 871 . 1 . 1 68 68 GLN C C 13 175.400 0.300 . 1 . . . . A 68 GLN C . 36330 1 872 . 1 . 1 68 68 GLN CA C 13 56.848 0.300 . 1 . . . . A 68 GLN CA . 36330 1 873 . 1 . 1 68 68 GLN CB C 13 29.173 0.300 . 1 . . . . A 68 GLN CB . 36330 1 874 . 1 . 1 68 68 GLN CG C 13 33.833 0.300 . 1 . . . . A 68 GLN CG . 36330 1 875 . 1 . 1 68 68 GLN N N 15 118.870 0.300 . 1 . . . . A 68 GLN N . 36330 1 876 . 1 . 1 68 68 GLN NE2 N 15 112.444 0.300 . 1 . . . . A 68 GLN NE2 . 36330 1 877 . 1 . 1 69 69 TYR H H 1 7.984 0.030 . 1 . . . . A 69 TYR H . 36330 1 878 . 1 . 1 69 69 TYR HA H 1 4.502 0.030 . 1 . . . . A 69 TYR HA . 36330 1 879 . 1 . 1 69 69 TYR HB2 H 1 2.444 0.030 . 2 . . . . A 69 TYR HB2 . 36330 1 880 . 1 . 1 69 69 TYR HB3 H 1 2.655 0.030 . 2 . . . . A 69 TYR HB3 . 36330 1 881 . 1 . 1 69 69 TYR HD1 H 1 6.948 0.030 . 1 . . . . A 69 TYR HD1 . 36330 1 882 . 1 . 1 69 69 TYR HD2 H 1 6.948 0.030 . 1 . . . . A 69 TYR HD2 . 36330 1 883 . 1 . 1 69 69 TYR HE1 H 1 6.757 0.030 . 1 . . . . A 69 TYR HE1 . 36330 1 884 . 1 . 1 69 69 TYR HE2 H 1 6.757 0.030 . 1 . . . . A 69 TYR HE2 . 36330 1 885 . 1 . 1 69 69 TYR C C 13 174.557 0.300 . 1 . . . . A 69 TYR C . 36330 1 886 . 1 . 1 69 69 TYR CA C 13 57.176 0.300 . 1 . . . . A 69 TYR CA . 36330 1 887 . 1 . 1 69 69 TYR CB C 13 41.344 0.300 . 1 . . . . A 69 TYR CB . 36330 1 888 . 1 . 1 69 69 TYR CD1 C 13 133.727 0.300 . 1 . . . . A 69 TYR CD1 . 36330 1 889 . 1 . 1 69 69 TYR CD2 C 13 133.727 0.300 . 1 . . . . A 69 TYR CD2 . 36330 1 890 . 1 . 1 69 69 TYR CE1 C 13 118.040 0.300 . 1 . . . . A 69 TYR CE1 . 36330 1 891 . 1 . 1 69 69 TYR CE2 C 13 118.040 0.300 . 1 . . . . A 69 TYR CE2 . 36330 1 892 . 1 . 1 69 69 TYR N N 15 116.310 0.300 . 1 . . . . A 69 TYR N . 36330 1 893 . 1 . 1 70 70 ASP H H 1 8.771 0.030 . 1 . . . . A 70 ASP H . 36330 1 894 . 1 . 1 70 70 ASP HA H 1 4.824 0.030 . 1 . . . . A 70 ASP HA . 36330 1 895 . 1 . 1 70 70 ASP HB2 H 1 2.942 0.030 . 2 . . . . A 70 ASP HB2 . 36330 1 896 . 1 . 1 70 70 ASP HB3 H 1 2.492 0.030 . 2 . . . . A 70 ASP HB3 . 36330 1 897 . 1 . 1 70 70 ASP C C 13 173.734 0.300 . 1 . . . . A 70 ASP C . 36330 1 898 . 1 . 1 70 70 ASP CA C 13 54.434 0.300 . 1 . . . . A 70 ASP CA . 36330 1 899 . 1 . 1 70 70 ASP CB C 13 43.093 0.300 . 1 . . . . A 70 ASP CB . 36330 1 900 . 1 . 1 70 70 ASP N N 15 119.108 0.300 . 1 . . . . A 70 ASP N . 36330 1 901 . 1 . 1 71 71 LEU H H 1 6.842 0.030 . 1 . . . . A 71 LEU H . 36330 1 902 . 1 . 1 71 71 LEU HA H 1 5.324 0.030 . 1 . . . . A 71 LEU HA . 36330 1 903 . 1 . 1 71 71 LEU HB2 H 1 1.383 0.030 . 2 . . . . A 71 LEU HB2 . 36330 1 904 . 1 . 1 71 71 LEU HB3 H 1 1.660 0.030 . 2 . . . . A 71 LEU HB3 . 36330 1 905 . 1 . 1 71 71 LEU HD11 H 1 0.827 0.030 . 1 . . . . A 71 LEU HD11 . 36330 1 906 . 1 . 1 71 71 LEU HD12 H 1 0.827 0.030 . 1 . . . . A 71 LEU HD12 . 36330 1 907 . 1 . 1 71 71 LEU HD13 H 1 0.827 0.030 . 1 . . . . A 71 LEU HD13 . 36330 1 908 . 1 . 1 71 71 LEU HD21 H 1 0.828 0.030 . 1 . . . . A 71 LEU HD21 . 36330 1 909 . 1 . 1 71 71 LEU HD22 H 1 0.828 0.030 . 1 . . . . A 71 LEU HD22 . 36330 1 910 . 1 . 1 71 71 LEU HD23 H 1 0.828 0.030 . 1 . . . . A 71 LEU HD23 . 36330 1 911 . 1 . 1 71 71 LEU C C 13 174.073 0.300 . 1 . . . . A 71 LEU C . 36330 1 912 . 1 . 1 71 71 LEU CA C 13 53.846 0.300 . 1 . . . . A 71 LEU CA . 36330 1 913 . 1 . 1 71 71 LEU CB C 13 45.958 0.300 . 1 . . . . A 71 LEU CB . 36330 1 914 . 1 . 1 71 71 LEU CD1 C 13 26.793 0.300 . 1 . . . . A 71 LEU CD1 . 36330 1 915 . 1 . 1 71 71 LEU CD2 C 13 26.793 0.300 . 1 . . . . A 71 LEU CD2 . 36330 1 916 . 1 . 1 71 71 LEU N N 15 116.426 0.300 . 1 . . . . A 71 LEU N . 36330 1 917 . 1 . 1 72 72 PHE H H 1 8.625 0.030 . 1 . . . . A 72 PHE H . 36330 1 918 . 1 . 1 72 72 PHE HA H 1 5.253 0.030 . 1 . . . . A 72 PHE HA . 36330 1 919 . 1 . 1 72 72 PHE HB2 H 1 2.829 0.030 . 2 . . . . A 72 PHE HB2 . 36330 1 920 . 1 . 1 72 72 PHE HB3 H 1 3.008 0.030 . 2 . . . . A 72 PHE HB3 . 36330 1 921 . 1 . 1 72 72 PHE HD1 H 1 7.117 0.030 . 1 . . . . A 72 PHE HD1 . 36330 1 922 . 1 . 1 72 72 PHE HD2 H 1 7.117 0.030 . 1 . . . . A 72 PHE HD2 . 36330 1 923 . 1 . 1 72 72 PHE C C 13 174.190 0.300 . 1 . . . . A 72 PHE C . 36330 1 924 . 1 . 1 72 72 PHE CA C 13 55.089 0.300 . 1 . . . . A 72 PHE CA . 36330 1 925 . 1 . 1 72 72 PHE CB C 13 41.428 0.300 . 1 . . . . A 72 PHE CB . 36330 1 926 . 1 . 1 72 72 PHE CD1 C 13 132.113 0.300 . 1 . . . . A 72 PHE CD1 . 36330 1 927 . 1 . 1 72 72 PHE CD2 C 13 132.113 0.300 . 1 . . . . A 72 PHE CD2 . 36330 1 928 . 1 . 1 72 72 PHE N N 15 120.086 0.300 . 1 . . . . A 72 PHE N . 36330 1 929 . 1 . 1 73 73 PHE H H 1 9.404 0.030 . 1 . . . . A 73 PHE H . 36330 1 930 . 