data_15225 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15225 _Entry.Title ; 1H, 13C, and 15N resonance assignments of domain 2 of non-structural protein 5A (NS5A) of hepatitis C virus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-04-26 _Entry.Accession_date 2007-04-26 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yu Liang . . . 15225 2 Hong Ye . . . 15225 3 'Cong Bao' Kang . . . 15225 4 'Ho Sup' Yoon . . . 15225 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Prof. Yoon's group, School of Biological Sciences, Nanyang Technological University, Singapore' . 15225 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15225 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 385 15225 '15N chemical shifts' 93 15225 '1H chemical shifts' 636 15225 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 . . 2010-09-16 2007-04-26 update author 'update chemical shifts' 15225 1 . . 2007-10-29 2007-04-26 original author 'original release' 15225 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15225 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17880107 _Citation.Full_citation . _Citation.Title 'Domain 2 of Non-structural Protein 5A (NS5A) of Hepatitis C Virus is Natively Unfolded' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 46 _Citation.Journal_issue 41 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _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 11550 _Citation.Page_last 11558 _Citation.Year 2007 _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.Entry_ID _Citation_author.Citation_ID 1 Yu Liang . . . 15225 1 2 Hong Ye . . . 15225 1 3 'Cong Bao' Kang . . . 15225 1 4 'Ho Sup' Yoon . . . 15225 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Hepatitis C Virus' 15225 1 'Natively unfolded proteins' 15225 1 NMR 15225 1 NS5A 15225 1 'NS5A domain 2' 15225 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15225 _Assembly.ID 1 _Assembly.Name 'Domain 2 of Non-structural Protein 5A (NS5AD2)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 11856 _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 'Domain 2 of Non-structural Protein 5A (NS5AD2)' 1 $Domain_2_of_Non-structural_Protein_5A_(NS5AD2) A . yes unfolded no no . . . 15225 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Domain_2_of_Non-structural_Protein_5A_(NS5AD2) _Entity.Sf_category entity _Entity.Sf_framecode Domain_2_of_Non-structural_Protein_5A_(NS5AD2) _Entity.Entry_ID 15225 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Domain_2_of_Non-structural_Protein_5A_(NS5AD2) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KATCTANHDSPDAELIEANL LWRQEMGGNITRVESENKVV ILDSFDPLVAEEDEREVSVP AEILRKSRRFARALPVWARP DYNPPLVETWKKPDYEHHHH HH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Domain 2 of Non-structural Protein 5A' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no EMBL CAJ20207 . "non structural protein 5A, partial [Hepatitis C virus]" . . . . . 61.76 114 98.41 100.00 1.52e-35 . . . . 15225 1 2 no EMBL CAJ20220 . "non structural protein 5A, partial [Hepatitis C virus]" . . . . . 61.76 114 98.41 100.00 1.71e-35 . . . . 15225 1 3 no GB AAA45534 . "polyprotein [Hepatitis C virus subtype 1a]" . . . . . 94.12 3011 97.92 97.92 1.82e-56 . . . . 15225 1 4 no GB AAA45676 . "polyprotein [Hepatitis C virus subtype 1a]" . . . . . 94.12 3011 97.92 100.00 4.56e-58 . . . . 15225 1 5 no GB AAA45677 . "polyprotein, partial [Hepatitis C virus]" . . . . . 94.12 2436 97.92 100.00 4.91e-58 . . . . 15225 1 6 no GB AAB66324 . "polyprotein [Hepatitis C virus subtype 1a]" . . . . . 94.12 3011 100.00 100.00 4.62e-59 . . . . 15225 1 7 no GB AAB67036 . "polyprotein [Hepatitis C virus (isolate H77)]" . . . . . 94.12 3011 100.00 100.00 4.62e-59 . . . . 15225 1 8 no REF NP_671491 . "polyprotein [Hepatitis C virus]" . . . . . 94.12 3011 100.00 100.00 4.62e-59 . . . . 15225 1 9 no REF NP_751927 . "NS5A protein [Hepatitis C virus]" . . . . . 94.12 448 100.00 100.00 1.28e-58 . . . . 15225 1 10 no SP P26664 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " . . . . . 94.12 3011 97.92 100.00 4.56e-58 . . . . 15225 1 11 no SP P27958 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " . . . . . 94.12 3011 97.92 97.92 1.82e-56 . . . . 15225 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'resistance to IFN' 15225 1 'viral replication' 15225 1 stop_ 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 . LYS . 15225 1 2 . ALA . 15225 1 3 . THR . 15225 1 4 . CYS . 15225 1 5 . THR . 15225 1 6 . ALA . 15225 1 7 . ASN . 15225 1 8 . HIS . 15225 1 9 . ASP . 15225 1 10 . SER . 15225 1 11 . PRO . 15225 1 12 . ASP . 15225 1 13 . ALA . 15225 1 14 . GLU . 15225 1 15 . LEU . 15225 1 16 . ILE . 15225 1 17 . GLU . 15225 1 18 . ALA . 15225 1 19 . ASN . 15225 1 20 . LEU . 15225 1 21 . LEU . 15225 1 22 . TRP . 15225 1 23 . ARG . 15225 1 24 . GLN . 15225 1 25 . GLU . 15225 1 26 . MET . 15225 1 27 . GLY . 15225 1 28 . GLY . 15225 1 29 . ASN . 15225 1 30 . ILE . 15225 1 31 . THR . 15225 1 32 . ARG . 15225 1 33 . VAL . 15225 1 34 . GLU . 15225 1 35 . SER . 15225 1 36 . GLU . 15225 1 37 . ASN . 15225 1 38 . LYS . 15225 1 39 . VAL . 15225 1 40 . VAL . 15225 1 41 . ILE . 15225 1 42 . LEU . 15225 1 43 . ASP . 15225 1 44 . SER . 15225 1 45 . PHE . 15225 1 46 . ASP . 15225 1 47 . PRO . 15225 1 48 . LEU . 15225 1 49 . VAL . 15225 1 50 . ALA . 15225 1 51 . GLU . 15225 1 52 . GLU . 15225 1 53 . ASP . 15225 1 54 . GLU . 15225 1 55 . ARG . 15225 1 56 . GLU . 15225 1 57 . VAL . 15225 1 58 . SER . 15225 1 59 . VAL . 15225 1 60 . PRO . 15225 1 61 . ALA . 15225 1 62 . GLU . 15225 1 63 . ILE . 15225 1 64 . LEU . 15225 1 65 . ARG . 15225 1 66 . LYS . 15225 1 67 . SER . 15225 1 68 . ARG . 15225 1 69 . ARG . 15225 1 70 . PHE . 15225 1 71 . ALA . 15225 1 72 . ARG . 15225 1 73 . ALA . 15225 1 74 . LEU . 15225 1 75 . PRO . 15225 1 76 . VAL . 15225 1 77 . TRP . 15225 1 78 . ALA . 15225 1 79 . ARG . 15225 1 80 . PRO . 15225 1 81 . ASP . 15225 1 82 . TYR . 15225 1 83 . ASN . 15225 1 84 . PRO . 15225 1 85 . PRO . 15225 1 86 . LEU . 15225 1 87 . VAL . 15225 1 88 . GLU . 15225 1 89 . THR . 15225 1 90 . TRP . 15225 1 91 . LYS . 15225 1 92 . LYS . 15225 1 93 . PRO . 15225 1 94 . ASP . 15225 1 95 . TYR . 15225 1 96 . GLU . 15225 1 97 . HIS . 15225 1 98 . HIS . 15225 1 99 . HIS . 15225 1 100 . HIS . 15225 1 101 . HIS . 15225 1 102 . HIS . 15225 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 . LYS 1 1 15225 1 . ALA 2 2 15225 1 . THR 3 3 15225 1 . CYS 4 4 15225 1 . THR 5 5 15225 1 . ALA 6 6 15225 1 . ASN 7 7 15225 1 . HIS 8 8 15225 1 . ASP 9 9 15225 1 . SER 10 10 15225 1 . PRO 11 11 15225 1 . ASP 12 12 15225 1 . ALA 13 13 15225 1 . GLU 14 14 15225 1 . LEU 15 15 15225 1 . ILE 16 16 15225 1 . GLU 17 17 15225 1 . ALA 18 18 15225 1 . ASN 19 19 15225 1 . LEU 20 20 15225 1 . LEU 21 21 15225 1 . TRP 22 22 15225 1 . ARG 23 23 15225 1 . GLN 24 24 15225 1 . GLU 25 25 15225 1 . MET 26 26 15225 1 . GLY 27 27 15225 1 . GLY 28 28 15225 1 . ASN 29 29 15225 1 . ILE 30 30 15225 1 . THR 31 31 15225 1 . ARG 32 32 15225 1 . VAL 33 33 15225 1 . GLU 34 34 15225 1 . SER 35 35 15225 1 . GLU 36 36 15225 1 . ASN 37 37 15225 1 . LYS 38 38 15225 1 . VAL 39 39 15225 1 . VAL 40 40 15225 1 . ILE 41 41 15225 1 . LEU 42 42 15225 1 . ASP 43 43 15225 1 . SER 44 44 15225 1 . PHE 45 45 15225 1 . ASP 46 46 15225 1 . PRO 47 47 15225 1 . LEU 48 48 15225 1 . VAL 49 49 15225 1 . ALA 50 50 15225 1 . GLU 51 51 15225 1 . GLU 52 52 15225 1 . ASP 53 53 15225 1 . GLU 54 54 15225 1 . ARG 55 55 15225 1 . GLU 56 56 15225 1 . VAL 57 57 15225 1 . SER 58 58 15225 1 . VAL 59 59 15225 1 . PRO 60 60 15225 1 . ALA 61 61 15225 1 . GLU 62 62 15225 1 . ILE 63 63 15225 1 . LEU 64 64 15225 1 . ARG 65 65 15225 1 . LYS 66 66 15225 1 . SER 67 67 15225 1 . ARG 68 68 15225 1 . ARG 69 69 15225 1 . PHE 70 70 15225 1 . ALA 71 71 15225 1 . ARG 72 72 15225 1 . ALA 73 73 15225 1 . LEU 74 74 15225 1 . PRO 75 75 15225 1 . VAL 76 76 15225 1 . TRP 77 77 15225 1 . ALA 78 78 15225 1 . ARG 79 79 15225 1 . PRO 80 80 15225 1 . ASP 81 81 15225 1 . TYR 82 82 15225 1 . ASN 83 83 15225 1 . PRO 84 84 15225 1 . PRO 85 85 15225 1 . LEU 86 86 15225 1 . VAL 87 87 15225 1 . GLU 88 88 15225 1 . THR 89 89 15225 1 . TRP 90 90 15225 1 . LYS 91 91 15225 1 . LYS 92 92 15225 1 . PRO 93 93 15225 1 . ASP 94 94 15225 1 . TYR 95 95 15225 1 . GLU 96 96 15225 1 . HIS 97 97 15225 1 . HIS 98 98 15225 1 . HIS 99 99 15225 1 . HIS 100 100 15225 1 . HIS 101 101 15225 1 . HIS 102 102 15225 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 15225 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Domain_2_of_Non-structural_Protein_5A_(NS5AD2) . 