1 . 1 73 73 PHE HA H 1 5.604 0.030 . 1 . . . . A 73 PHE HA . 36330 1 931 . 1 . 1 73 73 PHE HB2 H 1 2.824 0.030 . 2 . . . . A 73 PHE HB2 . 36330 1 932 . 1 . 1 73 73 PHE HB3 H 1 3.012 0.030 . 2 . . . . A 73 PHE HB3 . 36330 1 933 . 1 . 1 73 73 PHE HD1 H 1 7.009 0.030 . 3 . . . . A 73 PHE HD1 . 36330 1 934 . 1 . 1 73 73 PHE HD2 H 1 7.097 0.030 . 3 . . . . A 73 PHE HD2 . 36330 1 935 . 1 . 1 73 73 PHE HE1 H 1 6.991 0.030 . 1 . . . . A 73 PHE HE1 . 36330 1 936 . 1 . 1 73 73 PHE HE2 H 1 6.991 0.030 . 1 . . . . A 73 PHE HE2 . 36330 1 937 . 1 . 1 73 73 PHE HZ H 1 6.992 0.030 . 1 . . . . A 73 PHE HZ . 36330 1 938 . 1 . 1 73 73 PHE C C 13 174.528 0.300 . 1 . . . . A 73 PHE C . 36330 1 939 . 1 . 1 73 73 PHE CA C 13 54.962 0.300 . 1 . . . . A 73 PHE CA . 36330 1 940 . 1 . 1 73 73 PHE CB C 13 41.566 0.300 . 1 . . . . A 73 PHE CB . 36330 1 941 . 1 . 1 73 73 PHE CD1 C 13 130.874 0.300 . 1 . . . . A 73 PHE CD1 . 36330 1 942 . 1 . 1 73 73 PHE CD2 C 13 130.874 0.300 . 1 . . . . A 73 PHE CD2 . 36330 1 943 . 1 . 1 73 73 PHE CE1 C 13 128.708 0.300 . 1 . . . . A 73 PHE CE1 . 36330 1 944 . 1 . 1 73 73 PHE CE2 C 13 128.708 0.300 . 1 . . . . A 73 PHE CE2 . 36330 1 945 . 1 . 1 73 73 PHE CZ C 13 128.711 0.300 . 1 . . . . A 73 PHE CZ . 36330 1 946 . 1 . 1 73 73 PHE N N 15 124.362 0.300 . 1 . . . . A 73 PHE N . 36330 1 947 . 1 . 1 74 74 ILE H H 1 9.053 0.030 . 1 . . . . A 74 ILE H . 36330 1 948 . 1 . 1 74 74 ILE HA H 1 4.847 0.030 . 1 . . . . A 74 ILE HA . 36330 1 949 . 1 . 1 74 74 ILE HB H 1 2.122 0.030 . 1 . . . . A 74 ILE HB . 36330 1 950 . 1 . 1 74 74 ILE HG12 H 1 1.391 0.030 . 1 . . . . A 74 ILE HG12 . 36330 1 951 . 1 . 1 74 74 ILE HG13 H 1 1.391 0.030 . 1 . . . . A 74 ILE HG13 . 36330 1 952 . 1 . 1 74 74 ILE HG21 H 1 0.837 0.030 . 1 . . . . A 74 ILE HG21 . 36330 1 953 . 1 . 1 74 74 ILE HG22 H 1 0.837 0.030 . 1 . . . . A 74 ILE HG22 . 36330 1 954 . 1 . 1 74 74 ILE HG23 H 1 0.837 0.030 . 1 . . . . A 74 ILE HG23 . 36330 1 955 . 1 . 1 74 74 ILE HD11 H 1 0.784 0.030 . 1 . . . . A 74 ILE HD11 . 36330 1 956 . 1 . 1 74 74 ILE HD12 H 1 0.784 0.030 . 1 . . . . A 74 ILE HD12 . 36330 1 957 . 1 . 1 74 74 ILE HD13 H 1 0.784 0.030 . 1 . . . . A 74 ILE HD13 . 36330 1 958 . 1 . 1 74 74 ILE C C 13 173.520 0.300 . 1 . . . . A 74 ILE C . 36330 1 959 . 1 . 1 74 74 ILE CA C 13 59.814 0.300 . 1 . . . . A 74 ILE CA . 36330 1 960 . 1 . 1 74 74 ILE CB C 13 37.376 0.300 . 1 . . . . A 74 ILE CB . 36330 1 961 . 1 . 1 74 74 ILE CG1 C 13 28.480 0.300 . 1 . . . . A 74 ILE CG1 . 36330 1 962 . 1 . 1 74 74 ILE CG2 C 13 18.254 0.300 . 1 . . . . A 74 ILE CG2 . 36330 1 963 . 1 . 1 74 74 ILE CD1 C 13 13.178 0.300 . 1 . . . . A 74 ILE CD1 . 36330 1 964 . 1 . 1 74 74 ILE N N 15 124.829 0.300 . 1 . . . . A 74 ILE N . 36330 1 965 . 1 . 1 75 75 ALA H H 1 8.794 0.030 . 1 . . . . A 75 ALA H . 36330 1 966 . 1 . 1 75 75 ALA HA H 1 4.936 0.030 . 1 . . . . A 75 ALA HA . 36330 1 967 . 1 . 1 75 75 ALA HB1 H 1 1.280 0.030 . 1 . . . . A 75 ALA HB1 . 36330 1 968 . 1 . 1 75 75 ALA HB2 H 1 1.280 0.030 . 1 . . . . A 75 ALA HB2 . 36330 1 969 . 1 . 1 75 75 ALA HB3 H 1 1.280 0.030 . 1 . . . . A 75 ALA HB3 . 36330 1 970 . 1 . 1 75 75 ALA C C 13 176.192 0.300 . 1 . . . . A 75 ALA C . 36330 1 971 . 1 . 1 75 75 ALA CA C 13 50.029 0.300 . 1 . . . . A 75 ALA CA . 36330 1 972 . 1 . 1 75 75 ALA CB C 13 21.627 0.300 . 1 . . . . A 75 ALA CB . 36330 1 973 . 1 . 1 75 75 ALA N N 15 129.484 0.300 . 1 . . . . A 75 ALA N . 36330 1 974 . 1 . 1 76 76 LYS H H 1 9.638 0.030 . 1 . . . . A 76 LYS H . 36330 1 975 . 1 . 1 76 76 LYS HA H 1 4.608 0.030 . 1 . . . . A 76 LYS HA . 36330 1 976 . 1 . 1 76 76 LYS HB2 H 1 2.044 0.030 . 1 . . . . A 76 LYS HB2 . 36330 1 977 . 1 . 1 76 76 LYS HB3 H 1 2.044 0.030 . 1 . . . . A 76 LYS HB3 . 36330 1 978 . 1 . 1 76 76 LYS HG2 H 1 1.372 0.030 . 2 . . . . A 76 LYS HG2 . 36330 1 979 . 1 . 1 76 76 LYS HG3 H 1 1.536 0.030 . 2 . . . . A 76 LYS HG3 . 36330 1 980 . 1 . 1 76 76 LYS HD2 H 1 1.775 0.030 . 1 . . . . A 76 LYS HD2 . 36330 1 981 . 1 . 1 76 76 LYS HD3 H 1 1.775 0.030 . 1 . . . . A 76 LYS HD3 . 36330 1 982 . 1 . 1 76 76 LYS HE2 H 1 3.024 0.030 . 1 . . . . A 76 LYS HE2 . 36330 1 983 . 1 . 1 76 76 LYS HE3 H 1 3.024 0.030 . 1 . . . . A 76 LYS HE3 . 36330 1 984 . 1 . 1 76 76 LYS C C 13 176.466 0.300 . 1 . . . . A 76 LYS C . 36330 1 985 . 1 . 1 76 76 LYS CA C 13 57.859 0.300 . 1 . . . . A 76 LYS CA . 36330 1 986 . 1 . 1 76 76 LYS CB C 13 34.093 0.300 . 1 . . . . A 76 LYS CB . 36330 1 987 . 1 . 1 76 76 LYS CG C 13 25.625 0.300 . 1 . . . . A 76 LYS CG . 36330 1 988 . 1 . 1 76 76 LYS CD C 13 29.601 0.300 . 1 . . . . A 76 LYS CD . 36330 1 989 . 1 . 