11103 virus . 'flaviviridae hepatitis c virus' 'hepatitis c virus' . . . Viruses . Hepacivirus 'Hepatitis C virus' 'genotype 1a' . . . . . . . . . . . . . . HCV . 'Hepatitis c virus NS5A' . . 15225 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 15225 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Domain_2_of_Non-structural_Protein_5A_(NS5AD2) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-Ub-NS5A-D2-His . . . . . . 15225 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15225 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Domain 2 of Non-structural Protein 5A (NS5AD2)' [U-15N] . . 1 $Domain_2_of_Non-structural_Protein_5A_(NS5AD2) . . 0.6 . . mM . . . . 15225 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15225 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15225 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 15225 1 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 15225 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15225 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Domain 2 of Non-structural Protein 5A (NS5AD2)' '[U-13C; U-15N]' . . 1 $Domain_2_of_Non-structural_Protein_5A_(NS5AD2) . . 0.6 . . mM . . . . 15225 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15225 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15225 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 15225 2 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 15225 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 15225 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 15225 1 pH 6.5 . pH 15225 1 pressure 1 . atm 15225 1 temperature 298 . K 15225 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15225 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15225 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15225 1 processing 15225 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 15225 _Software.ID 2 _Software.Name FELIX _Software.Version 2004 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 15225 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15225 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15225 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15225 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 15225 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 15225 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15225 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15225 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15225 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15225 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15225 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15225 1 7 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15225 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15225 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15225 1 10 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15225 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15225 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15225 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15225 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15225 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15225 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 15225 1 2 '3D HNCACB' . . . 15225 1 3 '3D CBCA(CO)NH' . . . 15225 1 4 '3D HNCA' . . . 15225 1 5 '3D HN(CO)CA' . . . 15225 1 6 '3D HNCO' . . . 15225 1 7 '3D HNHA' . . . 15225 1 8 '3D 1H-15N NOESY' . . . 15225 1 9 '3D HCCH-TOCSY' . . . 15225 1 10 '3D H(CCO)NH' . . . 15225 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 15225 1 2 $Felix . . 15225 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.408 0.020 . 1 . . . . 2 ALA HA . 15225 1 2 . 1 1 2 2 ALA HB1 H 1 1.350 0.020 . 1 . . . . 2 ALA HB . 15225 1 3 . 1 1 2 2 ALA HB2 H 1 1.350 0.020 . 1 . . . . 2 ALA HB . 15225 1 4 . 1 1 2 2 ALA HB3 H 1 1.350 0.020 . 1 . . . . 2 ALA HB . 15225 1 5 . 1 1 2 2 ALA C C 13 176.901 0.300 . 1 . . . . 2 ALA C . 15225 1 6 . 1 1 2 2 ALA CA C 13 52.253 0.300 . 1 . . . . 2 ALA CA . 15225 1 7 . 1 1 2 2 ALA CB C 13 18.699 0.300 . 1 . . . . 2 ALA CB . 15225 1 8 . 1 1 3 3 THR H H 1 8.250 0.020 . 1 . . . . 3 THR H . 15225 1 9 . 1 1 3 3 THR HA H 1 4.267 0.020 . 1 . . . . 3 THR HA . 15225 1 10 . 1 1 3 3 THR HB H 1 4.078 0.020 . 1 . . . . 3 THR HB . 15225 1 11 . 1 1 3 3 THR HG21 H 1 1.113 0.020 . 1 . . . . 3 THR HG2 . 15225 1 12 . 1 1 3 3 THR HG22 H 1 1.113 0.020 . 1 . . . . 3 THR HG2 . 15225 1 13 . 1 1 3 3 THR HG23 H 1 1.113 0.020 . 1 . . . . 3 THR HG2 . 15225 1 14 . 1 1 3 3 THR C C 13 173.519 0.300 . 1 . . . . 3 THR C . 15225 1 15 . 1 1 3 3 THR CA C 13 61.714 0.300 . 1 . . . . 3 THR CA . 15225 1 16 . 1 1 3 3 THR CB C 13 69.369 0.300 . 1 . . . . 3 THR CB . 15225 1 17 . 1 1 3 3 THR CG2 C 13 20.964 0.300 . 1 . . . . 3 THR CG2 . 15225 1 18 . 1 1 3 3 THR N N 15 114.285 0.300 . 1 . . . . 3 THR N . 15225 1 19 . 1 1 4 4 CYS H H 1 8.289 0.020 . 1 . . . . 4 CYS H . 15225 1 20 . 1 1 4 4 CYS HA H 1 4.325 0.020 . 1 . . . . 4 CYS HA . 15225 1 21 . 1 1 4 4 CYS HB2 H 1 3.041 0.020 . 1 . . . . 4 CYS HB2 . 15225 1 22 . 1 1 4 4 CYS HB3 H 1 2.971 0.020 . 1 . . . . 4 CYS HB3 . 15225 1 23 . 1 1 4 4 CYS HG H 1 2.102 0.020 . 1 . . . . 4 CYS HG . 15225 1 24 . 1 1 4 4 CYS C C 13 176.019 0.300 . 1 . . . . 4 CYS C . 15225 1 25 . 1 1 4 4 CYS CA C 13 55.525 0.300 . 1 . . . . 4 CYS CA . 15225 1 26 . 1 1 4 4 CYS CB C 13 30.241 0.300 . 1 . . . . 4 CYS CB . 15225 1 27 . 1 1 4 4 CYS N N 15 124.313 0.300 . 1 . . . . 4 CYS N . 15225 1 28 . 1 1 5 5 THR H H 1 8.008 0.020 . 1 . . . . 5 THR H . 15225 1 29 . 1 1 5 5 THR HA H 1 4.128 0.020 . 1 . . . . 5 THR HA . 15225 1 30 . 1 1 5 5 THR HB H 1 4.109 0.020 . 1 . . . . 5 THR HB . 15225 1 31 . 1 1 5 5 THR HG21 H 1 1.128 0.020 . 1 . . . . 5 THR HG2 . 15225 1 32 . 1 1 5 5 THR HG22 H 1 1.128 0.020 . 1 . . . . 5 THR HG2 . 15225 1 33 . 1 1 5 5 THR HG23 H 1 1.128 0.020 . 1 . . . . 5 THR HG2 . 15225 1 34 . 1 1 5 5 THR C C 13 174.822 0.300 . 1 . . . . 5 THR C . 15225 1 35 . 1 1 5 5 THR CA C 13 61.870 0.300 . 1 . . . . 5 THR CA . 15225 1 36 . 1 1 5 5 THR CB C 13 68.961 0.300 . 1 . . . . 5 THR CB . 15225 1 37 . 1 1 5 5 THR CG2 C 13 19.668 0.300 . 1 . . . . 5 THR CG2 . 15225 1 38 . 1 1 5 5 THR N N 15 114.816 0.300 . 1 . . . . 5 THR N . 15225 1 39 . 1 1 6 6 ALA H H 1 8.270 0.020 . 1 . . . . 6 ALA H . 15225 1 40 . 1 1 6 6 ALA HA H 1 4.115 0.020 . 1 . . . . 6 ALA HA . 15225 1 41 . 1 1 6 6 ALA HB1 H 1 1.273 0.020 . 1 . . . . 6 ALA HB . 15225 1 42 . 1 1 6 6 ALA HB2 H 1 1.273 0.020 . 1 . . . . 6 ALA HB . 15225 1 43 . 1 1 6 6 ALA HB3 H 1 1.273 0.020 . 1 . . . . 6 ALA HB . 15225 1 44 . 1 1 6 6 ALA C C 13 176.529 0.300 . 1 . . . . 6 ALA C . 15225 1 45 . 1 1 6 6 ALA CA C 13 52.200 0.300 . 1 . . . . 6 ALA CA . 15225 1 46 . 1 1 6 6 ALA CB C 13 18.729 0.300 . 1 . . . . 6 ALA CB . 15225 1 47 . 1 1 6 6 ALA N N 15 126.372 0.300 . 1 . . . . 6 ALA N . 15225 1 48 . 1 1 7 7 ASN H H 1 8.287 0.020 . 1 . . . . 7 ASN H . 15225 1 49 . 1 1 7 7 ASN HA H 1 4.533 0.020 . 1 . . . . 7 ASN HA . 15225 1 50 . 1 1 7 7 ASN HB2 H 1 2.743 0.020 . 1 . . . . 7 ASN HB2 . 15225 1 51 . 1 1 7 7 ASN HB3 H 1 2.668 0.020 . 1 . . . . 7 ASN HB3 . 15225 1 52 . 1 1 7 7 ASN HD21 H 1 7.432 0.020 . 1 . . . . 7 ASN HD21 . 15225 1 53 . 1 1 7 7 ASN HD22 H 1 6.777 0.020 . 1 . . . . 7 ASN HD22 . 15225 1 54 . 1 1 7 7 ASN C C 13 175.670 0.300 . 1 . . . . 7 ASN C . 15225 1 55 . 1 1 7 7 ASN CA C 13 52.501 0.300 . 1 . . . . 7 ASN CA . 15225 1 56 . 1 1 7 7 ASN CB C 13 38.430 0.300 . 1 . . . . 7 ASN CB . 15225 1 57 . 1 1 7 7 ASN N N 15 117.738 0.300 . 1 . . . . 7 ASN N . 15225 1 58 . 1 1 7 7 ASN ND2 N 15 111.962 0.300 . 1 . . . . 7 ASN ND2 . 15225 1 59 . 1 1 8 8 HIS H H 1 8.148 0.020 . 1 . . . . 8 HIS H . 15225 1 60 . 1 1 8 8 HIS HA H 1 4.286 0.020 . 1 . . . . 8 HIS HA . 15225 1 61 . 1 1 8 8 HIS HB2 H 1 3.155 0.020 . 1 . . . . 8 HIS HB2 . 15225 1 62 . 1 1 8 8 HIS HB3 H 1 3.064 0.020 . 1 . . . . 8 HIS HB3 . 15225 1 63 . 1 1 8 8 HIS C C 13 175.710 0.300 . 1 . . . . 8 HIS C . 15225 1 64 . 1 1 8 8 HIS CA C 13 56.459 0.300 . 1 . . . . 8 HIS CA . 15225 1 65 . 1 1 8 8 HIS CB C 13 29.454 0.300 . 1 . . . . 8 HIS CB . 15225 1 66 . 1 1 8 8 HIS N N 15 121.590 0.300 . 1 . . . . 8 HIS N . 15225 1 67 . 1 1 9 9 ASP H H 1 8.274 0.020 . 1 . . . . 9 ASP H . 15225 1 68 . 1 1 9 9 ASP HA H 1 4.472 0.020 . 1 . . . . 9 ASP HA . 15225 1 69 . 1 1 9 9 ASP HB2 H 1 2.550 0.020 . 1 . . . . 9 ASP HB2 . 15225 1 70 . 1 1 9 9 ASP HB3 H 1 2.550 0.020 . 1 . . . . 9 ASP HB3 . 15225 1 71 . 1 1 9 9 ASP C C 13 175.239 0.300 . 1 . . . . 9 ASP C . 15225 1 72 . 1 1 9 9 ASP CA C 13 53.977 0.300 . 1 . . . . 9 ASP CA . 15225 1 73 . 1 1 9 9 ASP CB C 13 40.874 0.300 . 1 . . . . 9 ASP CB . 15225 1 74 . 1 1 9 9 ASP N N 15 121.258 0.300 . 1 . . . . 9 ASP N . 15225 1 75 . 1 1 10 10 SER H H 1 8.110 0.020 . 1 . . . . 10 SER H . 15225 1 76 . 1 1 10 10 SER HA H 1 4.676 0.020 . 1 . . . . 10 SER HA . 15225 1 77 . 1 1 10 10 SER HB2 H 1 3.812 0.020 . 1 . . . . 10 SER HB2 . 15225 1 78 . 1 1 10 10 SER HB3 H 1 3.769 0.020 . 1 . . . . 10 SER HB3 . 15225 1 79 . 1 1 10 10 SER CA C 13 55.661 0.300 . 1 . . . . 10 SER CA . 15225 1 80 . 1 1 10 10 SER CB C 13 63.136 0.300 . 1 . . . . 10 SER CB . 15225 1 81 . 1 1 10 10 SER N N 15 116.477 0.300 . 1 . . . . 10 SER N . 15225 1 82 . 1 1 11 11 PRO HA H 1 4.387 0.020 . 1 . . . . 11 PRO HA . 15225 1 83 . 1 1 11 11 PRO HB2 H 1 2.219 0.020 . 1 . . . . 11 PRO HB2 . 15225 1 84 . 1 1 11 11 PRO HB3 H 1 2.219 0.020 . 1 . . . . 11 PRO HB3 . 15225 1 85 . 1 1 11 11 PRO HD2 H 1 3.676 0.020 . 1 . . . . 11 PRO HD2 . 15225 1 86 . 1 1 11 11 PRO HD3 H 1 3.676 0.020 . 1 . . . . 11 PRO HD3 . 15225 1 87 . 1 1 11 11 PRO HG2 H 1 1.916 0.020 . 1 . . . . 11 PRO HG2 . 15225 1 88 . 1 1 11 11 PRO HG3 H 1 1.916 0.020 . 1 . . . . 11 PRO HG3 . 15225 1 89 . 1 1 11 11 PRO C C 13 176.108 0.300 . 1 . . . . 11 PRO C . 15225 1 90 . 1 1 11 11 PRO CA C 13 63.277 0.300 . 1 . . . . 11 PRO CA . 15225 1 91 . 1 1 11 11 PRO CB C 13 31.621 0.300 . 1 . . . . 11 PRO CB . 15225 1 92 . 1 1 11 11 PRO CD C 13 50.223 0.300 . 1 . . . . 11 PRO CD . 15225 1 93 . 1 1 11 11 PRO CG C 13 26.780 0.300 . 1 . . . . 11 PRO CG . 15225 1 94 . 1 1 12 12 ASP H H 1 8.199 0.020 . 1 . . . . 12 ASP H . 15225 1 95 . 1 1 12 12 ASP HA H 1 4.462 0.020 . 1 . . . . 12 ASP HA . 15225 1 96 . 1 1 12 12 ASP HB2 H 1 2.617 0.020 . 1 . . . . 12 ASP HB2 . 15225 1 97 . 1 1 12 12 ASP HB3 H 1 2.494 0.020 . 1 . . . . 12 ASP HB3 . 15225 1 98 . 1 1 12 12 ASP C C 13 175.047 0.300 . 1 . . . . 12 ASP C . 15225 1 99 . 1 1 12 12 ASP CA C 13 53.955 0.300 . 1 . . . . 12 ASP CA . 15225 1 100 . 1 1 12 12 ASP CB C 13 40.555 0.300 . 1 . . . . 12 ASP CB . 15225 1 101 . 1 1 12 12 ASP N N 15 119.465 0.300 . 1 . . . . 12 ASP N . 15225 1 102 . 1 1 13 13 ALA H H 1 7.945 0.020 . 1 . . . . 13 ALA H . 15225 1 103 . 1 1 13 13 ALA HA H 1 4.223 0.020 . 1 . . . . 13 ALA HA . 15225 1 104 . 1 1 13 13 ALA HB1 H 1 1.312 0.020 . 1 . . . . 13 ALA HB . 15225 1 105 . 1 1 13 13 ALA HB2 H 1 1.312 0.020 . 1 . . . . 13 ALA HB . 15225 1 106 . 1 1 13 13 ALA HB3 H 1 1.312 0.020 . 1 . . . . 13 ALA HB . 15225 1 107 . 1 1 13 13 ALA C C 13 177.014 0.300 . 1 . . . . 13 ALA C . 15225 1 108 . 1 1 13 13 ALA CA C 13 51.947 0.300 . 1 . . . . 13 ALA CA . 15225 1 109 . 1 1 13 13 ALA CB C 13 19.145 0.300 . 1 . . . . 13 ALA CB . 15225 1 110 . 1 1 13 13 ALA N N 15 123.649 0.300 . 1 . . . . 13 ALA N . 15225 1 111 . 1 1 14 14 GLU H H 1 8.297 0.020 . 1 . . . . 14 GLU H . 15225 1 112 . 1 1 14 14 GLU HA H 1 4.167 0.020 . 1 . . . . 14 GLU HA . 15225 1 113 . 1 1 14 14 GLU HB2 H 1 1.950 0.020 . 1 . . . . 14 GLU HB2 . 15225 1 114 . 1 1 14 14 GLU HB3 H 1 1.950 0.020 . 1 . . . . 14 GLU HB3 . 15225 1 115 . 1 1 14 14 GLU HG2 H 1 2.200 0.020 . 1 . . . . 14 GLU HG2 . 15225 1 116 . 1 1 14 14 GLU HG3 H 1 2.200 0.020 . 1 . . . . 14 GLU HG3 . 15225 1 117 . 1 1 14 14 GLU C C 13 175.925 0.300 . 1 . . . . 14 GLU C . 15225 1 118 . 1 1 14 14 GLU CA C 13 56.329 0.300 . 1 . . . . 14 GLU CA . 15225 1 119 . 1 1 14 14 GLU CB C 13 29.688 0.300 . 1 . . . . 14 GLU CB . 15225 1 120 . 1 1 14 14 GLU CG C 13 33.067 0.300 . 1 . . . . 14 GLU CG . 15225 1 121 . 1 1 14 14 GLU N N 15 120.395 0.300 . 1 . . . . 14 GLU N . 15225 1 122 . 1 1 15 15 LEU H H 1 8.007 0.020 . 1 . . . . 15 LEU H . 15225 1 123 . 1 1 15 15 LEU HA H 1 4.310 0.020 . 1 . . . . 15 LEU HA . 15225 1 124 . 1 1 15 15 LEU HB2 H 1 1.503 0.020 . 1 . . . . 15 LEU HB2 . 15225 1 125 . 1 1 15 15 LEU HB3 H 1 1.503 0.020 . 1 . . . . 15 LEU HB3 . 15225 1 126 . 1 1 15 15 LEU HD11 H 1 0.789 0.020 . 1 . . . . 15 LEU HD1 . 15225 1 127 . 1 1 15 15 LEU HD12 H 1 0.789 0.020 . 1 . . . . 15 LEU HD1 . 15225 1 128 . 1 1 15 15 LEU HD13 H 1 0.789 0.020 . 1 . . . . 15 LEU HD1 . 15225 1 129 . 1 1 15 15 LEU HD21 H 1 0.789 0.020 . 1 . . . . 15 LEU HD2 . 15225 1 130 . 1 1 15 15 LEU HD22 H 1 0.789 0.020 . 1 . . . . 15 LEU HD2 . 15225 1 131 . 1 1 15 15 LEU HD23 H 1 0.789 0.020 . 1 . . . . 15 LEU HD2 . 15225 1 132 . 1 1 15 15 LEU HG H 1 1.284 0.020 . 1 . . . . 15 LEU HG . 15225 1 133 . 1 1 15 15 LEU C C 13 176.059 0.300 . 1 . . . . 15 LEU C . 15225 1 134 . 1 1 15 15 LEU CA C 13 53.806 0.300 . 1 . . . . 15 LEU CA . 15225 1 135 . 1 1 15 15 LEU CB C 13 40.814 0.300 . 1 . . . . 15 LEU CB . 15225 1 136 . 1 1 15 15 LEU CD1 C 13 24.447 0.300 . 1 . . . . 15 LEU CD1 . 15225 1 137 . 1 1 15 15 LEU CD2 C 13 24.447 0.300 . 1 . . . . 15 LEU CD2 . 15225 1 138 . 1 1 15 15 LEU CG C 13 26.793 0.300 . 1 . . . . 15 LEU CG . 15225 1 139 . 1 1 15 15 LEU N N 15 115.252 0.300 . 1 . . . . 15 LEU N . 15225 1 140 . 1 1 16 16 ILE H H 1 8.177 0.020 . 1 . . . . 16 ILE H . 15225 1 141 . 1 1 16 16 ILE HA H 1 4.310 0.020 . 1 . . . . 16 ILE HA . 15225 1 142 . 1 1 16 16 ILE HB H 1 1.756 0.020 . 1 . . . . 16 ILE HB . 15225 1 143 . 1 1 16 16 ILE HD11 H 1 0.814 0.020 . 1 . . . . 16 ILE HD1 . 15225 1 144 . 1 1 16 16 ILE HD12 H 1 0.814 0.020 . 1 . . . . 16 ILE HD1 . 15225 1 145 . 1 1 16 16 ILE HD13 H 1 0.814 0.020 . 1 . . . . 16 ILE HD1 . 15225 1 146 . 1 1 16 16 ILE HG12 H 1 1.382 0.020 . 1 . . . . 16 ILE HG12 . 15225 1 147 . 1 1 16 16 ILE HG13 H 1 1.382 0.020 . 1 . . . . 16 ILE HG13 . 15225 1 148 . 1 1 16 16 ILE HG21 H 1 0.814 0.020 . 1 . . . . 16 ILE HG2 . 15225 1 149 . 1 1 16 16 ILE HG22 H 1 0.814 0.020 . 1 . . . . 16 ILE HG2 . 15225 1 150 . 1 1 16 16 ILE HG23 H 1 0.814 0.020 . 1 . . . . 16 ILE HG2 . 15225 1 151 . 1 1 16 16 ILE C C 13 175.801 0.300 . 1 . . . . 16 ILE C . 15225 1 152 . 1 1 16 16 ILE CA C 13 61.558 0.300 . 1 . . . . 16 ILE CA . 15225 1 153 . 1 1 16 16 ILE CB C 13 38.765 0.300 . 1 . . . . 16 ILE CB . 15225 1 154 . 1 1 16 16 ILE CD1 C 13 12.676 0.300 . 1 . . . . 16 ILE CD1 . 15225 1 155 . 1 1 16 16 ILE CG1 C 13 27.089 0.300 . 1 . . . . 16 ILE CG1 . 15225 1 156 . 1 1 16 16 ILE CG2 C 13 17.120 0.300 . 1 . . . . 16 ILE CG2 . 15225 1 157 . 1 1 16 16 ILE N N 15 120.793 0.300 . 1 . . . . 16 ILE N . 15225 1 158 . 1 1 17 17 GLU H H 1 8.414 0.020 . 1 . . . . 17 GLU H . 15225 1 159 . 1 1 17 17 GLU HA H 1 4.124 0.020 . 1 . . . . 17 GLU HA . 15225 1 160 . 1 1 17 17 GLU HB2 H 1 1.845 0.020 . 1 . . . . 17 GLU HB2 . 15225 1 161 . 1 1 17 17 GLU HB3 H 1 1.845 0.020 . 1 . . . . 17 GLU HB3 . 15225 1 162 . 1 1 17 17 GLU HG2 H 1 2.187 0.020 . 1 . . . . 17 GLU HG2 . 15225 1 163 . 1 1 17 17 GLU HG3 H 1 2.187 0.020 . 1 . . . . 17 GLU HG3 . 15225 1 164 . 1 1 17 17 GLU C C 13 175.848 0.300 . 1 . . . . 17 GLU C . 15225 1 165 . 1 1 17 17 GLU CA C 13 56.585 0.300 . 1 . . . . 17 GLU CA . 15225 1 166 . 1 1 17 17 GLU CB C 13 29.274 0.300 . 1 . . . . 17 GLU CB . 15225 1 167 . 1 1 17 17 GLU CG C 13 35.950 0.300 . 1 . . . . 17 GLU CG . 15225 1 168 . 1 1 17 17 GLU N N 15 124.512 0.300 . 1 . . . . 17 GLU N . 15225 1 169 . 1 1 18 18 ALA H H 1 8.210 0.020 . 1 . . . . 18 ALA H . 15225 1 170 . 1 1 18 18 ALA HA H 1 4.129 0.020 . 1 . . . . 18 ALA HA . 15225 1 171 . 1 1 18 18 ALA HB1 H 1 1.310 0.020 . 1 . . . . 18 ALA HB . 15225 1 172 . 1 1 18 18 ALA HB2 H 1 1.310 0.020 . 1 . . . . 18 ALA HB . 15225 1 173 . 1 1 18 18 ALA HB3 H 1 1.310 0.020 . 1 . . . . 18 ALA HB . 15225 1 174 . 1 1 18 18 ALA C C 13 177.122 0.300 . 1 . . . . 18 ALA C . 15225 1 175 . 1 1 18 18 ALA CA C 13 52.870 0.300 . 1 . . . . 18 ALA CA . 15225 1 176 . 1 1 18 18 ALA CB C 13 18.661 0.300 . 1 . . . . 18 ALA CB . 15225 1 177 . 1 1 18 18 ALA N N 15 124.51 0.300 . 1 . . . . 18 ALA N . 15225 1 178 . 1 1 19 19 ASN H H 1 8.241 0.020 . 1 . . . . 19 ASN H . 15225 1 179 . 1 1 19 19 ASN HA H 1 4.524 0.020 . 1 . . . . 19 ASN HA . 15225 1 180 . 1 1 19 19 ASN HB2 H 1 2.723 0.020 . 1 . . . . 19 ASN HB2 . 15225 1 181 . 1 1 19 19 ASN HB3 H 1 2.723 0.020 . 1 . . . . 19 ASN HB3 . 15225 1 182 . 1 1 19 19 ASN HD21 H 1 7.423 0.020 . 1 . . . . 19 ASN HD21 . 15225 1 183 . 1 1 19 19 ASN HD22 H 1 6.764 0.020 . 1 . . . . 19 ASN HD22 . 15225 1 184 . 1 1 19 19 ASN C C 13 174.663 0.300 . 1 . . . . 19 ASN C . 15225 1 185 . 1 1 19 19 ASN CA C 13 52.817 0.300 . 1 . . . . 19 ASN CA . 15225 1 186 . 1 1 19 19 ASN CB C 13 37.745 0.300 . 1 . . . . 19 ASN CB . 15225 1 187 . 1 1 19 19 ASN N N 15 116.677 0.300 . 1 . . . . 19 ASN N . 15225 1 188 . 1 1 19 19 ASN ND2 N 15 113.147 0.300 . 1 . . . . 19 ASN ND2 . 15225 1 189 . 