1 76 76 LYS CE C 13 42.152 0.300 . 1 . . . . A 76 LYS CE . 36330 1 990 . 1 . 1 76 76 LYS N N 15 121.581 0.300 . 1 . . . . A 76 LYS N . 36330 1 991 . 1 . 1 77 77 THR H H 1 7.892 0.030 . 1 . . . . A 77 THR H . 36330 1 992 . 1 . 1 77 77 THR HA H 1 4.777 0.030 . 1 . . . . A 77 THR HA . 36330 1 993 . 1 . 1 77 77 THR HB H 1 4.626 0.030 . 1 . . . . A 77 THR HB . 36330 1 994 . 1 . 1 77 77 THR HG1 H 1 2.708 0.030 . 1 . . . . A 77 THR HG1 . 36330 1 995 . 1 . 1 77 77 THR HG21 H 1 1.284 0.030 . 1 . . . . A 77 THR HG21 . 36330 1 996 . 1 . 1 77 77 THR HG22 H 1 1.284 0.030 . 1 . . . . A 77 THR HG22 . 36330 1 997 . 1 . 1 77 77 THR HG23 H 1 1.284 0.030 . 1 . . . . A 77 THR HG23 . 36330 1 998 . 1 . 1 77 77 THR C C 13 175.115 0.300 . 1 . . . . A 77 THR C . 36330 1 999 . 1 . 1 77 77 THR CA C 13 59.461 0.300 . 1 . . . . A 77 THR CA . 36330 1 1000 . 1 . 1 77 77 THR CB C 13 73.410 0.300 . 1 . . . . A 77 THR CB . 36330 1 1001 . 1 . 1 77 77 THR CG2 C 13 21.691 0.300 . 1 . . . . A 77 THR CG2 . 36330 1 1002 . 1 . 1 77 77 THR N N 15 107.514 0.300 . 1 . . . . A 77 THR N . 36330 1 1003 . 1 . 1 78 78 GLU H H 1 9.184 0.030 . 1 . . . . A 78 GLU H . 36330 1 1004 . 1 . 1 78 78 GLU HA H 1 4.101 0.030 . 1 . . . . A 78 GLU HA . 36330 1 1005 . 1 . 1 78 78 GLU HB2 H 1 2.134 0.030 . 1 . . . . A 78 GLU HB2 . 36330 1 1006 . 1 . 1 78 78 GLU HB3 H 1 2.134 0.030 . 1 . . . . A 78 GLU HB3 . 36330 1 1007 . 1 . 1 78 78 GLU C C 13 179.259 0.300 . 1 . . . . A 78 GLU C . 36330 1 1008 . 1 . 1 78 78 GLU CA C 13 59.870 0.300 . 1 . . . . A 78 GLU CA . 36330 1 1009 . 1 . 1 78 78 GLU CB C 13 29.500 0.300 . 1 . . . . A 78 GLU CB . 36330 1 1010 . 1 . 1 78 78 GLU N N 15 121.827 0.300 . 1 . . . . A 78 GLU N . 36330 1 1011 . 1 . 1 79 79 ASP H H 1 8.459 0.030 . 1 . . . . A 79 ASP H . 36330 1 1012 . 1 . 1 79 79 ASP HB2 H 1 2.658 0.030 . 1 . . . . A 79 ASP HB2 . 36330 1 1013 . 1 . 1 79 79 ASP HB3 H 1 2.658 0.030 . 1 . . . . A 79 ASP HB3 . 36330 1 1014 . 1 . 1 79 79 ASP C C 13 178.603 0.300 . 1 . . . . A 79 ASP C . 36330 1 1015 . 1 . 1 79 79 ASP CA C 13 57.380 0.300 . 1 . . . . A 79 ASP CA . 36330 1 1016 . 1 . 1 79 79 ASP CB C 13 41.123 0.300 . 1 . . . . A 79 ASP CB . 36330 1 1017 . 1 . 1 79 79 ASP N N 15 119.868 0.300 . 1 . . . . A 79 ASP N . 36330 1 1018 . 1 . 1 80 80 ASP H H 1 7.947 0.030 . 1 . . . . A 80 ASP H . 36330 1 1019 . 1 . 1 80 80 ASP HA H 1 4.483 0.030 . 1 . . . . A 80 ASP HA . 36330 1 1020 . 1 . 1 80 80 ASP C C 13 177.932 0.300 . 1 . . . . A 80 ASP C . 36330 1 1021 . 1 . 1 80 80 ASP CA C 13 57.222 0.300 . 1 . . . . A 80 ASP CA . 36330 1 1022 . 1 . 1 80 80 ASP CB C 13 41.469 0.300 . 1 . . . . A 80 ASP CB . 36330 1 1023 . 1 . 1 80 80 ASP N N 15 119.745 0.300 . 1 . . . . A 80 ASP N . 36330 1 1024 . 1 . 1 81 81 GLU H H 1 8.048 0.030 . 1 . . . . A 81 GLU H . 36330 1 1025 . 1 . 1 81 81 GLU HA H 1 3.615 0.030 . 1 . . . . A 81 GLU HA . 36330 1 1026 . 1 . 1 81 81 GLU HB2 H 1 2.020 0.030 . 2 . . . . A 81 GLU HB2 . 36330 1 1027 . 1 . 1 81 81 GLU HB3 H 1 2.249 0.030 . 2 . . . . A 81 GLU HB3 . 36330 1 1028 . 1 . 1 81 81 GLU HG2 H 1 2.254 0.030 . 1 . . . . A 81 GLU HG2 . 36330 1 1029 . 1 . 1 81 81 GLU HG3 H 1 2.254 0.030 . 1 . . . . A 81 GLU HG3 . 36330 1 1030 . 1 . 1 81 81 GLU C C 13 177.814 0.300 . 1 . . . . A 81 GLU C . 36330 1 1031 . 1 . 1 81 81 GLU CA C 13 60.265 0.300 . 1 . . . . A 81 GLU CA . 36330 1 1032 . 1 . 1 81 81 GLU CB C 13 29.375 0.300 . 1 . . . . A 81 GLU CB . 36330 1 1033 . 1 . 1 81 81 GLU CG C 13 37.268 0.300 . 1 . . . . A 81 GLU CG . 36330 1 1034 . 1 . 1 81 81 GLU N N 15 121.317 0.300 . 1 . . . . A 81 GLU N . 36330 1 1035 . 1 . 1 82 82 ARG H H 1 7.823 0.030 . 1 . . . . A 82 ARG H . 36330 1 1036 . 1 . 1 82 82 ARG HA H 1 3.953 0.030 . 1 . . . . A 82 ARG HA . 36330 1 1037 . 1 . 1 82 82 ARG HB2 H 1 2.011 0.030 . 2 . . . . A 82 ARG HB2 . 36330 1 1038 . 1 . 1 82 82 ARG HB3 H 1 2.134 0.030 . 2 . . . . A 82 ARG HB3 . 36330 1 1039 . 1 . 1 82 82 ARG HG2 H 1 1.602 0.030 . 2 . . . . A 82 ARG HG2 . 36330 1 1040 . 1 . 1 82 82 ARG HG3 H 1 1.813 0.030 . 2 . . . . A 82 ARG HG3 . 36330 1 1041 . 1 . 1 82 82 ARG HD2 H 1 3.289 0.030 . 1 . . . . A 82 ARG HD2 . 36330 1 1042 . 1 . 1 82 82 ARG HD3 H 1 3.289 0.030 . 1 . . . . A 82 ARG HD3 . 36330 1 1043 . 1 . 1 82 82 ARG HE H 1 7.441 0.030 . 1 . . . . A 82 ARG HE . 36330 1 1044 . 1 . 1 82 82 ARG C C 13 179.075 0.300 . 1 . . . . A 82 ARG C . 36330 1 1045 . 1 . 1 82 82 ARG CA C 13 60.071 0.300 . 1 . . . . A 82 ARG CA . 36330 1 1046 . 1 . 1 82 82 ARG CB C 13 29.376 0.300 . 1 . . . . A 82 ARG CB . 36330 1 1047 . 1 . 1 82 82 ARG CG C 13 27.438 0.300 . 1 . . . . A 82 ARG CG . 36330 1 1048 . 1 . 