1 1 20 20 LEU H H 1 8.009 0.020 . 1 . . . . 20 LEU H . 15225 1 190 . 1 1 20 20 LEU HA H 1 4.150 0.020 . 1 . . . . 20 LEU HA . 15225 1 191 . 1 1 20 20 LEU HB2 H 1 1.562 0.020 . 1 . . . . 20 LEU HB2 . 15225 1 192 . 1 1 20 20 LEU HB3 H 1 1.562 0.020 . 1 . . . . 20 LEU HB3 . 15225 1 193 . 1 1 20 20 LEU HD11 H 1 0.788 0.020 . 1 . . . . 20 LEU HD1 . 15225 1 194 . 1 1 20 20 LEU HD12 H 1 0.788 0.020 . 1 . . . . 20 LEU HD1 . 15225 1 195 . 1 1 20 20 LEU HD13 H 1 0.788 0.020 . 1 . . . . 20 LEU HD1 . 15225 1 196 . 1 1 20 20 LEU HD21 H 1 0.788 0.020 . 1 . . . . 20 LEU HD2 . 15225 1 197 . 1 1 20 20 LEU HD22 H 1 0.788 0.020 . 1 . . . . 20 LEU HD2 . 15225 1 198 . 1 1 20 20 LEU HD23 H 1 0.788 0.020 . 1 . . . . 20 LEU HD2 . 15225 1 199 . 1 1 20 20 LEU HG H 1 1.328 0.020 . 1 . . . . 20 LEU HG . 15225 1 200 . 1 1 20 20 LEU C C 13 176.722 0.300 . 1 . . . . 20 LEU C . 15225 1 201 . 1 1 20 20 LEU CA C 13 55.574 0.300 . 1 . . . . 20 LEU CA . 15225 1 202 . 1 1 20 20 LEU CB C 13 41.712 0.300 . 1 . . . . 20 LEU CB . 15225 1 203 . 1 1 20 20 LEU CD1 C 13 23.060 0.300 . 1 . . . . 20 LEU CD1 . 15225 1 204 . 1 1 20 20 LEU CD2 C 13 23.060 0.300 . 1 . . . . 20 LEU CD2 . 15225 1 205 . 1 1 20 20 LEU CG C 13 26.400 0.300 . 1 . . . . 20 LEU CG . 15225 1 206 . 1 1 20 20 LEU N N 15 121.723 0.300 . 1 . . . . 20 LEU N . 15225 1 207 . 1 1 21 21 LEU H H 1 8.029 0.020 . 1 . . . . 21 LEU H . 15225 1 208 . 1 1 21 21 LEU HA H 1 4.079 0.020 . 1 . . . . 21 LEU HA . 15225 1 209 . 1 1 21 21 LEU HB2 H 1 1.526 0.020 . 1 . . . . 21 LEU HB2 . 15225 1 210 . 1 1 21 21 LEU HB3 H 1 1.526 0.020 . 1 . . . . 21 LEU HB3 . 15225 1 211 . 1 1 21 21 LEU HD11 H 1 0.836 0.020 . 1 . . . . 21 LEU HD1 . 15225 1 212 . 1 1 21 21 LEU HD12 H 1 0.836 0.020 . 1 . . . . 21 LEU HD1 . 15225 1 213 . 1 1 21 21 LEU HD13 H 1 0.836 0.020 . 1 . . . . 21 LEU HD1 . 15225 1 214 . 1 1 21 21 LEU HD21 H 1 0.836 0.020 . 1 . . . . 21 LEU HD2 . 15225 1 215 . 1 1 21 21 LEU HD22 H 1 0.836 0.020 . 1 . . . . 21 LEU HD2 . 15225 1 216 . 1 1 21 21 LEU HD23 H 1 0.836 0.020 . 1 . . . . 21 LEU HD2 . 15225 1 217 . 1 1 21 21 LEU HG H 1 1.445 0.020 . 1 . . . . 21 LEU HG . 15225 1 218 . 1 1 21 21 LEU C C 13 176.376 0.300 . 1 . . . . 21 LEU C . 15225 1 219 . 1 1 21 21 LEU CA C 13 57.343 0.300 . 1 . . . . 21 LEU CA . 15225 1 220 . 1 1 21 21 LEU CB C 13 39.104 0.300 . 1 . . . . 21 LEU CB . 15225 1 221 . 1 1 21 21 LEU CD1 C 13 26.525 0.300 . 1 . . . . 21 LEU CD1 . 15225 1 222 . 1 1 21 21 LEU CD2 C 13 26.525 0.300 . 1 . . . . 21 LEU CD2 . 15225 1 223 . 1 1 21 21 LEU CG C 13 28.308 0.300 . 1 . . . . 21 LEU CG . 15225 1 224 . 1 1 21 21 LEU N N 15 119.598 0.300 . 1 . . . . 21 LEU N . 15225 1 225 . 1 1 22 22 TRP H H 1 7.828 0.020 . 1 . . . . 22 TRP H . 15225 1 226 . 1 1 22 22 TRP HA H 1 4.524 0.020 . 1 . . . . 22 TRP HA . 15225 1 227 . 1 1 22 22 TRP HB2 H 1 3.215 0.020 . 1 . . . . 22 TRP HB2 . 15225 1 228 . 1 1 22 22 TRP HB3 H 1 3.215 0.020 . 1 . . . . 22 TRP HB3 . 15225 1 229 . 1 1 22 22 TRP HE1 H 1 10.213 0.020 . 1 . . . . 22 TRP HE1 . 15225 1 230 . 1 1 22 22 TRP C C 13 176.856 0.300 . 1 . . . . 22 TRP C . 15225 1 231 . 1 1 22 22 TRP CA C 13 56.976 0.300 . 1 . . . . 22 TRP CA . 15225 1 232 . 1 1 22 22 TRP CB C 13 28.782 0.300 . 1 . . . . 22 TRP CB . 15225 1 233 . 1 1 22 22 TRP N N 15 120.262 0.300 . 1 . . . . 22 TRP N . 15225 1 234 . 1 1 22 22 TRP NE1 N 15 130.347 0.300 . 1 . . . . 22 TRP NE1 . 15225 1 235 . 1 1 23 23 ARG H H 1 7.738 0.020 . 1 . . . . 23 ARG H . 15225 1 236 . 1 1 23 23 ARG HA H 1 4.028 0.020 . 1 . . . . 23 ARG HA . 15225 1 237 . 1 1 23 23 ARG HB2 H 1 1.940 0.020 . 1 . . . . 23 ARG HB2 . 15225 1 238 . 1 1 23 23 ARG HB3 H 1 1.940 0.020 . 1 . . . . 23 ARG HB3 . 15225 1 239 . 1 1 23 23 ARG HD2 H 1 3.158 0.020 . 1 . . . . 23 ARG HD2 . 15225 1 240 . 1 1 23 23 ARG HD3 H 1 3.158 0.020 . 1 . . . . 23 ARG HD3 . 15225 1 241 . 1 1 23 23 ARG HG2 H 1 1.579 0.020 . 1 . . . . 23 ARG HG2 . 15225 1 242 . 1 1 23 23 ARG HG3 H 1 1.558 0.020 . 1 . . . . 23 ARG HG3 . 15225 1 243 . 1 1 23 23 ARG C C 13 176.058 0.300 . 1 . . . . 23 ARG C . 15225 1 244 . 1 1 23 23 ARG CA C 13 55.722 0.300 . 1 . . . . 23 ARG CA . 15225 1 245 . 1 1 23 23 ARG CB C 13 30.321 0.300 . 1 . . . . 23 ARG CB . 15225 1 246 . 1 1 23 23 ARG CD C 13 42.691 0.300 . 1 . . . . 23 ARG CD . 15225 1 247 . 1 1 23 23 ARG CG C 13 25.714 0.300 . 1 . . . . 23 ARG CG . 15225 1 248 . 1 1 23 23 ARG N N 15 121.457 0.300 . 1 . . . . 23 ARG N . 15225 1 249 . 1 1 24 24 GLN H H 1 8.450 0.020 . 1 . . . . 24 GLN H . 15225 1 250 . 1 1 24 24 GLN HA H 1 4.185 0.020 . 1 . . . . 24 GLN HA . 15225 1 251 . 1 1 24 24 GLN HB2 H 1 1.942 0.020 . 1 . . . . 24 GLN HB2 . 15225 1 252 . 1 1 24 24 GLN HB3 H 1 1.942 0.020 . 1 . . . . 24 GLN HB3 . 15225 1 253 . 1 1 24 24 GLN HG2 H 1 2.254 0.020 . 1 . . . . 24 GLN HG2 . 15225 1 254 . 1 1 24 24 GLN HG3 H 1 2.254 0.020 . 1 . . . . 24 GLN HG3 . 15225 1 255 . 1 1 24 24 GLN C C 13 175.768 0.300 . 1 . . . . 24 GLN C . 15225 1 256 . 1 1 24 24 GLN CA C 13 56.439 0.300 . 1 . . . . 24 GLN CA . 15225 1 257 . 1 1 24 24 GLN CB C 13 29.709 0.300 . 1 . . . . 24 GLN CB . 15225 1 258 . 1 1 24 24 GLN CG C 13 35.768 0.300 . 1 . . . . 24 GLN CG . 15225 1 259 . 1 1 24 24 GLN N N 15 121.299 0.300 . 1 . . . . 24 GLN N . 15225 1 260 . 1 1 25 25 GLU H H 1 8.381 0.020 . 1 . . . . 25 GLU H . 15225 1 261 . 1 1 25 25 GLU HA H 1 4.153 0.020 . 1 . . . . 25 GLU HA . 15225 1 262 . 1 1 25 25 GLU HB2 H 1 2.023 0.020 . 1 . . . . 25 GLU HB2 . 15225 1 263 . 1 1 25 25 GLU HB3 H 1 2.023 0.020 . 1 . . . . 25 GLU HB3 . 15225 1 264 . 1 1 25 25 GLU HG2 H 1 2.187 0.020 . 1 . . . . 25 GLU HG2 . 15225 1 265 . 1 1 25 25 GLU HG3 H 1 2.187 0.020 . 1 . . . . 25 GLU HG3 . 15225 1 266 . 1 1 25 25 GLU C C 13 175.660 0.300 . 1 . . . . 25 GLU C . 15225 1 267 . 1 1 25 25 GLU CA C 13 56.291 0.300 . 1 . . . . 25 GLU CA . 15225 1 268 . 1 1 25 25 GLU CB C 13 29.592 0.300 . 1 . . . . 25 GLU CB . 15225 1 269 . 1 1 25 25 GLU CG C 13 35.848 0.300 . 1 . . . . 25 GLU CG . 15225 1 270 . 1 1 25 25 GLU N N 15 121.192 0.300 . 1 . . . . 25 GLU N . 15225 1 271 . 1 1 26 26 MET H H 1 8.226 0.020 . 1 . . . . 26 MET H . 15225 1 272 . 1 1 26 26 MET HA H 1 4.381 0.020 . 1 . . . . 26 MET HA . 15225 1 273 . 1 1 26 26 MET HB2 H 1 1.983 0.020 . 1 . . . . 26 MET HB2 . 15225 1 274 . 1 1 26 26 MET HB3 H 1 1.913 0.020 . 1 . . . . 26 MET HB3 . 15225 1 275 . 1 1 26 26 MET HE1 H 1 2.014 0.020 . 1 . . . . 26 MET HE . 15225 1 276 . 1 1 26 26 MET HE2 H 1 2.014 0.020 . 1 . . . . 26 MET HE . 15225 1 277 . 1 1 26 26 MET HE3 H 1 2.014 0.020 . 1 . . . . 26 MET HE . 15225 1 278 . 1 1 26 26 MET HG2 H 1 2.410 0.020 . 1 . . . . 26 MET HG2 . 15225 1 279 . 1 1 26 26 MET HG3 H 1 2.410 0.020 . 1 . . . . 26 MET HG3 . 15225 1 280 . 1 1 26 26 MET C C 13 176.339 0.300 . 1 . . . . 26 MET C . 15225 1 281 . 1 1 26 26 MET CA C 13 55.375 0.300 . 1 . . . . 26 MET CA . 15225 1 282 . 1 1 26 26 MET CB C 13 32.034 0.300 . 1 . . . . 26 MET CB . 15225 1 283 . 1 1 26 26 MET CE C 13 20.138 0.300 . 1 . . . . 26 MET CE . 15225 1 284 . 1 1 26 26 MET CG C 13 32.068 0.300 . 1 . . . . 26 MET CG . 15225 1 285 . 1 1 26 26 MET N N 15 120.262 0.300 . 1 . . . . 26 MET N . 15225 1 286 . 1 1 27 27 GLY H H 1 8.240 0.020 . 1 . . . . 27 GLY H . 15225 1 287 . 1 1 27 27 GLY HA2 H 1 3.888 0.020 . 1 . . . . 27 GLY HA2 . 15225 1 288 . 1 1 27 27 GLY HA3 H 1 3.888 0.020 . 1 . . . . 27 GLY HA3 . 15225 1 289 . 1 1 27 27 GLY C C 13 174.033 0.300 . 1 . . . . 27 GLY C . 15225 1 290 . 1 1 27 27 GLY CA C 13 45.025 0.300 . 1 . . . . 27 GLY CA . 15225 1 291 . 1 1 27 27 GLY N N 15 109.304 0.300 . 1 . . . . 27 GLY N . 15225 1 292 . 1 1 28 28 GLY H H 1 8.174 0.020 . 1 . . . . 28 GLY H . 15225 1 293 . 1 1 28 28 GLY HA2 H 1 3.876 0.020 . 1 . . . . 28 GLY HA2 . 15225 1 294 . 1 1 28 28 GLY HA3 H 1 3.876 0.020 . 1 . . . . 28 GLY HA3 . 15225 1 295 . 1 1 28 28 GLY C C 13 176.346 0.300 . 1 . . . . 28 GLY C . 15225 1 296 . 1 1 28 28 GLY CA C 13 44.859 0.300 . 1 . . . . 28 GLY CA . 15225 1 297 . 1 1 28 28 GLY N N 15 108.175 0.300 . 1 . . . . 28 GLY N . 15225 1 298 . 1 1 29 29 ASN H H 1 8.281 0.020 . 1 . . . . 29 ASN H . 15225 1 299 . 1 1 29 29 ASN HA H 1 4.448 0.020 . 1 . . . . 29 ASN HA . 15225 1 300 . 1 1 29 29 ASN HB2 H 1 2.726 0.020 . 1 . . . . 29 ASN HB2 . 15225 1 301 . 1 1 29 29 ASN HB3 H 1 2.646 0.020 . 1 . . . . 29 ASN HB3 . 15225 1 302 . 1 1 29 29 ASN HD21 H 1 7.519 0.020 . 1 . . . . 29 ASN HD21 . 15225 1 303 . 1 1 29 29 ASN HD22 H 1 6.840 0.020 . 1 . . . . 29 ASN HD22 . 15225 1 304 . 1 1 29 29 ASN C C 13 174.767 0.300 . 1 . . . . 29 ASN C . 15225 1 305 . 1 1 29 29 ASN CA C 13 52.747 0.300 . 1 . . . . 29 ASN CA . 15225 1 306 . 1 1 29 29 ASN CB C 13 38.371 0.300 . 1 . . . . 29 ASN CB . 15225 1 307 . 1 1 29 29 ASN N N 15 118.535 0.300 . 1 . . . . 29 ASN N . 15225 1 308 . 1 1 29 29 ASN ND2 N 15 112.883 0.300 . 1 . . . . 29 ASN ND2 . 15225 1 309 . 1 1 30 30 ILE H H 1 8.034 0.020 . 1 . . . . 30 ILE H . 15225 1 310 . 1 1 30 30 ILE HA H 1 4.100 0.020 . 1 . . . . 30 ILE HA . 15225 1 311 . 1 1 30 30 ILE HB H 1 1.813 0.020 . 1 . . . . 30 ILE HB . 15225 1 312 . 1 1 30 30 ILE HD11 H 1 0.809 0.020 . 1 . . . . 30 ILE HD1 . 15225 1 313 . 1 1 30 30 ILE HD12 H 1 0.809 0.020 . 1 . . . . 30 ILE HD1 . 15225 1 314 . 1 1 30 30 ILE HD13 H 1 0.809 0.020 . 1 . . . . 30 ILE HD1 . 15225 1 315 . 1 1 30 30 ILE HG12 H 1 1.365 0.020 . 1 . . . . 30 ILE HG12 . 15225 1 316 . 1 1 30 30 ILE HG13 H 1 1.365 0.020 . 1 . . . . 30 ILE HG13 . 15225 1 317 . 1 1 30 30 ILE HG21 H 1 1.100 0.020 . 1 . . . . 30 ILE HG2 . 15225 1 318 . 1 1 30 30 ILE HG22 H 1 1.100 0.020 . 1 . . . . 30 ILE HG2 . 15225 1 319 . 1 1 30 30 ILE HG23 H 1 1.100 0.020 . 1 . . . . 30 ILE HG2 . 15225 1 320 . 1 1 30 30 ILE C C 13 175.786 0.300 . 1 . . . . 30 ILE C . 15225 1 321 . 1 1 30 30 ILE CA C 13 60.589 0.300 . 1 . . . . 30 ILE CA . 15225 1 322 . 1 1 30 30 ILE CB C 13 38.165 0.300 . 1 . . . . 30 ILE CB . 15225 1 323 . 1 1 30 30 ILE CD1 C 13 12.372 0.300 . 1 . . . . 30 ILE CD1 . 15225 1 324 . 1 1 30 30 ILE CG1 C 13 26.739 0.300 . 1 . . . . 30 ILE CG1 . 15225 1 325 . 1 1 30 30 ILE CG2 C 13 16.979 0.300 . 1 . . . . 30 ILE CG2 . 15225 1 326 . 1 1 30 30 ILE N N 15 120.527 0.300 . 1 . . . . 30 ILE N . 15225 1 327 . 1 1 31 31 THR H H 1 8.220 0.020 . 1 . . . . 31 THR H . 15225 1 328 . 1 1 31 31 THR HA H 1 4.261 0.020 . 1 . . . . 31 THR HA . 15225 1 329 . 1 1 31 31 THR HB H 1 4.140 0.020 . 1 . . . . 31 THR HB . 15225 1 330 . 1 1 31 31 THR HG21 H 1 1.251 0.020 . 1 . . . . 31 THR HG2 . 15225 1 331 . 1 1 31 31 THR HG22 H 1 1.251 0.020 . 1 . . . . 31 THR HG2 . 15225 1 332 . 1 1 31 31 THR HG23 H 1 1.251 0.020 . 1 . . . . 31 THR HG2 . 15225 1 333 . 1 1 31 31 THR C C 13 174.796 0.300 . 1 . . . . 31 THR C . 15225 1 334 . 1 1 31 31 THR CA C 13 61.524 0.300 . 1 . . . . 31 THR CA . 15225 1 335 . 1 1 31 31 THR CB C 13 69.380 0.300 . 1 . . . . 31 THR CB . 15225 1 336 . 1 1 31 31 THR CG2 C 13 19.668 0.300 . 1 . . . . 31 THR CG2 . 15225 1 337 . 1 1 31 31 THR N N 15 118.801 0.300 . 1 . . . . 31 THR N . 15225 1 338 . 1 1 32 32 ARG H H 1 8.289 0.020 . 1 . . . . 32 ARG H . 15225 1 339 . 1 1 32 32 ARG HA H 1 4.325 0.020 . 1 . . . . 32 ARG HA . 15225 1 340 . 1 1 32 32 ARG HB2 H 1 1.688 0.020 . 1 . . . . 32 ARG HB2 . 15225 1 341 . 1 1 32 32 ARG HB3 H 1 1.688 0.020 . 1 . . . . 32 ARG HB3 . 15225 1 342 . 1 1 32 32 ARG HD2 H 1 3.080 0.020 . 1 . . . . 32 ARG HD2 . 15225 1 343 . 1 1 32 32 ARG HD3 H 1 3.080 0.020 . 1 . . . . 32 ARG HD3 . 15225 1 344 . 1 1 32 32 ARG HG2 H 1 1.489 0.020 . 1 . . . . 32 ARG HG2 . 15225 1 345 . 1 1 32 32 ARG HG3 H 1 1.489 0.020 . 1 . . . . 32 ARG HG3 . 15225 1 346 . 1 1 32 32 ARG C C 13 175.125 0.300 . 1 . . . . 32 ARG C . 15225 1 347 . 1 1 32 32 ARG CA C 13 55.525 0.300 . 1 . . . . 32 ARG CA . 15225 1 348 . 1 1 32 32 ARG CB C 13 30.241 0.300 . 1 . . . . 32 ARG CB . 15225 1 349 . 1 1 32 32 ARG CD C 13 42.967 0.300 . 1 . . . . 32 ARG CD . 15225 1 350 . 1 1 32 32 ARG CG C 13 26.580 0.300 . 1 . . . . 32 ARG CG . 15225 1 351 . 1 1 32 32 ARG N N 15 124.313 0.300 . 1 . . . . 32 ARG N . 15225 1 352 . 1 1 33 33 VAL H H 1 8.194 0.020 . 1 . . . . 33 VAL H . 15225 1 353 . 1 1 33 33 VAL HA H 1 4.003 0.020 . 1 . . . . 33 VAL HA . 15225 1 354 . 1 1 33 33 VAL HB H 1 1.756 0.020 . 1 . . . . 33 VAL HB . 15225 1 355 . 1 1 33 33 VAL HG11 H 1 0.814 0.020 . 1 . . . . 33 VAL HG1 . 15225 1 356 . 1 1 33 33 VAL HG12 H 1 0.814 0.020 . 1 . . . . 33 VAL HG1 . 15225 1 357 . 1 1 33 33 VAL HG13 H 1 0.814 0.020 . 1 . . . . 33 VAL HG1 . 15225 1 358 . 1 1 33 33 VAL HG21 H 1 0.814 0.020 . 1 . . . . 33 VAL HG2 . 15225 1 359 . 1 1 33 33 VAL HG22 H 1 0.814 0.020 . 1 . . . . 33 VAL HG2 . 15225 1 360 . 1 1 33 33 VAL HG23 H 1 0.814 0.020 . 1 . . . . 33 VAL HG2 . 15225 1 361 . 1 1 33 33 VAL C C 13 175.290 0.300 . 1 . . . . 33 VAL C . 15225 1 362 . 1 1 33 33 VAL CA C 13 61.936 0.300 . 1 . . . . 33 VAL CA . 15225 1 363 . 1 1 33 33 VAL CB C 13 32.265 0.300 . 1 . . . . 33 VAL CB . 15225 1 364 . 1 1 33 33 VAL CG1 C 13 20.194 0.300 . 1 . . . . 33 VAL CG1 . 15225 1 365 . 1 1 33 33 VAL CG2 C 13 20.194 0.300 . 1 . . . . 33 VAL CG2 . 15225 1 366 . 1 1 33 33 VAL N N 15 122.124 0.300 . 1 . . . . 33 VAL N . 15225 1 367 . 1 1 34 34 GLU H H 1 8.444 0.020 . 1 . . . . 34 GLU H . 15225 1 368 . 1 1 34 34 GLU HA H 1 4.106 0.020 . 1 . . . . 34 GLU HA . 15225 1 369 . 1 1 34 34 GLU HB2 H 1 2.191 0.020 . 1 . . . . 34 GLU HB2 . 15225 1 370 . 1 1 34 34 GLU HB3 H 1 2.191 0.020 . 1 . . . . 34 GLU HB3 . 15225 1 371 . 1 1 34 34 GLU HG2 H 1 2.532 0.020 . 1 . . . . 34 GLU HG2 . 15225 1 372 . 1 1 34 34 GLU HG3 H 1 2.532 0.020 . 1 . . . . 34 GLU HG3 . 15225 1 373 . 1 1 34 34 GLU C C 13 175.992 0.300 . 1 . . . . 34 GLU C . 15225 1 374 . 1 1 34 34 GLU CA C 13 55.897 0.300 . 1 . . . . 34 GLU CA . 15225 1 375 . 1 1 34 34 GLU CB C 13 29.433 0.300 . 1 . . . . 34 GLU CB . 15225 1 376 . 1 1 34 34 GLU CG C 13 35.567 0.300 . 1 . . . . 34 GLU CG . 15225 1 377 . 1 1 34 34 GLU N N 15 124.512 0.300 . 1 . . . . 34 GLU N . 15225 1 378 . 1 1 35 35 SER H H 1 8.263 0.020 . 1 . . . . 35 SER H . 15225 1 379 . 1 1 35 35 SER HA H 1 4.588 0.020 . 1 . . . . 35 SER HA . 15225 1 380 . 1 1 35 35 SER HB2 H 1 3.799 0.020 . 1 . . . . 35 SER HB2 . 15225 1 381 . 1 1 35 35 SER HB3 H 1 3.799 0.020 . 1 . . . . 35 SER HB3 . 15225 1 382 . 1 1 35 35 SER C C 13 176.206 0.300 . 1 . . . . 35 SER C . 15225 1 383 . 1 1 35 35 SER CA C 13 58.181 0.300 . 1 . . . . 35 SER CA . 15225 1 384 . 1 1 35 35 SER CB C 13 63.186 0.300 . 1 . . . . 35 SER CB . 15225 1 385 . 1 1 35 35 SER N N 15 116.420 0.300 . 1 . . . . 35 SER N . 15225 1 386 . 1 1 36 36 GLU H H 1 8.391 0.020 . 1 . . . . 36 GLU H . 15225 1 387 . 1 1 36 36 GLU HA H 1 4.188 0.020 . 1 . . . . 36 GLU HA . 15225 1 388 . 1 1 36 36 GLU HB2 H 1 1.942 0.020 . 1 . . . . 36 GLU HB2 . 15225 1 389 . 1 1 36 36 GLU HB3 H 1 1.942 0.020 . 1 . . . . 36 GLU HB3 . 15225 1 390 . 1 1 36 36 GLU HG2 H 1 2.177 0.020 . 1 . . . . 36 GLU HG2 . 15225 1 391 . 1 1 36 36 GLU HG3 H 1 2.177 0.020 . 1 . . . . 36 GLU HG3 . 15225 1 392 . 1 1 36 36 GLU C C 13 175.395 0.300 . 1 . . . . 36 GLU C . 15225 1 393 . 1 1 36 36 GLU CA C 13 56.472 0.300 . 1 . . . . 36 GLU CA . 15225 1 394 . 1 1 36 36 GLU CB C 13 29.542 0.300 . 1 . . . . 36 GLU CB . 15225 1 395 . 1 1 36 36 GLU CG C 13 35.849 0.300 . 1 . . . . 36 GLU CG . 15225 1 396 . 1 1 36 36 GLU N N 15 122.254 0.300 . 1 . . . . 36 GLU N . 15225 1 397 . 1 1 37 37 ASN H H 1 8.332 0.020 . 1 . . . . 37 ASN H . 15225 1 398 . 1 1 37 37 ASN HA H 1 4.409 0.020 . 1 . . . . 37 ASN HA . 15225 1 399 . 1 1 37 37 ASN HB2 H 1 2.748 0.020 . 1 . . . . 37 ASN HB2 . 15225 1 400 . 1 1 37 37 ASN HB3 H 1 2.748 0.020 . 1 . . . . 37 ASN HB3 . 15225 1 401 . 1 1 37 37 ASN HD21 H 1 7.532 0.020 . 1 . . . . 37 ASN HD21 . 15225 1 402 . 1 1 37 37 ASN HD22 H 1 6.855 0.020 . 1 . . . . 37 ASN HD22 . 15225 1 403 . 1 1 37 37 ASN C C 13 175.262 0.300 . 1 . . . . 37 ASN C . 15225 1 404 . 1 1 37 37 ASN CA C 13 52.452 0.300 . 1 . . . . 37 ASN CA . 15225 1 405 . 1 1 37 37 ASN CB C 13 38.108 0.300 . 1 . . . . 37 ASN CB . 15225 1 406 . 1 1 37 37 ASN N N 15 119.357 0.300 . 1 . . . . 37 ASN N . 15225 1 407 . 1 1 37 37 ASN ND2 N 15 112.883 0.300 . 1 . . . . 37 ASN ND2 . 15225 1 408 . 1 1 38 38 LYS H H 1 8.133 0.020 . 1 . . . . 38 LYS H . 15225 1 409 . 1 1 38 38 LYS HA H 1 4.249 0.020 . 1 . . . . 38 LYS HA . 15225 1 410 . 1 1 38 38 LYS HB2 H 1 1.719 0.020 . 1 . . . . 38 LYS HB2 . 15225 1 411 . 1 1 38 38 LYS HB3 H 1 1.719 0.020 . 1 . . . . 38 LYS HB3 . 15225 1 412 . 1 1 38 38 LYS HD2 H 1 1.627 0.020 . 1 . . . . 38 LYS HD2 . 15225 1 413 . 1 1 38 38 LYS HD3 H 1 1.627 0.020 . 1 . . . . 38 LYS HD3 . 15225 1 414 . 1 1 38 38 LYS HE2 H 1 2.907 0.020 . 1 . . . . 38 LYS HE2 . 15225 1 415 . 1 1 38 38 LYS HE3 H 1 2.907 0.020 . 1 . . . . 38 LYS HE3 . 15225 1 416 . 1 1 38 38 LYS HG2 H 1 1.308 0.020 . 1 . . . . 38 LYS HG2 . 15225 1 417 . 1 1 38 38 LYS HG3 H 1 1.308 0.020 . 1 . . . . 38 LYS HG3 . 15225 1 418 . 1 1 38 38 LYS C C 13 175.461 0.300 . 1 . . . . 38 LYS C . 15225 1 419 . 1 1 38 38 LYS CA C 13 55.750 0.300 . 1 . . . . 38 LYS CA . 15225 1 420 . 1 1 38 38 LYS CB C 13 32.377 0.300 . 1 . . . . 38 LYS CB . 15225 1 421 . 1 1 38 38 LYS CD C 13 28.225 0.300 . 1 . . . . 38 LYS CD . 15225 1 422 . 1 1 38 38 LYS CE C 13 42.404 0.300 . 1 . . . . 38 LYS CE . 15225 1 423 . 