1 82 82 ARG CD C 13 43.257 0.300 . 1 . . . . A 82 ARG CD . 36330 1 1049 . 1 . 1 82 82 ARG N N 15 119.985 0.300 . 1 . . . . A 82 ARG N . 36330 1 1050 . 1 . 1 82 82 ARG NE N 15 83.736 0.300 . 1 . . . . A 82 ARG NE . 36330 1 1051 . 1 . 1 83 83 ARG H H 1 7.762 0.030 . 1 . . . . A 83 ARG H . 36330 1 1052 . 1 . 1 83 83 ARG HA H 1 4.067 0.030 . 1 . . . . A 83 ARG HA . 36330 1 1053 . 1 . 1 83 83 ARG HB2 H 1 2.001 0.030 . 1 . . . . A 83 ARG HB2 . 36330 1 1054 . 1 . 1 83 83 ARG HB3 H 1 2.001 0.030 . 1 . . . . A 83 ARG HB3 . 36330 1 1055 . 1 . 1 83 83 ARG HG2 H 1 1.624 0.030 . 1 . . . . A 83 ARG HG2 . 36330 1 1056 . 1 . 1 83 83 ARG HG3 H 1 1.624 0.030 . 1 . . . . A 83 ARG HG3 . 36330 1 1057 . 1 . 1 83 83 ARG HD2 H 1 3.191 0.030 . 2 . . . . A 83 ARG HD2 . 36330 1 1058 . 1 . 1 83 83 ARG HD3 H 1 3.326 0.030 . 2 . . . . A 83 ARG HD3 . 36330 1 1059 . 1 . 1 83 83 ARG HE H 1 7.677 0.030 . 1 . . . . A 83 ARG HE . 36330 1 1060 . 1 . 1 83 83 ARG C C 13 178.709 0.300 . 1 . . . . A 83 ARG C . 36330 1 1061 . 1 . 1 83 83 ARG CA C 13 59.135 0.300 . 1 . . . . A 83 ARG CA . 36330 1 1062 . 1 . 1 83 83 ARG CB C 13 30.431 0.300 . 1 . . . . A 83 ARG CB . 36330 1 1063 . 1 . 1 83 83 ARG CG C 13 27.072 0.300 . 1 . . . . A 83 ARG CG . 36330 1 1064 . 1 . 1 83 83 ARG CD C 13 44.031 0.300 . 1 . . . . A 83 ARG CD . 36330 1 1065 . 1 . 1 83 83 ARG N N 15 119.942 0.300 . 1 . . . . A 83 ARG N . 36330 1 1066 . 1 . 1 83 83 ARG NE N 15 85.066 0.300 . 1 . . . . A 83 ARG NE . 36330 1 1067 . 1 . 1 84 84 ALA H H 1 8.263 0.030 . 1 . . . . A 84 ALA H . 36330 1 1068 . 1 . 1 84 84 ALA HA H 1 3.485 0.030 . 1 . . . . A 84 ALA HA . 36330 1 1069 . 1 . 1 84 84 ALA HB1 H 1 1.014 0.030 . 1 . . . . A 84 ALA HB1 . 36330 1 1070 . 1 . 1 84 84 ALA HB2 H 1 1.014 0.030 . 1 . . . . A 84 ALA HB2 . 36330 1 1071 . 1 . 1 84 84 ALA HB3 H 1 1.014 0.030 . 1 . . . . A 84 ALA HB3 . 36330 1 1072 . 1 . 1 84 84 ALA C C 13 178.782 0.300 . 1 . . . . A 84 ALA C . 36330 1 1073 . 1 . 1 84 84 ALA CA C 13 55.273 0.300 . 1 . . . . A 84 ALA CA . 36330 1 1074 . 1 . 1 84 84 ALA CB C 13 18.103 0.300 . 1 . . . . A 84 ALA CB . 36330 1 1075 . 1 . 1 84 84 ALA N N 15 121.546 0.300 . 1 . . . . A 84 ALA N . 36330 1 1076 . 1 . 1 85 85 ARG H H 1 8.238 0.030 . 1 . . . . A 85 ARG H . 36330 1 1077 . 1 . 1 85 85 ARG HA H 1 3.824 0.030 . 1 . . . . A 85 ARG HA . 36330 1 1078 . 1 . 1 85 85 ARG HB2 H 1 1.560 0.030 . 2 . . . . A 85 ARG HB2 . 36330 1 1079 . 1 . 1 85 85 ARG HB3 H 1 1.935 0.030 . 2 . . . . A 85 ARG HB3 . 36330 1 1080 . 1 . 1 85 85 ARG HG2 H 1 1.558 0.030 . 1 . . . . A 85 ARG HG2 . 36330 1 1081 . 1 . 1 85 85 ARG HG3 H 1 1.558 0.030 . 1 . . . . A 85 ARG HG3 . 36330 1 1082 . 1 . 1 85 85 ARG HD2 H 1 3.189 0.030 . 1 . . . . A 85 ARG HD2 . 36330 1 1083 . 1 . 1 85 85 ARG HD3 H 1 3.189 0.030 . 1 . . . . A 85 ARG HD3 . 36330 1 1084 . 1 . 1 85 85 ARG HE H 1 8.511 0.030 . 1 . . . . A 85 ARG HE . 36330 1 1085 . 1 . 1 85 85 ARG C C 13 179.068 0.300 . 1 . . . . A 85 ARG C . 36330 1 1086 . 1 . 1 85 85 ARG CA C 13 60.357 0.300 . 1 . . . . A 85 ARG CA . 36330 1 1087 . 1 . 1 85 85 ARG CB C 13 29.039 0.300 . 1 . . . . A 85 ARG CB . 36330 1 1088 . 1 . 1 85 85 ARG CG C 13 29.004 0.300 . 1 . . . . A 85 ARG CG . 36330 1 1089 . 1 . 1 85 85 ARG CD C 13 43.620 0.300 . 1 . . . . A 85 ARG CD . 36330 1 1090 . 1 . 1 85 85 ARG N N 15 117.815 0.300 . 1 . . . . A 85 ARG N . 36330 1 1091 . 1 . 1 86 86 GLU H H 1 7.825 0.030 . 1 . . . . A 86 GLU H . 36330 1 1092 . 1 . 1 86 86 GLU HA H 1 4.130 0.030 . 1 . . . . A 86 GLU HA . 36330 1 1093 . 1 . 1 86 86 GLU HB2 H 1 2.143 0.030 . 1 . . . . A 86 GLU HB2 . 36330 1 1094 . 1 . 1 86 86 GLU HB3 H 1 2.143 0.030 . 1 . . . . A 86 GLU HB3 . 36330 1 1095 . 1 . 1 86 86 GLU HG2 H 1 2.274 0.030 . 2 . . . . A 86 GLU HG2 . 36330 1 1096 . 1 . 1 86 86 GLU HG3 H 1 2.487 0.030 . 2 . . . . A 86 GLU HG3 . 36330 1 1097 . 1 . 1 86 86 GLU C C 13 179.359 0.300 . 1 . . . . A 86 GLU C . 36330 1 1098 . 1 . 1 86 86 GLU CA C 13 59.402 0.300 . 1 . . . . A 86 GLU CA . 36330 1 1099 . 1 . 1 86 86 GLU CB C 13 29.461 0.300 . 1 . . . . A 86 GLU CB . 36330 1 1100 . 1 . 1 86 86 GLU CG C 13 36.449 0.300 . 1 . . . . A 86 GLU CG . 36330 1 1101 . 1 . 1 86 86 GLU N N 15 120.005 0.300 . 1 . . . . A 86 GLU N . 36330 1 1102 . 1 . 1 87 87 LEU H H 1 8.034 0.030 . 1 . . . . A 87 LEU H . 36330 1 1103 . 1 . 1 87 87 LEU HA H 1 4.070 0.030 . 1 . . . . A 87 LEU HA . 36330 1 1104 . 1 . 1 87 87 LEU HB2 H 1 1.563 0.030 . 2 . . . . A 87 LEU HB2 . 36330 1 1105 . 1 . 1 87 87 LEU HB3 H 1 1.857 0.030 . 2 . . . . A 87 LEU HB3 . 36330 1 1106 . 1 . 1 87 87 LEU HG H 1 1.814 0.030 . 1 . . . . A 87 LEU HG . 36330 1 1107 . 