1 1 38 38 LYS CG C 13 23.856 0.300 . 1 . . . . 38 LYS CG . 15225 1 424 . 1 1 38 38 LYS N N 15 121.855 0.300 . 1 . . . . 38 LYS N . 15225 1 425 . 1 1 39 39 VAL H H 1 8.089 0.020 . 1 . . . . 39 VAL H . 15225 1 426 . 1 1 39 39 VAL HA H 1 4.024 0.020 . 1 . . . . 39 VAL HA . 15225 1 427 . 1 1 39 39 VAL HB H 1 1.730 0.020 . 1 . . . . 39 VAL HB . 15225 1 428 . 1 1 39 39 VAL HG11 H 1 0.813 0.020 . 1 . . . . 39 VAL HG1 . 15225 1 429 . 1 1 39 39 VAL HG12 H 1 0.813 0.020 . 1 . . . . 39 VAL HG1 . 15225 1 430 . 1 1 39 39 VAL HG13 H 1 0.813 0.020 . 1 . . . . 39 VAL HG1 . 15225 1 431 . 1 1 39 39 VAL HG21 H 1 0.813 0.020 . 1 . . . . 39 VAL HG2 . 15225 1 432 . 1 1 39 39 VAL HG22 H 1 0.813 0.020 . 1 . . . . 39 VAL HG2 . 15225 1 433 . 1 1 39 39 VAL HG23 H 1 0.813 0.020 . 1 . . . . 39 VAL HG2 . 15225 1 434 . 1 1 39 39 VAL C C 13 175.249 0.300 . 1 . . . . 39 VAL C . 15225 1 435 . 1 1 39 39 VAL CA C 13 61.840 0.300 . 1 . . . . 39 VAL CA . 15225 1 436 . 1 1 39 39 VAL CB C 13 32.002 0.300 . 1 . . . . 39 VAL CB . 15225 1 437 . 1 1 39 39 VAL CG1 C 13 20.070 0.300 . 1 . . . . 39 VAL CG1 . 15225 1 438 . 1 1 39 39 VAL CG2 C 13 20.070 0.300 . 1 . . . . 39 VAL CG2 . 15225 1 439 . 1 1 39 39 VAL N N 15 122.121 0.300 . 1 . . . . 39 VAL N . 15225 1 440 . 1 1 40 40 VAL H H 1 8.219 0.020 . 1 . . . . 40 VAL H . 15225 1 441 . 1 1 40 40 VAL HA H 1 4.018 0.020 . 1 . . . . 40 VAL HA . 15225 1 442 . 1 1 40 40 VAL HB H 1 1.904 0.020 . 1 . . . . 40 VAL HB . 15225 1 443 . 1 1 40 40 VAL HG11 H 1 0.787 0.020 . 1 . . . . 40 VAL HG1 . 15225 1 444 . 1 1 40 40 VAL HG12 H 1 0.787 0.020 . 1 . . . . 40 VAL HG1 . 15225 1 445 . 1 1 40 40 VAL HG13 H 1 0.787 0.020 . 1 . . . . 40 VAL HG1 . 15225 1 446 . 1 1 40 40 VAL HG21 H 1 0.796 0.020 . 1 . . . . 40 VAL HG2 . 15225 1 447 . 1 1 40 40 VAL HG22 H 1 0.796 0.020 . 1 . . . . 40 VAL HG2 . 15225 1 448 . 1 1 40 40 VAL HG23 H 1 0.796 0.020 . 1 . . . . 40 VAL HG2 . 15225 1 449 . 1 1 40 40 VAL C C 13 176.149 0.300 . 1 . . . . 40 VAL C . 15225 1 450 . 1 1 40 40 VAL CA C 13 62.379 0.300 . 1 . . . . 40 VAL CA . 15225 1 451 . 1 1 40 40 VAL CB C 13 30.294 0.300 . 1 . . . . 40 VAL CB . 15225 1 452 . 1 1 40 40 VAL CG1 C 13 19.436 0.300 . 1 . . . . 40 VAL CG1 . 15225 1 453 . 1 1 40 40 VAL CG2 C 13 19.436 0.300 . 1 . . . . 40 VAL CG2 . 15225 1 454 . 1 1 40 40 VAL N N 15 125.575 0.300 . 1 . . . . 40 VAL N . 15225 1 455 . 1 1 41 41 ILE H H 1 8.274 0.020 . 1 . . . . 41 ILE H . 15225 1 456 . 1 1 41 41 ILE HA H 1 4.115 0.020 . 1 . . . . 41 ILE HA . 15225 1 457 . 1 1 41 41 ILE HB H 1 1.773 0.020 . 1 . . . . 41 ILE HB . 15225 1 458 . 1 1 41 41 ILE HD11 H 1 0.789 0.020 . 1 . . . . 41 ILE HD1 . 15225 1 459 . 1 1 41 41 ILE HD12 H 1 0.789 0.020 . 1 . . . . 41 ILE HD1 . 15225 1 460 . 1 1 41 41 ILE HD13 H 1 0.789 0.020 . 1 . . . . 41 ILE HD1 . 15225 1 461 . 1 1 41 41 ILE HG12 H 1 1.378 0.020 . 1 . . . . 41 ILE HG12 . 15225 1 462 . 1 1 41 41 ILE HG13 H 1 1.126 0.020 . 1 . . . . 41 ILE HG13 . 15225 1 463 . 1 1 41 41 ILE HG21 H 1 0.808 0.020 . 1 . . . . 41 ILE HG2 . 15225 1 464 . 1 1 41 41 ILE HG22 H 1 0.808 0.020 . 1 . . . . 41 ILE HG2 . 15225 1 465 . 1 1 41 41 ILE HG23 H 1 0.808 0.020 . 1 . . . . 41 ILE HG2 . 15225 1 466 . 1 1 41 41 ILE C C 13 175.262 0.300 . 1 . . . . 41 ILE C . 15225 1 467 . 1 1 41 41 ILE CA C 13 60.093 0.300 . 1 . . . . 41 ILE CA . 15225 1 468 . 1 1 41 41 ILE CB C 13 37.716 0.300 . 1 . . . . 41 ILE CB . 15225 1 469 . 1 1 41 41 ILE CD1 C 13 11.647 0.300 . 1 . . . . 41 ILE CD1 . 15225 1 470 . 1 1 41 41 ILE CG1 C 13 27.045 0.300 . 1 . . . . 41 ILE CG1 . 15225 1 471 . 1 1 41 41 ILE CG2 C 13 16.512 0.300 . 1 . . . . 41 ILE CG2 . 15225 1 472 . 1 1 41 41 ILE N N 15 126.370 0.300 . 1 . . . . 41 ILE N . 15225 1 473 . 1 1 42 42 LEU H H 1 8.329 0.020 . 1 . . . . 42 LEU H . 15225 1 474 . 1 1 42 42 LEU HA H 1 4.338 0.020 . 1 . . . . 42 LEU HA . 15225 1 475 . 1 1 42 42 LEU HB2 H 1 1.531 0.020 . 1 . . . . 42 LEU HB2 . 15225 1 476 . 1 1 42 42 LEU HB3 H 1 1.531 0.020 . 1 . . . . 42 LEU HB3 . 15225 1 477 . 1 1 42 42 LEU HD11 H 1 0.808 0.020 . 1 . . . . 42 LEU HD1 . 15225 1 478 . 1 1 42 42 LEU HD12 H 1 0.808 0.020 . 1 . . . . 42 LEU HD1 . 15225 1 479 . 1 1 42 42 LEU HD13 H 1 0.808 0.020 . 1 . . . . 42 LEU HD1 . 15225 1 480 . 1 1 42 42 LEU HD21 H 1 0.809 0.020 . 1 . . . . 42 LEU HD2 . 15225 1 481 . 1 1 42 42 LEU HD22 H 1 0.809 0.020 . 1 . . . . 42 LEU HD2 . 15225 1 482 . 1 1 42 42 LEU HD23 H 1 0.809 0.020 . 1 . . . . 42 LEU HD2 . 15225 1 483 . 1 1 42 42 LEU HG H 1 1.316 0.020 . 1 . . . . 42 LEU HG . 15225 1 484 . 1 1 42 42 LEU C C 13 176.324 0.300 . 1 . . . . 42 LEU C . 15225 1 485 . 1 1 42 42 LEU CA C 13 54.262 0.300 . 1 . . . . 42 LEU CA . 15225 1 486 . 1 1 42 42 LEU CB C 13 42.217 0.300 . 1 . . . . 42 LEU CB . 15225 1 487 . 1 1 42 42 LEU CD1 C 13 22.548 0.300 . 1 . . . . 42 LEU CD1 . 15225 1 488 . 1 1 42 42 LEU CD2 C 13 22.548 0.300 . 1 . . . . 42 LEU CD2 . 15225 1 489 . 1 1 42 42 LEU CG C 13 26.374 0.300 . 1 . . . . 42 LEU CG . 15225 1 490 . 1 1 42 42 LEU N N 15 127.434 0.300 . 1 . . . . 42 LEU N . 15225 1 491 . 1 1 43 43 ASP H H 1 8.241 0.020 . 1 . . . . 43 ASP H . 15225 1 492 . 1 1 43 43 ASP HA H 1 4.468 0.020 . 1 . . . . 43 ASP HA . 15225 1 493 . 1 1 43 43 ASP HB2 H 1 2.532 0.020 . 1 . . . . 43 ASP HB2 . 15225 1 494 . 1 1 43 43 ASP HB3 H 1 2.532 0.020 . 1 . . . . 43 ASP HB3 . 15225 1 495 . 1 1 43 43 ASP C C 13 175.344 0.300 . 1 . . . . 43 ASP C . 15225 1 496 . 1 1 43 43 ASP CA C 13 53.862 0.300 . 1 . . . . 43 ASP CA . 15225 1 497 . 1 1 43 43 ASP CB C 13 40.564 0.300 . 1 . . . . 43 ASP CB . 15225 1 498 . 1 1 43 43 ASP N N 15 121.536 0.300 . 1 . . . . 43 ASP N . 15225 1 499 . 1 1 44 44 SER H H 1 8.025 0.020 . 1 . . . . 44 SER H . 15225 1 500 . 1 1 44 44 SER HA H 1 4.302 0.020 . 1 . . . . 44 SER HA . 15225 1 501 . 1 1 44 44 SER HB2 H 1 3.751 0.020 . 1 . . . . 44 SER HB2 . 15225 1 502 . 1 1 44 44 SER HB3 H 1 3.751 0.020 . 1 . . . . 44 SER HB3 . 15225 1 503 . 1 1 44 44 SER C C 13 172.368 0.300 . 1 . . . . 44 SER C . 15225 1 504 . 1 1 44 44 SER CA C 13 57.581 0.300 . 1 . . . . 44 SER CA . 15225 1 505 . 1 1 44 44 SER CB C 13 63.402 0.300 . 1 . . . . 44 SER CB . 15225 1 506 . 1 1 44 44 SER N N 15 115.215 0.300 . 1 . . . . 44 SER N . 15225 1 507 . 1 1 45 45 PHE H H 1 8.131 0.020 . 1 . . . . 45 PHE H . 15225 1 508 . 1 1 45 45 PHE HA H 1 4.531 0.020 . 1 . . . . 45 PHE HA . 15225 1 509 . 1 1 45 45 PHE HB2 H 1 2.817 0.020 . 1 . . . . 45 PHE HB2 . 15225 1 510 . 1 1 45 45 PHE HB3 H 1 2.817 0.020 . 1 . . . . 45 PHE HB3 . 15225 1 511 . 1 1 45 45 PHE C C 13 173.602 0.300 . 1 . . . . 45 PHE C . 15225 1 512 . 1 1 45 45 PHE CA C 13 57.550 0.300 . 1 . . . . 45 PHE CA . 15225 1 513 . 1 1 45 45 PHE CB C 13 38.535 0.300 . 1 . . . . 45 PHE CB . 15225 1 514 . 1 1 45 45 PHE N N 15 122.050 0.300 . 1 . . . . 45 PHE N . 15225 1 515 . 1 1 46 46 ASP H H 1 8.097 0.020 . 1 . . . . 46 ASP H . 15225 1 516 . 1 1 46 46 ASP HA H 1 4.823 0.020 . 1 . . . . 46 ASP HA . 15225 1 517 . 1 1 46 46 ASP HB2 H 1 2.612 0.020 . 1 . . . . 46 ASP HB2 . 15225 1 518 . 1 1 46 46 ASP HB3 H 1 2.612 0.020 . 1 . . . . 46 ASP HB3 . 15225 1 519 . 1 1 46 46 ASP CA C 13 50.541 0.300 . 1 . . . . 46 ASP CA . 15225 1 520 . 1 1 46 46 ASP CB C 13 40.994 0.300 . 1 . . . . 46 ASP CB . 15225 1 521 . 1 1 46 46 ASP N N 15 123.779 0.300 . 1 . . . . 46 ASP N . 15225 1 522 . 1 1 47 47 PRO HA H 1 4.255 0.020 . 1 . . . . 47 PRO HA . 15225 1 523 . 1 1 47 47 PRO HB2 H 1 2.476 0.020 . 1 . . . . 47 PRO HB2 . 15225 1 524 . 1 1 47 47 PRO HB3 H 1 2.476 0.020 . 1 . . . . 47 PRO HB3 . 15225 1 525 . 1 1 47 47 PRO HD2 H 1 3.441 0.020 . 1 . . . . 47 PRO HD2 . 15225 1 526 . 1 1 47 47 PRO HD3 H 1 3.441 0.020 . 1 . . . . 47 PRO HD3 . 15225 1 527 . 1 1 47 47 PRO HG2 H 1 1.878 0.020 . 1 . . . . 47 PRO HG2 . 15225 1 528 . 1 1 47 47 PRO HG3 H 1 1.878 0.020 . 1 . . . . 47 PRO HG3 . 15225 1 529 . 1 1 47 47 PRO C C 13 176.324 0.300 . 1 . . . . 47 PRO C . 15225 1 530 . 1 1 47 47 PRO CA C 13 63.052 0.300 . 1 . . . . 47 PRO CA . 15225 1 531 . 1 1 47 47 PRO CB C 13 31.719 0.300 . 1 . . . . 47 PRO CB . 15225 1 532 . 1 1 47 47 PRO CD C 13 53.008 0.300 . 1 . . . . 47 PRO CD . 15225 1 533 . 1 1 47 47 PRO CG C 13 26.497 0.300 . 1 . . . . 47 PRO CG . 15225 1 534 . 1 1 48 48 LEU H H 1 8.256 0.020 . 1 . . . . 48 LEU H . 15225 1 535 . 1 1 48 48 LEU HA H 1 4.202 0.020 . 1 . . . . 48 LEU HA . 15225 1 536 . 1 1 48 48 LEU HB2 H 1 2.005 0.020 . 1 . . . . 48 LEU HB2 . 15225 1 537 . 1 1 48 48 LEU HB3 H 1 2.005 0.020 . 1 . . . . 48 LEU HB3 . 15225 1 538 . 1 1 48 48 LEU HD11 H 1 0.814 0.020 . 1 . . . . 48 LEU HD1 . 15225 1 539 . 1 1 48 48 LEU HD12 H 1 0.814 0.020 . 1 . . . . 48 LEU HD1 . 