1 . 1 87 87 LEU HD11 H 1 0.838 0.030 . 2 . . . . A 87 LEU HD11 . 36330 1 1108 . 1 . 1 87 87 LEU HD12 H 1 0.838 0.030 . 2 . . . . A 87 LEU HD12 . 36330 1 1109 . 1 . 1 87 87 LEU HD13 H 1 0.838 0.030 . 2 . . . . A 87 LEU HD13 . 36330 1 1110 . 1 . 1 87 87 LEU HD21 H 1 0.841 0.030 . 2 . . . . A 87 LEU HD21 . 36330 1 1111 . 1 . 1 87 87 LEU HD22 H 1 0.841 0.030 . 2 . . . . A 87 LEU HD22 . 36330 1 1112 . 1 . 1 87 87 LEU HD23 H 1 0.841 0.030 . 2 . . . . A 87 LEU HD23 . 36330 1 1113 . 1 . 1 87 87 LEU C C 13 178.922 0.300 . 1 . . . . A 87 LEU C . 36330 1 1114 . 1 . 1 87 87 LEU CA C 13 58.196 0.300 . 1 . . . . A 87 LEU CA . 36330 1 1115 . 1 . 1 87 87 LEU CB C 13 41.999 0.300 . 1 . . . . A 87 LEU CB . 36330 1 1116 . 1 . 1 87 87 LEU CG C 13 27.109 0.300 . 1 . . . . A 87 LEU CG . 36330 1 1117 . 1 . 1 87 87 LEU CD1 C 13 25.171 0.300 . 2 . . . . A 87 LEU CD1 . 36330 1 1118 . 1 . 1 87 87 LEU CD2 C 13 24.042 0.300 . 2 . . . . A 87 LEU CD2 . 36330 1 1119 . 1 . 1 87 87 LEU N N 15 120.171 0.300 . 1 . . . . A 87 LEU N . 36330 1 1120 . 1 . 1 88 88 LYS H H 1 8.513 0.030 . 1 . . . . A 88 LYS H . 36330 1 1121 . 1 . 1 88 88 LYS HA H 1 3.898 0.030 . 1 . . . . A 88 LYS HA . 36330 1 1122 . 1 . 1 88 88 LYS HB2 H 1 1.797 0.030 . 2 . . . . A 88 LYS HB2 . 36330 1 1123 . 1 . 1 88 88 LYS HB3 H 1 2.134 0.030 . 2 . . . . A 88 LYS HB3 . 36330 1 1124 . 1 . 1 88 88 LYS HG2 H 1 1.463 0.030 . 2 . . . . A 88 LYS HG2 . 36330 1 1125 . 1 . 1 88 88 LYS HG3 H 1 1.548 0.030 . 2 . . . . A 88 LYS HG3 . 36330 1 1126 . 1 . 1 88 88 LYS HD2 H 1 1.673 0.030 . 1 . . . . A 88 LYS HD2 . 36330 1 1127 . 1 . 1 88 88 LYS HD3 H 1 1.673 0.030 . 1 . . . . A 88 LYS HD3 . 36330 1 1128 . 1 . 1 88 88 LYS HE2 H 1 3.115 0.030 . 1 . . . . A 88 LYS HE2 . 36330 1 1129 . 1 . 1 88 88 LYS HE3 H 1 3.115 0.030 . 1 . . . . A 88 LYS HE3 . 36330 1 1130 . 1 . 1 88 88 LYS C C 13 178.844 0.300 . 1 . . . . A 88 LYS C . 36330 1 1131 . 1 . 1 88 88 LYS CA C 13 60.024 0.300 . 1 . . . . A 88 LYS CA . 36330 1 1132 . 1 . 1 88 88 LYS CB C 13 32.536 0.300 . 1 . . . . A 88 LYS CB . 36330 1 1133 . 1 . 1 88 88 LYS CG C 13 24.713 0.300 . 1 . . . . A 88 LYS CG . 36330 1 1134 . 1 . 1 88 88 LYS CD C 13 30.138 0.300 . 1 . . . . A 88 LYS CD . 36330 1 1135 . 1 . 1 88 88 LYS CE C 13 42.333 0.300 . 1 . . . . A 88 LYS CE . 36330 1 1136 . 1 . 1 88 88 LYS N N 15 119.576 0.300 . 1 . . . . A 88 LYS N . 36330 1 1137 . 1 . 1 89 89 GLU H H 1 7.772 0.030 . 1 . . . . A 89 GLU H . 36330 1 1138 . 1 . 1 89 89 GLU HA H 1 4.151 0.030 . 1 . . . . A 89 GLU HA . 36330 1 1139 . 1 . 1 89 89 GLU HB2 H 1 2.192 0.030 . 1 . . . . A 89 GLU HB2 . 36330 1 1140 . 1 . 1 89 89 GLU HB3 H 1 2.192 0.030 . 1 . . . . A 89 GLU HB3 . 36330 1 1141 . 1 . 1 89 89 GLU HG2 H 1 2.448 0.030 . 2 . . . . A 89 GLU HG2 . 36330 1 1142 . 1 . 1 89 89 GLU HG3 H 1 2.468 0.030 . 2 . . . . A 89 GLU HG3 . 36330 1 1143 . 1 . 1 89 89 GLU C C 13 178.479 0.300 . 1 . . . . A 89 GLU C . 36330 1 1144 . 1 . 1 89 89 GLU CA C 13 58.529 0.300 . 1 . . . . A 89 GLU CA . 36330 1 1145 . 1 . 1 89 89 GLU CB C 13 29.468 0.300 . 1 . . . . A 89 GLU CB . 36330 1 1146 . 1 . 1 89 89 GLU CG C 13 36.145 0.300 . 1 . . . . A 89 GLU CG . 36330 1 1147 . 1 . 1 89 89 GLU N N 15 118.148 0.300 . 1 . . . . A 89 GLU N . 36330 1 1148 . 1 . 1 90 90 ARG H H 1 7.710 0.030 . 1 . . . . A 90 ARG H . 36330 1 1149 . 1 . 1 90 90 ARG HA H 1 4.336 0.030 . 1 . . . . A 90 ARG HA . 36330 1 1150 . 1 . 1 90 90 ARG HB2 H 1 1.848 0.030 . 2 . . . . A 90 ARG HB2 . 36330 1 1151 . 1 . 1 90 90 ARG HB3 H 1 2.069 0.030 . 2 . . . . A 90 ARG HB3 . 36330 1 1152 . 1 . 1 90 90 ARG HG2 H 1 1.731 0.030 . 2 . . . . A 90 ARG HG2 . 36330 1 1153 . 1 . 1 90 90 ARG HG3 H 1 1.923 0.030 . 2 . . . . A 90 ARG HG3 . 36330 1 1154 . 1 . 1 90 90 ARG HD2 H 1 3.183 0.030 . 2 . . . . A 90 ARG HD2 . 36330 1 1155 . 1 . 1 90 90 ARG HD3 H 1 3.234 0.030 . 2 . . . . A 90 ARG HD3 . 36330 1 1156 . 1 . 1 90 90 ARG HE H 1 8.027 0.030 . 1 . . . . A 90 ARG HE . 36330 1 1157 . 1 . 1 90 90 ARG C C 13 177.794 0.300 . 1 . . . . A 90 ARG C . 36330 1 1158 . 1 . 1 90 90 ARG CA C 13 57.399 0.300 . 1 . . . . A 90 ARG CA . 36330 1 1159 . 1 . 1 90 90 ARG CB C 13 31.616 0.300 . 1 . . . . A 90 ARG CB . 36330 1 1160 . 1 . 1 90 90 ARG CG C 13 27.488 0.300 . 1 . . . . A 90 ARG CG . 36330 1 1161 . 1 . 1 90 90 ARG CD C 13 43.788 0.300 . 1 . . . . A 90 ARG CD . 36330 1 1162 . 1 . 1 90 90 ARG N N 15 116.553 0.300 . 1 . . . . A 90 ARG N . 36330 1 1163 . 1 . 1 90 90 ARG NE N 15 84.180 0.300 . 1 . . . . A 90 ARG NE . 36330 1 1164 . 1 . 1 91 91 MET H H 1 8.106 0.030 . 1 . . . . A 91 MET H . 36330 1 1165 . 1 . 1 91 91 MET HA H 1 4.392 0.030 . 1 . . . . A 91 MET HA . 36330 1 1166 . 1 . 1 91 91 MET HB2 H 1 2.522 0.030 . 2 . . . . A 91 MET HB2 . 36330 1 1167 . 1 . 1 91 91 MET HB3 H 1 2.618 0.030 . 2 . . . . A 91 MET HB3 . 36330 1 1168 . 1 . 1 91 91 MET HG2 H 1 2.086 0.030 . 1 . . . . A 91 MET HG2 . 36330 1 1169 . 1 . 1 91 91 MET HG3 H 1 2.086 0.030 . 1 . . . . A 91 MET HG3 . 36330 1 1170 . 1 . 1 91 91 MET HE1 H 1 1.939 0.030 . 1 . . . . A 91 MET HE1 . 36330 1 1171 . 1 . 1 91 91 MET HE2 H 1 1.939 0.030 . 1 . . . . A 91 MET HE2 . 36330 1 1172 . 1 . 1 91 91 MET HE3 H 1 1.939 0.030 . 1 . . . . A 91 MET HE3 . 36330 1 1173 . 1 . 1 91 91 MET C C 13 177.172 0.300 . 1 . . . . A 91 MET C . 36330 1 1174 . 1 . 1 91 91 MET CA C 13 56.703 0.300 . 1 . . . . A 91 MET CA . 36330 1 1175 . 1 . 1 91 91 MET CB C 13 32.821 0.300 . 1 . . . . A 91 MET CB . 36330 1 1176 . 1 . 1 91 91 MET CG C 13 33.023 0.300 . 1 . . . . A 91 MET CG . 36330 1 1177 . 1 . 1 91 91 MET CE C 13 17.425 0.300 . 1 . . . . A 91 MET CE . 36330 1 1178 . 1 . 1 91 91 MET N N 15 117.803 0.300 . 1 . . . . A 91 MET N . 36330 1 1179 . 1 . 1 92 92 GLY H H 1 8.157 0.030 . 1 . . . . A 92 GLY H . 36330 1 1180 . 1 . 1 92 92 GLY HA2 H 1 3.892 0.030 . 2 . . . . A 92 GLY HA2 . 36330 1 1181 . 1 . 1 92 92 GLY HA3 H 1 3.987 0.030 . 2 . . . . A 92 GLY HA3 . 36330 1 1182 . 1 . 1 92 92 GLY C C 13 173.661 0.300 . 1 . . . . A 92 GLY C . 36330 1 1183 . 1 . 1 92 92 GLY CA C 13 46.273 0.300 . 1 . . . . A 92 GLY CA . 36330 1 1184 . 1 . 1 92 92 GLY N N 15 105.744 0.300 . 1 . . . . A 92 GLY N . 36330 1 1185 . 1 . 1 93 93 LYS H H 1 7.079 0.030 . 1 . . . . A 93 LYS H . 36330 1 1186 . 1 . 1 93 93 LYS HA H 1 4.836 0.030 . 1 . . . . A 93 LYS HA . 36330 1 1187 . 1 . 1 93 93 LYS HB2 H 1 1.338 0.030 . 2 . . . . A 93 LYS HB2 . 36330 1 1188 . 1 . 1 93 93 LYS HB3 H 1 1.921 0.030 . 2 . . . . A 93 LYS HB3 . 36330 1 1189 . 1 . 1 93 93 LYS HG2 H 1 1.415 0.030 . 2 . . . . A 93 LYS HG2 . 36330 1 1190 . 1 . 1 93 93 LYS HG3 H 1 1.477 0.030 . 2 . . . . A 93 LYS HG3 . 36330 1 1191 . 1 . 1 93 93 LYS HD2 H 1 1.813 0.030 . 2 . . . . A 93 LYS HD2 . 36330 1 1192 . 1 . 1 93 93 LYS HD3 H 1 1.752 0.030 . 2 . . . . A 93 LYS HD3 . 36330 1 1193 . 1 . 1 93 93 LYS HE2 H 1 3.025 0.030 . 2 . . . . A 93 LYS HE2 . 36330 1 1194 . 1 . 1 93 93 LYS HE3 H 1 3.040 0.030 . 2 . . . . A 93 LYS HE3 . 36330 1 1195 . 1 . 1 93 93 LYS CA C 13 52.738 0.300 . 1 . . . . A 93 LYS CA . 36330 1 1196 . 1 . 1 93 93 LYS CB C 13 35.351 0.300 . 1 . . . . A 93 LYS CB . 36330 1 1197 . 1 . 1 93 93 LYS CG C 13 24.426 0.300 . 1 . . . . A 93 LYS CG . 36330 1 1198 . 1 . 1 93 93 LYS CD C 13 28.798 0.300 . 1 . . . . A 93 LYS CD . 36330 1 1199 . 1 . 1 93 93 LYS CE C 13 42.135 0.300 . 1 . . . . A 93 LYS CE . 36330 1 1200 . 1 . 1 93 93 LYS N N 15 117.271 0.300 . 1 . . . . A 93 LYS N . 36330 1 1201 . 1 . 1 94 94 PRO HA H 1 4.549 0.030 . 1 . . . . A 94 PRO HA . 36330 1 1202 . 1 . 1 94 94 PRO HB2 H 1 2.119 0.030 . 2 . . . . A 94 PRO HB2 . 36330 1 1203 . 1 . 1 94 94 PRO HB3 H 1 2.431 0.030 . 2 . . . . A 94 PRO HB3 . 36330 1 1204 . 1 . 1 94 94 PRO HG2 H 1 2.026 0.030 . 1 . . . . A 94 PRO HG2 . 36330 1 1205 . 1 . 1 94 94 PRO HG3 H 1 2.026 0.030 . 1 . . . . A 94 PRO HG3 . 36330 1 1206 . 1 . 1 94 94 PRO HD2 H 1 3.704 0.030 . 2 . . . . A 94 PRO HD2 . 36330 1 1207 . 1 . 1 94 94 PRO HD3 H 1 3.843 0.030 . 2 . . . . A 94 PRO HD3 . 36330 1 1208 . 1 . 1 94 94 PRO C C 13 176.119 0.300 . 1 . . . . A 94 PRO C . 36330 1 1209 . 1 . 1 94 94 PRO CA C 13 63.759 0.300 . 1 . . . . A 94 PRO CA . 36330 1 1210 . 1 . 1 94 94 PRO CB C 13 32.292 0.300 . 1 . . . . A 94 PRO CB . 36330 1 1211 . 1 . 1 94 94 PRO CG C 13 28.129 0.300 . 1 . . . . A 94 PRO CG . 36330 1 1212 . 1 . 1 94 94 PRO CD C 13 50.742 0.300 . 1 . . . . A 94 PRO CD . 36330 1 1213 . 1 . 1 95 95 VAL H H 1 7.902 0.030 . 1 . . . . A 95 VAL H . 36330 1 1214 . 1 . 1 95 95 VAL HA H 1 4.544 0.030 . 1 . . . . A 95 VAL HA . 36330 1 1215 . 1 . 1 95 95 VAL HB H 1 1.671 0.030 . 1 . . . . A 95 VAL HB . 36330 1 1216 . 1 . 1 95 95 VAL HG11 H 1 0.458 0.030 . 2 . . . . A 95 VAL HG11 . 36330 1 1217 . 1 . 1 95 95 VAL HG12 H 1 0.458 0.030 . 2 . . . . A 95 VAL HG12 . 36330 1 1218 . 1 . 1 95 95 VAL HG13 H 1 0.458 0.030 . 2 . . . . A 95 VAL HG13 . 36330 1 1219 . 1 . 1 95 95 VAL HG21 H 1 0.823 0.030 . 2 . . . . A 95 VAL HG21 . 36330 1 1220 . 1 . 1 95 95 VAL HG22 H 1 0.823 0.030 . 2 . . . . A 95 VAL HG22 . 36330 1 1221 . 1 . 1 95 95 VAL HG23 H 1 0.823 0.030 . 2 . . . . A 95 VAL HG23 . 36330 1 1222 . 1 . 1 95 95 VAL C C 13 173.602 0.300 . 1 . . . . A 95 VAL C . 36330 1 1223 . 1 . 1 95 95 VAL CA C 13 60.028 0.300 . 1 . . . . A 95 VAL CA . 36330 1 1224 . 1 . 