15225 1 540 . 1 1 48 48 LEU HD13 H 1 0.814 0.020 . 1 . . . . 48 LEU HD1 . 15225 1 541 . 1 1 48 48 LEU HD21 H 1 0.814 0.020 . 1 . . . . 48 LEU HD2 . 15225 1 542 . 1 1 48 48 LEU HD22 H 1 0.814 0.020 . 1 . . . . 48 LEU HD2 . 15225 1 543 . 1 1 48 48 LEU HD23 H 1 0.814 0.020 . 1 . . . . 48 LEU HD2 . 15225 1 544 . 1 1 48 48 LEU HG H 1 1.533 0.020 . 1 . . . . 48 LEU HG . 15225 1 545 . 1 1 48 48 LEU C C 13 176.754 0.300 . 1 . . . . 48 LEU C . 15225 1 546 . 1 1 48 48 LEU CA C 13 55.363 0.300 . 1 . . . . 48 LEU CA . 15225 1 547 . 1 1 48 48 LEU CB C 13 41.138 0.300 . 1 . . . . 48 LEU CB . 15225 1 548 . 1 1 48 48 LEU CD1 C 13 23.972 0.300 . 1 . . . . 48 LEU CD1 . 15225 1 549 . 1 1 48 48 LEU CD2 C 13 23.972 0.300 . 1 . . . . 48 LEU CD2 . 15225 1 550 . 1 1 48 48 LEU CG C 13 26.264 0.300 . 1 . . . . 48 LEU CG . 15225 1 551 . 1 1 48 48 LEU N N 15 120.727 0.300 . 1 . . . . 48 LEU N . 15225 1 552 . 1 1 49 49 VAL H H 1 7.963 0.020 . 1 . . . . 49 VAL H . 15225 1 553 . 1 1 49 49 VAL HA H 1 3.944 0.020 . 1 . . . . 49 VAL HA . 15225 1 554 . 1 1 49 49 VAL HB H 1 1.990 0.020 . 1 . . . . 49 VAL HB . 15225 1 555 . 1 1 49 49 VAL HG11 H 1 0.843 0.020 . 1 . . . . 49 VAL HG1 . 15225 1 556 . 1 1 49 49 VAL HG12 H 1 0.843 0.020 . 1 . . . . 49 VAL HG1 . 15225 1 557 . 1 1 49 49 VAL HG13 H 1 0.843 0.020 . 1 . . . . 49 VAL HG1 . 15225 1 558 . 1 1 49 49 VAL HG21 H 1 0.843 0.020 . 1 . . . . 49 VAL HG2 . 15225 1 559 . 1 1 49 49 VAL HG22 H 1 0.843 0.020 . 1 . . . . 49 VAL HG2 . 15225 1 560 . 1 1 49 49 VAL HG23 H 1 0.843 0.020 . 1 . . . . 49 VAL HG2 . 15225 1 561 . 1 1 49 49 VAL C C 13 174.979 0.300 . 1 . . . . 49 VAL C . 15225 1 562 . 1 1 49 49 VAL CA C 13 61.803 0.300 . 1 . . . . 49 VAL CA . 15225 1 563 . 1 1 49 49 VAL CB C 13 32.298 0.300 . 1 . . . . 49 VAL CB . 15225 1 564 . 1 1 49 49 VAL CG1 C 13 19.618 0.300 . 1 . . . . 49 VAL CG1 . 15225 1 565 . 1 1 49 49 VAL CG2 C 13 19.618 0.300 . 1 . . . . 49 VAL CG2 . 15225 1 566 . 1 1 49 49 VAL N N 15 120.992 0.300 . 1 . . . . 49 VAL N . 15225 1 567 . 1 1 50 50 ALA H H 1 8.164 0.020 . 1 . . . . 50 ALA H . 15225 1 568 . 1 1 50 50 ALA HA H 1 4.253 0.020 . 1 . . . . 50 ALA HA . 15225 1 569 . 1 1 50 50 ALA HB1 H 1 1.283 0.020 . 1 . . . . 50 ALA HB . 15225 1 570 . 1 1 50 50 ALA HB2 H 1 1.283 0.020 . 1 . . . . 50 ALA HB . 15225 1 571 . 1 1 50 50 ALA HB3 H 1 1.283 0.020 . 1 . . . . 50 ALA HB . 15225 1 572 . 1 1 50 50 ALA C C 13 176.779 0.300 . 1 . . . . 50 ALA C . 15225 1 573 . 1 1 50 50 ALA CA C 13 51.994 0.300 . 1 . . . . 50 ALA CA . 15225 1 574 . 1 1 50 50 ALA CB C 13 18.656 0.300 . 1 . . . . 50 ALA CB . 15225 1 575 . 1 1 50 50 ALA N N 15 127.442 0.300 . 1 . . . . 50 ALA N . 15225 1 576 . 1 1 51 51 GLU H H 1 7.684 0.020 . 1 . . . . 51 GLU H . 15225 1 577 . 1 1 51 51 GLU HA H 1 4.359 0.020 . 1 . . . . 51 GLU HA . 15225 1 578 . 1 1 51 51 GLU HB2 H 1 2.187 0.020 . 1 . . . . 51 GLU HB2 . 15225 1 579 . 1 1 51 51 GLU HB3 H 1 2.187 0.020 . 1 . . . . 51 GLU HB3 . 15225 1 580 . 1 1 51 51 GLU HG2 H 1 2.187 0.020 . 1 . . . . 51 GLU HG2 . 15225 1 581 . 1 1 51 51 GLU HG3 H 1 2.187 0.020 . 1 . . . . 51 GLU HG3 . 15225 1 582 . 1 1 51 51 GLU C C 13 175.572 0.300 . 1 . . . . 51 GLU C . 15225 1 583 . 1 1 51 51 GLU CA C 13 53.960 0.300 . 1 . . . . 51 GLU CA . 15225 1 584 . 1 1 51 51 GLU CB C 13 29.419 0.300 . 1 . . . . 51 GLU CB . 15225 1 585 . 1 1 51 51 GLU CG C 13 35.658 0.300 . 1 . . . . 51 GLU CG . 15225 1 586 . 1 1 51 51 GLU N N 15 120.353 0.300 . 1 . . . . 51 GLU N . 15225 1 587 . 1 1 52 52 GLU H H 1 8.274 0.020 . 1 . . . . 52 GLU H . 15225 1 588 . 1 1 52 52 GLU HA H 1 4.511 0.020 . 1 . . . . 52 GLU HA . 15225 1 589 . 1 1 52 52 GLU HB2 H 1 2.110 0.020 . 1 . . . . 52 GLU HB2 . 15225 1 590 . 1 1 52 52 GLU HB3 H 1 2.110 0.020 . 1 . . . . 52 GLU HB3 . 15225 1 591 . 1 1 52 52 GLU HG2 H 1 2.189 0.020 . 1 . . . . 52 GLU HG2 . 15225 1 592 . 1 1 52 52 GLU HG3 H 1 2.189 0.020 . 1 . . . . 52 GLU HG3 . 15225 1 593 . 1 1 52 52 GLU C C 13 174.199 0.300 . 1 . . . . 52 GLU C . 15225 1 594 . 1 1 52 52 GLU CA C 13 57.023 0.300 . 1 . . . . 52 GLU CA . 15225 1 595 . 1 1 52 52 GLU CB C 13 29.796 0.300 . 1 . . . . 52 GLU CB . 15225 1 596 . 1 1 52 52 GLU CG C 13 35.554 0.300 . 1 . . . . 52 GLU CG . 15225 1 597 . 1 1 52 52 GLU N N 15 121.192 0.300 . 1 . . . . 52 GLU N . 15225 1 598 . 1 1 53 53 ASP H H 1 8.239 0.020 . 1 . . . . 53 ASP H . 15225 1 599 . 1 1 53 53 ASP HA H 1 4.233 0.020 . 1 . . . . 53 ASP HA . 15225 1 600 . 1 1 53 53 ASP HB2 H 1 2.566 0.020 . 1 . . . . 53 ASP HB2 . 15225 1 601 . 1 1 53 53 ASP HB3 H 1 2.645 0.020 . 1 . . . . 53 ASP HB3 . 15225 1 602 . 1 1 53 53 ASP C C 13 175.660 0.300 . 1 . . . . 53 ASP C . 15225 1 603 . 1 1 53 53 ASP CA C 13 53.835 0.300 . 1 . . . . 53 ASP CA . 15225 1 604 . 1 1 53 53 ASP CB C 13 40.970 0.300 . 1 . . . . 53 ASP CB . 15225 1 605 . 1 1 53 53 ASP N N 15 121.189 0.300 . 1 . . . . 53 ASP N . 15225 1 606 . 1 1 54 54 GLU H H 1 8.303 0.020 . 1 . . . . 54 GLU H . 15225 1 607 . 1 1 54 54 GLU HA H 1 4.188 0.020 . 1 . . . . 54 GLU HA . 15225 1 608 . 1 1 54 54 GLU HB2 H 1 1.960 0.020 . 1 . . . . 54 GLU HB2 . 15225 1 609 . 1 1 54 54 GLU HB3 H 1 1.960 0.020 . 1 . . . . 54 GLU HB3 . 15225 1 610 . 1 1 54 54 GLU HG2 H 1 2.222 0.020 . 1 . . . . 54 GLU HG2 . 15225 1 611 . 1 1 54 54 GLU HG3 H 1 2.222 0.020 . 1 . . . . 54 GLU HG3 . 15225 1 612 . 1 1 54 54 GLU C C 13 175.732 0.300 . 1 . . . . 54 GLU C . 15225 1 613 . 1 1 54 54 GLU CA C 13 56.169 0.300 . 1 . . . . 54 GLU CA . 15225 1 614 . 1 1 54 54 GLU CB C 13 29.419 0.300 . 1 . . . . 54 GLU CB . 15225 1 615 . 1 1 54 54 GLU CG C 13 36.274 0.300 . 1 . . . . 54 GLU CG . 15225 1 616 . 1 1 54 54 GLU N N 15 121.606 0.300 . 1 . . . . 54 GLU N . 15225 1 617 . 1 1 55 55 ARG H H 1 8.380 0.020 . 1 . . . . 55 ARG H . 15225 1 618 . 1 1 55 55 ARG HA H 1 4.178 0.020 . 1 . . . . 55 ARG HA . 15225 1 619 . 1 1 55 55 ARG HB2 H 1 1.660 0.020 . 1 . . . . 55 ARG HB2 . 15225 1 620 . 1 1 55 55 ARG HB3 H 1 1.527 0.020 . 1 . . . . 55 ARG HB3 . 15225 1 621 . 1 1 55 55 ARG HD2 H 1 3.019 0.020 . 1 . . . . 55 ARG HD2 . 15225 1 622 . 1 1 55 55 ARG HD3 H 1 3.019 0.020 . 1 . . . . 55 ARG HD3 . 15225 1 623 . 1 1 55 55 ARG HG2 H 1 1.324 0.020 . 1 . . . . 55 ARG HG2 . 15225 1 624 . 1 1 55 55 ARG HG3 H 1 1.324 0.020 . 1 . . . . 55 ARG HG3 . 15225 1 625 . 1 1 55 55 ARG C C 13 175.074 0.300 . 1 . . . . 55 ARG C . 15225 1 626 . 1 1 55 55 ARG CA C 13 56.573 0.300 . 1 . . . . 55 ARG CA . 15225 1 627 . 1 1 55 55 ARG CB C 13 29.865 0.300 . 1 . . . . 55 ARG CB . 15225 1 628 . 1 1 55 55 ARG CD C 13 42.543 0.300 . 1 . . . . 55 ARG CD . 15225 1 629 . 1 1 55 55 ARG CG C 13 26.271 0.300 . 1 . . . . 55 ARG CG . 15225 1 630 . 1 1 55 55 ARG N N 15 121.257 0.300 . 1 . . . . 55 ARG N . 15225 1 631 . 1 1 56 56 GLU H H 1 8.107 0.020 . 1 . . . . 56 GLU H . 15225 1 632 . 1 1 56 56 GLU HA H 1 4.085 0.020 . 1 . . . . 56 GLU HA . 15225 1 633 . 1 1 56 56 GLU HB2 H 1 2.187 0.020 . 1 . . . . 56 GLU HB2 . 15225 1 634 . 1 1 56 56 GLU HB3 H 1 2.187 0.020 . 1 . . . . 56 GLU HB3 . 15225 1 635 . 1 1 56 56 GLU HG2 H 1 2.253 0.020 . 1 . . . . 56 GLU HG2 . 15225 1 636 . 1 1 56 56 GLU HG3 H 1 2.253 0.020 . 1 . . . . 56 GLU HG3 . 15225 1 637 . 1 1 56 56 GLU C C 13 175.789 0.300 . 1 . . . . 56 GLU C . 15225 1 638 . 1 1 56 56 GLU CA C 13 55.727 0.300 . 1 . . . . 56 GLU CA . 15225 1 639 . 1 1 56 56 GLU CB C 13 29.342 0.300 . 1 . . . . 56 GLU CB . 15225 1 640 . 1 1 56 56 GLU CG C 13 35.567 0.300 . 1 . . . . 56 GLU CG . 15225 1 641 . 1 1 56 56 GLU N N 15 120.527 0.300 . 1 . . . . 56 GLU N . 15225 1 642 . 1 1 57 57 VAL H H 1 8.173 0.020 . 1 . . . . 57 VAL H . 15225 1 643 . 1 1 57 57 VAL HA H 1 4.106 0.020 . 1 . . . . 57 VAL HA . 15225 1 644 . 1 1 57 57 VAL HB H 1 2.177 0.020 . 1 . . . . 57 VAL HB . 15225 1 645 . 1 1 57 57 VAL HG11 H 1 0.871 0.020 . 1 . . . . 57 VAL HG1 . 15225 1 646 . 1 1 57 57 VAL HG12 H 1 0.871 0.020 . 1 . . . . 57 VAL HG1 . 15225 1 647 . 1 1 57 57 VAL HG13 H 1 0.871 0.020 . 1 . . . . 57 VAL HG1 . 15225 1 648 . 1 1 57 57 VAL HG21 H 1 0.871 0.020 . 1 . . . . 57 VAL HG2 . 15225 1 649 . 1 1 57 57 VAL HG22 H 1 0.871 0.020 . 1 . . . . 57 VAL HG2 . 15225 1 650 . 1 1 57 57 VAL HG23 H 1 0.871 0.020 . 1 . . . . 57 VAL HG2 . 15225 1 651 . 1 1 57 57 VAL C C 13 175.519 0.300 . 1 . . . . 57 VAL C . 15225 1 652 . 1 1 57 57 VAL CA C 13 62.560 0.300 . 1 . . . . 57 VAL CA . 15225 1 653 . 1 1 57 57 VAL CB C 13 32.152 0.300 . 1 . . . . 57 VAL CB . 15225 1 654 . 1 1 57 57 VAL CG1 C 13 21.708 0.300 . 1 . . . . 57 VAL CG1 . 15225 1 655 . 1 1 57 57 VAL CG2 C 13 21.708 0.300 . 1 . . . . 57 VAL CG2 . 15225 1 656 . 1 1 57 57 VAL N N 15 121.326 0.300 . 1 . . . . 57 VAL N . 15225 1 657 . 