1 95 95 VAL CB C 13 36.369 0.300 . 1 . . . . A 95 VAL CB . 36330 1 1225 . 1 . 1 95 95 VAL CG1 C 13 21.269 0.300 . 2 . . . . A 95 VAL CG1 . 36330 1 1226 . 1 . 1 95 95 VAL CG2 C 13 21.455 0.300 . 2 . . . . A 95 VAL CG2 . 36330 1 1227 . 1 . 1 95 95 VAL N N 15 122.709 0.300 . 1 . . . . A 95 VAL N . 36330 1 1228 . 1 . 1 96 96 GLU H H 1 8.022 0.030 . 1 . . . . A 96 GLU H . 36330 1 1229 . 1 . 1 96 96 GLU HA H 1 4.237 0.030 . 1 . . . . A 96 GLU HA . 36330 1 1230 . 1 . 1 96 96 GLU HB2 H 1 0.472 0.030 . 2 . . . . A 96 GLU HB2 . 36330 1 1231 . 1 . 1 96 96 GLU HB3 H 1 1.609 0.030 . 2 . . . . A 96 GLU HB3 . 36330 1 1232 . 1 . 1 96 96 GLU HG2 H 1 1.930 0.030 . 2 . . . . A 96 GLU HG2 . 36330 1 1233 . 1 . 1 96 96 GLU HG3 H 1 1.766 0.030 . 2 . . . . A 96 GLU HG3 . 36330 1 1234 . 1 . 1 96 96 GLU C C 13 174.804 0.300 . 1 . . . . A 96 GLU C . 36330 1 1235 . 1 . 1 96 96 GLU CA C 13 54.720 0.300 . 1 . . . . A 96 GLU CA . 36330 1 1236 . 1 . 1 96 96 GLU CB C 13 30.155 0.300 . 1 . . . . A 96 GLU CB . 36330 1 1237 . 1 . 1 96 96 GLU CG C 13 36.121 0.300 . 1 . . . . A 96 GLU CG . 36330 1 1238 . 1 . 1 96 96 GLU N N 15 128.171 0.300 . 1 . . . . A 96 GLU N . 36330 1 1239 . 1 . 1 97 97 ILE H H 1 8.537 0.030 . 1 . . . . A 97 ILE H . 36330 1 1240 . 1 . 1 97 97 ILE HA H 1 4.239 0.030 . 1 . . . . A 97 ILE HA . 36330 1 1241 . 1 . 1 97 97 ILE HB H 1 1.791 0.030 . 1 . . . . A 97 ILE HB . 36330 1 1242 . 1 . 1 97 97 ILE HG12 H 1 0.743 0.030 . 2 . . . . A 97 ILE HG12 . 36330 1 1243 . 1 . 1 97 97 ILE HG13 H 1 1.593 0.030 . 2 . . . . A 97 ILE HG13 . 36330 1 1244 . 1 . 1 97 97 ILE HG21 H 1 0.781 0.030 . 1 . . . . A 97 ILE HG21 . 36330 1 1245 . 1 . 1 97 97 ILE HG22 H 1 0.781 0.030 . 1 . . . . A 97 ILE HG22 . 36330 1 1246 . 1 . 1 97 97 ILE HG23 H 1 0.781 0.030 . 1 . . . . A 97 ILE HG23 . 36330 1 1247 . 1 . 1 97 97 ILE HD11 H 1 0.774 0.030 . 1 . . . . A 97 ILE HD11 . 36330 1 1248 . 1 . 1 97 97 ILE HD12 H 1 0.774 0.030 . 1 . . . . A 97 ILE HD12 . 36330 1 1249 . 1 . 1 97 97 ILE HD13 H 1 0.774 0.030 . 1 . . . . A 97 ILE HD13 . 36330 1 1250 . 1 . 1 97 97 ILE C C 13 175.171 0.300 . 1 . . . . A 97 ILE C . 36330 1 1251 . 1 . 1 97 97 ILE CA C 13 61.046 0.300 . 1 . . . . A 97 ILE CA . 36330 1 1252 . 1 . 1 97 97 ILE CB C 13 38.446 0.300 . 1 . . . . A 97 ILE CB . 36330 1 1253 . 1 . 1 97 97 ILE CG1 C 13 28.088 0.300 . 1 . . . . A 97 ILE CG1 . 36330 1 1254 . 1 . 1 97 97 ILE CG2 C 13 13.931 0.300 . 1 . . . . A 97 ILE CG2 . 36330 1 1255 . 1 . 1 97 97 ILE CD1 C 13 17.223 0.300 . 1 . . . . A 97 ILE CD1 . 36330 1 1256 . 1 . 1 97 97 ILE N N 15 127.990 0.300 . 1 . . . . A 97 ILE N . 36330 1 1257 . 1 . 1 98 98 LEU H H 1 9.245 0.030 . 1 . . . . A 98 LEU H . 36330 1 1258 . 1 . 1 98 98 LEU HA H 1 4.690 0.030 . 1 . . . . A 98 LEU HA . 36330 1 1259 . 1 . 1 98 98 LEU HB2 H 1 1.321 0.030 . 2 . . . . A 98 LEU HB2 . 36330 1 1260 . 1 . 1 98 98 LEU HB3 H 1 1.741 0.030 . 2 . . . . A 98 LEU HB3 . 36330 1 1261 . 1 . 1 98 98 LEU HD11 H 1 0.834 0.030 . 2 . . . . A 98 LEU HD11 . 36330 1 1262 . 1 . 1 98 98 LEU HD12 H 1 0.834 0.030 . 2 . . . . A 98 LEU HD12 . 36330 1 1263 . 1 . 1 98 98 LEU HD13 H 1 0.834 0.030 . 2 . . . . A 98 LEU HD13 . 36330 1 1264 . 1 . 1 98 98 LEU HD21 H 1 0.854 0.030 . 2 . . . . A 98 LEU HD21 . 36330 1 1265 . 1 . 1 98 98 LEU HD22 H 1 0.854 0.030 . 2 . . . . A 98 LEU HD22 . 36330 1 1266 . 1 . 1 98 98 LEU HD23 H 1 0.854 0.030 . 2 . . . . A 98 LEU HD23 . 36330 1 1267 . 1 . 1 98 98 LEU C C 13 174.264 0.300 . 1 . . . . A 98 LEU C . 36330 1 1268 . 1 . 1 98 98 LEU CA C 13 54.235 0.300 . 1 . . . . A 98 LEU CA . 36330 1 1269 . 1 . 1 98 98 LEU CB C 13 44.202 0.300 . 1 . . . . A 98 LEU CB . 36330 1 1270 . 1 . 1 98 98 LEU CD2 C 13 25.674 0.300 . 2 . . . . A 98 LEU CD2 . 36330 1 1271 . 1 . 1 98 98 LEU N N 15 129.649 0.300 . 1 . . . . A 98 LEU N . 36330 1 1272 . 1 . 1 99 99 ARG H H 1 8.491 0.030 . 1 . . . . A 99 ARG H . 36330 1 1273 . 1 . 1 99 99 ARG HA H 1 5.190 0.030 . 1 . . . . A 99 ARG HA . 36330 1 1274 . 1 . 1 99 99 ARG HB2 H 1 1.623 0.030 . 2 . . . . A 99 ARG HB2 . 36330 1 1275 . 1 . 1 99 99 ARG HB3 H 1 1.889 0.030 . 2 . . . . A 99 ARG HB3 . 36330 1 1276 . 1 . 1 99 99 ARG HG2 H 1 1.613 0.030 . 1 . . . . A 99 ARG HG2 . 36330 1 1277 . 1 . 1 99 99 ARG HG3 H 1 1.613 0.030 . 1 . . . . A 99 ARG HG3 . 36330 1 1278 . 1 . 1 99 99 ARG HD2 H 1 3.094 0.030 . 1 . . . . A 99 ARG HD2 . 36330 1 1279 . 1 . 1 99 99 ARG HD3 H 1 3.094 0.030 . 1 . . . . A 99 ARG HD3 . 36330 1 1280 . 1 . 1 99 99 ARG HE H 1 7.251 0.030 . 1 . . . . A 99 ARG HE . 36330 1 1281 . 1 . 1 99 99 ARG C C 13 176.886 0.300 . 1 . . . . A 99 ARG C . 36330 1 1282 . 1 . 1 99 99 ARG CA C 13 54.155 0.300 . 1 . . . . A 99 ARG CA . 36330 1 1283 . 1 . 1 99 99 ARG CB C 13 31.797 0.300 . 1 . . . . A 99 ARG CB . 36330 1 1284 . 1 . 1 99 99 ARG CG C 13 27.168 0.300 . 1 . . . . A 99 ARG CG . 36330 1 1285 . 1 . 1 99 99 ARG CD C 13 42.999 0.300 . 1 . . . . A 99 ARG CD . 36330 1 1286 . 1 . 1 99 99 ARG N N 15 122.252 0.300 . 1 . . . . A 99 ARG N . 36330 1 1287 . 1 . 1 99 99 ARG NE N 15 84.038 0.300 . 1 . . . . A 99 ARG NE . 36330 1 1288 . 1 . 1 100 100 GLY H H 1 8.752 0.030 . 1 . . . . A 100 GLY H . 36330 1 1289 . 1 . 1 100 100 GLY HA2 H 1 3.786 0.030 . 2 . . . . A 100 GLY HA2 . 36330 1 1290 . 1 . 1 100 100 GLY HA3 H 1 4.309 0.030 . 2 . . . . A 100 GLY HA3 . 36330 1 1291 . 1 . 1 100 100 GLY C C 13 172.486 0.300 . 1 . . . . A 100 GLY C . 36330 1 1292 . 1 . 1 100 100 GLY CA C 13 45.389 0.300 . 1 . . . . A 100 GLY CA . 36330 1 1293 . 1 . 1 100 100 GLY N N 15 112.625 0.300 . 1 . . . . A 100 GLY N . 36330 1 1294 . 1 . 1 101 101 SER H H 1 8.410 0.030 . 1 . . . . A 101 SER H . 36330 1 1295 . 1 . 1 101 101 SER HA H 1 4.648 0.030 . 1 . . . . A 101 SER HA . 36330 1 1296 . 1 . 1 101 101 SER HB2 H 1 3.900 0.030 . 1 . . . . A 101 SER HB2 . 36330 1 1297 . 1 . 1 101 101 SER HB3 H 1 3.900 0.030 . 1 . . . . A 101 SER HB3 . 36330 1 1298 . 1 . 1 101 101 SER C C 13 174.366 0.300 . 1 . . . . A 101 SER C . 36330 1 1299 . 1 . 1 101 101 SER CA C 13 57.893 0.300 . 1 . . . . A 101 SER CA . 36330 1 1300 . 1 . 1 101 101 SER CB C 13 64.419 0.300 . 1 . . . . A 101 SER CB . 36330 1 1301 . 1 . 1 101 101 SER N N 15 115.031 0.300 . 1 . . . . A 101 SER N . 36330 1 1302 . 1 . 1 102 102 LEU H H 1 8.432 0.030 . 1 . . . . A 102 LEU H . 36330 1 1303 . 1 . 1 102 102 LEU HA H 1 4.465 0.030 . 1 . . . . A 102 LEU HA . 36330 1 1304 . 1 . 1 102 102 LEU HB2 H 1 1.630 0.030 . 1 . . . . A 102 LEU HB2 . 36330 1 1305 . 1 . 1 102 102 LEU HB3 H 1 1.630 0.030 . 1 . . . . A 102 LEU HB3 . 36330 1 1306 . 1 . 1 102 102 LEU HG H 1 1.656 0.030 . 1 . . . . A 102 LEU HG . 36330 1 1307 . 1 . 1 102 102 LEU HD11 H 1 0.879 0.030 . 2 . . . . A 102 LEU HD11 . 36330 1 1308 . 1 . 1 102 102 LEU HD12 H 1 0.879 0.030 . 2 . . . . A 102 LEU HD12 . 36330 1 1309 . 1 . 1 102 102 LEU HD13 H 1 0.879 0.030 . 2 . . . . A 102 LEU HD13 . 36330 1 1310 . 1 . 1 102 102 LEU HD21 H 1 0.938 0.030 . 2 . . . . A 102 LEU HD21 . 36330 1 1311 . 1 . 1 102 102 LEU HD22 H 1 0.938 0.030 . 2 . . . . A 102 LEU HD22 . 36330 1 1312 . 1 . 1 102 102 LEU HD23 H 1 0.938 0.030 . 2 . . . . A 102 LEU HD23 . 36330 1 1313 . 1 . 1 102 102 LEU C C 13 177.188 0.300 . 1 . . . . A 102 LEU C . 36330 1 1314 . 1 . 1 102 102 LEU CA C 13 55.146 0.300 . 1 . . . . A 102 LEU CA . 36330 1 1315 . 1 . 1 102 102 LEU CB C 13 42.540 0.300 . 1 . . . . A 102 LEU CB . 36330 1 1316 . 1 . 1 102 102 LEU CG C 13 27.148 0.300 . 1 . . . . A 102 LEU CG . 36330 1 1317 . 1 . 1 102 102 LEU CD1 C 13 23.975 0.300 . 2 . . . . A 102 LEU CD1 . 36330 1 1318 . 1 . 1 102 102 LEU CD2 C 13 25.188 0.300 . 2 . . . . A 102 LEU CD2 . 36330 1 1319 . 1 . 1 102 102 LEU N N 15 123.982 0.300 . 1 . . . . A 102 LEU N . 36330 1 1320 . 1 . 1 103 103 GLU H H 1 8.479 0.030 . 1 . . . . A 103 GLU H . 36330 1 1321 . 1 . 1 103 103 GLU HA H 1 4.264 0.030 . 1 . . . . A 103 GLU HA . 36330 1 1322 . 1 . 1 103 103 GLU HB2 H 1 1.885 0.030 . 2 . . . . A 103 GLU HB2 . 36330 1 1323 . 1 . 1 103 103 GLU HB3 H 1 1.955 0.030 . 2 . . . . A 103 GLU HB3 . 36330 1 1324 . 1 . 1 103 103 GLU HG2 H 1 2.206 0.030 . 1 . . . . A 103 GLU HG2 . 36330 1 1325 . 1 . 1 103 103 GLU HG3 H 1 2.206 0.030 . 1 . . . . A 103 GLU HG3 . 36330 1 1326 . 1 . 1 103 103 GLU C C 13 174.116 0.300 . 1 . . . . A 103 GLU C . 36330 1 1327 . 1 . 1 103 103 GLU CA C 13 56.628 0.300 . 1 . . . . A 103 GLU CA . 36330 1 1328 . 1 . 1 103 103 GLU CB C 13 30.438 0.300 . 1 . . . . A 103 GLU CB . 36330 1 1329 . 1 . 1 103 103 GLU CG C 13 36.250 0.300 . 1 . . . . A 103 GLU CG . 36330 1 1330 . 1 . 1 103 103 GLU N N 15 121.457 0.300 . 1 . . . . A 103 GLU N . 36330 1 1331 . 1 . 1 104 104 HIS H H 1 8.037 0.030 . 1 . . . . A 104 HIS H . 36330 1 1332 . 1 . 1 104 104 HIS HA H 1 4.272 0.030 . 1 . . . . A 104 HIS HA . 36330 1 1333 . 1 . 1 104 104 HIS CA C 13 58.243 0.300 . 1 . . . . A 104 HIS CA . 36330 1 1334 . 1 . 1 104 104 HIS N N 15 125.547 0.300 . 1 . . . . A 104 HIS N . 36330 1 1335 . 1 . 1 105 105 HIS CB C 13 30.738 0.300 . 1 . . . . A 105 HIS CB . 36330 1 1336 . 1 . 1 106 106 HIS C C 13 178.672 0.300 . 1 . . . . A 106 HIS C . 36330 1 1337 . 1 . 1 107 107 HIS C C 13 178.660 0.300 . 1 . . . . A 107 HIS C . 36330 1 1338 . 1 . 1 109 109 HIS CB C 13 30.899 0.300 . 1 . . . . A 109 HIS CB . 36330 1 stop_ save_