1 1 58 58 SER H H 1 8.314 0.020 . 1 . . . . 58 SER H . 15225 1 658 . 1 1 58 58 SER HA H 1 4.445 0.020 . 1 . . . . 58 SER HA . 15225 1 659 . 1 1 58 58 SER HB2 H 1 4.160 0.020 . 1 . . . . 58 SER HB2 . 15225 1 660 . 1 1 58 58 SER HB3 H 1 3.760 0.020 . 1 . . . . 58 SER HB3 . 15225 1 661 . 1 1 58 58 SER C C 13 173.536 0.300 . 1 . . . . 58 SER C . 15225 1 662 . 1 1 58 58 SER CA C 13 57.658 0.300 . 1 . . . . 58 SER CA . 15225 1 663 . 1 1 58 58 SER CB C 13 63.137 0.300 . 1 . . . . 58 SER CB . 15225 1 664 . 1 1 58 58 SER N N 15 119.332 0.300 . 1 . . . . 58 SER N . 15225 1 665 . 1 1 59 59 VAL H H 1 8.053 0.020 . 1 . . . . 59 VAL H . 15225 1 666 . 1 1 59 59 VAL HA H 1 4.329 0.020 . 1 . . . . 59 VAL HA . 15225 1 667 . 1 1 59 59 VAL HB H 1 1.983 0.020 . 1 . . . . 59 VAL HB . 15225 1 668 . 1 1 59 59 VAL HG11 H 1 0.850 0.020 . 1 . . . . 59 VAL HG1 . 15225 1 669 . 1 1 59 59 VAL HG12 H 1 0.850 0.020 . 1 . . . . 59 VAL HG1 . 15225 1 670 . 1 1 59 59 VAL HG13 H 1 0.850 0.020 . 1 . . . . 59 VAL HG1 . 15225 1 671 . 1 1 59 59 VAL HG21 H 1 0.850 0.020 . 1 . . . . 59 VAL HG2 . 15225 1 672 . 1 1 59 59 VAL HG22 H 1 0.850 0.020 . 1 . . . . 59 VAL HG2 . 15225 1 673 . 1 1 59 59 VAL HG23 H 1 0.850 0.020 . 1 . . . . 59 VAL HG2 . 15225 1 674 . 1 1 59 59 VAL CA C 13 60.043 0.300 . 1 . . . . 59 VAL CA . 15225 1 675 . 1 1 59 59 VAL CB C 13 32.153 0.300 . 1 . . . . 59 VAL CB . 15225 1 676 . 1 1 59 59 VAL CG1 C 13 20.332 0.300 . 1 . . . . 59 VAL CG1 . 15225 1 677 . 1 1 59 59 VAL CG2 C 13 20.332 0.300 . 1 . . . . 59 VAL CG2 . 15225 1 678 . 1 1 59 59 VAL N N 15 123.051 0.300 . 1 . . . . 59 VAL N . 15225 1 679 . 1 1 60 60 PRO HA H 1 4.258 0.020 . 1 . . . . 60 PRO HA . 15225 1 680 . 1 1 60 60 PRO HB2 H 1 2.286 0.020 . 1 . . . . 60 PRO HB2 . 15225 1 681 . 1 1 60 60 PRO HB3 H 1 2.286 0.020 . 1 . . . . 60 PRO HB3 . 15225 1 682 . 1 1 60 60 PRO HD2 H 1 3.695 0.020 . 1 . . . . 60 PRO HD2 . 15225 1 683 . 1 1 60 60 PRO HD3 H 1 3.586 0.020 . 1 . . . . 60 PRO HD3 . 15225 1 684 . 1 1 60 60 PRO HG2 H 1 1.940 0.020 . 1 . . . . 60 PRO HG2 . 15225 1 685 . 1 1 60 60 PRO HG3 H 1 1.849 0.020 . 1 . . . . 60 PRO HG3 . 15225 1 686 . 1 1 60 60 PRO C C 13 176.703 0.300 . 1 . . . . 60 PRO C . 15225 1 687 . 1 1 60 60 PRO CA C 13 63.585 0.300 . 1 . . . . 60 PRO CA . 15225 1 688 . 1 1 60 60 PRO CB C 13 31.714 0.300 . 1 . . . . 60 PRO CB . 15225 1 689 . 1 1 60 60 PRO CD C 13 51.152 0.300 . 1 . . . . 60 PRO CD . 15225 1 690 . 1 1 60 60 PRO CG C 13 26.743 0.300 . 1 . . . . 60 PRO CG . 15225 1 691 . 1 1 61 61 ALA H H 1 8.367 0.020 . 1 . . . . 61 ALA H . 15225 1 692 . 1 1 61 61 ALA HA H 1 4.055 0.020 . 1 . . . . 61 ALA HA . 15225 1 693 . 1 1 61 61 ALA HB1 H 1 1.370 0.020 . 1 . . . . 61 ALA HB . 15225 1 694 . 1 1 61 61 ALA HB2 H 1 1.370 0.020 . 1 . . . . 61 ALA HB . 15225 1 695 . 1 1 61 61 ALA HB3 H 1 1.370 0.020 . 1 . . . . 61 ALA HB . 15225 1 696 . 1 1 61 61 ALA C C 13 178.332 0.300 . 1 . . . . 61 ALA C . 15225 1 697 . 1 1 61 61 ALA CA C 13 53.893 0.300 . 1 . . . . 61 ALA CA . 15225 1 698 . 1 1 61 61 ALA CB C 13 18.480 0.300 . 1 . . . . 61 ALA CB . 15225 1 699 . 1 1 61 61 ALA N N 15 123.649 0.300 . 1 . . . . 61 ALA N . 15225 1 700 . 1 1 62 62 GLU H H 1 8.486 0.020 . 1 . . . . 62 GLU H . 15225 1 701 . 1 1 62 62 GLU HA H 1 4.080 0.020 . 1 . . . . 62 GLU HA . 15225 1 702 . 1 1 62 62 GLU HB2 H 1 2.187 0.020 . 1 . . . . 62 GLU HB2 . 15225 1 703 . 1 1 62 62 GLU HB3 H 1 2.187 0.020 . 1 . . . . 62 GLU HB3 . 15225 1 704 . 1 1 62 62 GLU HG2 H 1 2.183 0.020 . 1 . . . . 62 GLU HG2 . 15225 1 705 . 1 1 62 62 GLU HG3 H 1 2.183 0.020 . 1 . . . . 62 GLU HG3 . 15225 1 706 . 1 1 62 62 GLU C C 13 176.390 0.300 . 1 . . . . 62 GLU C . 15225 1 707 . 1 1 62 62 GLU CA C 13 57.378 0.300 . 1 . . . . 62 GLU CA . 15225 1 708 . 1 1 62 62 GLU CB C 13 29.160 0.300 . 1 . . . . 62 GLU CB . 15225 1 709 . 1 1 62 62 GLU CG C 13 35.859 0.300 . 1 . . . . 62 GLU CG . 15225 1 710 . 1 1 62 62 GLU N N 15 118.004 0.300 . 1 . . . . 62 GLU N . 15225 1 711 . 1 1 63 63 ILE H H 1 8.179 0.020 . 1 . . . . 63 ILE H . 15225 1 712 . 1 1 63 63 ILE HA H 1 4.040 0.020 . 1 . . . . 63 ILE HA . 15225 1 713 . 1 1 63 63 ILE HB H 1 1.873 0.020 . 1 . . . . 63 ILE HB . 15225 1 714 . 1 1 63 63 ILE HD11 H 1 0.764 0.020 . 1 . . . . 63 ILE HD1 . 15225 1 715 . 1 1 63 63 ILE HD12 H 1 0.764 0.020 . 1 . . . . 63 ILE HD1 . 15225 1 716 . 1 1 63 63 ILE HD13 H 1 0.764 0.020 . 1 . . . . 63 ILE HD1 . 15225 1 717 . 1 1 63 63 ILE HG12 H 1 1.294 0.020 . 1 . . . . 63 ILE HG12 . 15225 1 718 . 1 1 63 63 ILE HG13 H 1 1.257 0.020 . 1 . . . . 63 ILE HG13 . 15225 1 719 . 1 1 63 63 ILE HG21 H 1 0.810 0.020 . 1 . . . . 63 ILE HG2 . 15225 1 720 . 1 1 63 63 ILE HG22 H 1 0.810 0.020 . 1 . . . . 63 ILE HG2 . 15225 1 721 . 1 1 63 63 ILE HG23 H 1 0.810 0.020 . 1 . . . . 63 ILE HG2 . 15225 1 722 . 1 1 63 63 ILE C C 13 177.520 0.300 . 1 . . . . 63 ILE C . 15225 1 723 . 1 1 63 63 ILE CA C 13 61.177 0.300 . 1 . . . . 63 ILE CA . 15225 1 724 . 1 1 63 63 ILE CB C 13 38.257 0.300 . 1 . . . . 63 ILE CB . 15225 1 725 . 1 1 63 63 ILE CD1 C 13 12.125 0.300 . 1 . . . . 63 ILE CD1 . 15225 1 726 . 1 1 63 63 ILE CG1 C 13 26.502 0.300 . 1 . . . . 63 ILE CG1 . 15225 1 727 . 1 1 63 63 ILE CG2 C 13 17.083 0.300 . 1 . . . . 63 ILE CG2 . 15225 1 728 . 1 1 63 63 ILE N N 15 120.793 0.300 . 1 . . . . 63 ILE N . 15225 1 729 . 1 1 64 64 LEU H H 1 7.861 0.020 . 1 . . . . 64 LEU H . 15225 1 730 . 1 1 64 64 LEU HA H 1 4.128 0.020 . 1 . . . . 64 LEU HA . 15225 1 731 . 1 1 64 64 LEU HB2 H 1 1.624 0.020 . 1 . . . . 64 LEU HB2 . 15225 1 732 . 1 1 64 64 LEU HB3 H 1 1.515 0.020 . 1 . . . . 64 LEU HB3 . 15225 1 733 . 1 1 64 64 LEU HD11 H 1 0.810 0.020 . 1 . . . . 64 LEU HD1 . 15225 1 734 . 1 1 64 64 LEU HD12 H 1 0.810 0.020 . 1 . . . . 64 LEU HD1 . 15225 1 735 . 1 1 64 64 LEU HD13 H 1 0.810 0.020 . 1 . . . . 64 LEU HD1 . 15225 1 736 . 1 1 64 64 LEU HD21 H 1 0.810 0.020 . 1 . . . . 64 LEU HD2 . 15225 1 737 . 1 1 64 64 LEU HD22 H 1 0.810 0.020 . 1 . . . . 64 LEU HD2 . 15225 1 738 . 1 1 64 64 LEU HD23 H 1 0.810 0.020 . 1 . . . . 64 LEU HD2 . 15225 1 739 . 1 1 64 64 LEU HG H 1 1.499 0.020 . 1 . . . . 64 LEU HG . 15225 1 740 . 1 1 64 64 LEU C C 13 176.778 0.300 . 1 . . . . 64 LEU C . 15225 1 741 . 1 1 64 64 LEU CA C 13 54.622 0.300 . 1 . . . . 64 LEU CA . 15225 1 742 . 1 1 64 64 LEU CB C 13 40.758 0.300 . 1 . . . . 64 LEU CB . 15225 1 743 . 1 1 64 64 LEU CD1 C 13 23.123 0.300 . 1 . . . . 64 LEU CD1 . 15225 1 744 . 1 1 64 64 LEU CD2 C 13 23.123 0.300 . 1 . . . . 64 LEU CD2 . 15225 1 745 . 1 1 64 64 LEU CG C 13 26.375 0.300 . 1 . . . . 64 LEU CG . 15225 1 746 . 1 1 64 64 LEU N N 15 123.162 0.300 . 1 . . . . 64 LEU N . 15225 1 747 . 1 1 65 65 ARG H H 1 7.828 0.020 . 1 . . . . 65 ARG H . 15225 1 748 . 1 1 65 65 ARG HA H 1 4.524 0.020 . 1 . . . . 65 ARG HA . 15225 1 749 . 1 1 65 65 ARG HB2 H 1 1.569 0.020 . 1 . . . . 65 ARG HB2 . 15225 1 750 . 1 1 65 65 ARG HB3 H 1 1.569 0.020 . 1 . . . . 65 ARG HB3 . 15225 1 751 . 1 1 65 65 ARG HD2 H 1 3.005 0.020 . 1 . . . . 65 ARG HD2 . 15225 1 752 . 1 1 65 65 ARG HD3 H 1 3.227 0.020 . 1 . . . . 65 ARG HD3 . 15225 1 753 . 1 1 65 65 ARG HG2 H 1 1.345 0.020 . 1 . . . . 65 ARG HG2 . 15225 1 754 . 1 1 65 65 ARG HG3 H 1 1.345 0.020 . 1 . . . . 65 ARG HG3 . 15225 1 755 . 1 1 65 65 ARG C C 13 176.555 0.300 . 1 . . . . 65 ARG C . 15225 1 756 . 1 1 65 65 ARG CA C 13 57.318 0.300 . 1 . . . . 65 ARG CA . 15225 1 757 . 1 1 65 65 ARG CB C 13 28.781 0.300 . 1 . . . . 65 ARG CB . 15225 1 758 . 1 1 65 65 ARG CD C 13 42.734 0.300 . 1 . . . . 65 ARG CD . 15225 1 759 . 1 1 65 65 ARG CG C 13 26.788 0.300 . 1 . . . . 65 ARG CG . 15225 1 760 . 1 1 65 65 ARG N N 15 120.262 0.300 . 1 . . . . 65 ARG N . 15225 1 761 . 1 1 66 66 LYS H H 1 7.968 0.020 . 1 . . . . 66 LYS H . 15225 1 762 . 1 1 66 66 LYS HA H 1 4.337 0.020 . 1 . . . . 66 LYS HA . 15225 1 763 . 1 1 66 66 LYS HB2 H 1 1.783 0.020 . 1 . . . . 66 LYS HB2 . 15225 1 764 . 1 1 66 66 LYS HB3 H 1 1.783 0.020 . 1 . . . . 66 LYS HB3 . 15225 1 765 . 1 1 66 66 LYS HD2 H 1 1.601 0.020 . 1 . . . . 66 LYS HD2 . 15225 1 766 . 1 1 66 66 LYS HD3 H 1 1.601 0.020 . 1 . . . . 66 LYS HD3 . 15225 1 767 . 1 1 66 66 LYS HE2 H 1 2.900 0.020 . 1 . . . . 66 LYS HE2 . 15225 1 768 . 1 1 66 66 LYS HE3 H 1 2.900 0.020 . 1 . . . . 66 LYS HE3 . 15225 1 769 . 1 1 66 66 LYS HG2 H 1 1.445 0.020 . 1 . . . . 66 LYS HG2 . 15225 1 770 . 1 1 66 66 LYS HG3 H 1 1.445 0.020 . 1 . . . . 66 LYS HG3 . 15225 1 771 . 1 1 66 66 LYS C C 13 174.067 0.300 . 1 . . . . 66 LYS C . 15225 1 772 . 1 1 66 66 LYS CA C 13 55.995 0.300 . 1 . . . . 66 LYS CA . 15225 1 773 . 1 1 66 66 LYS CB C 13 32.342 0.300 . 1 . . . . 66 LYS CB . 15225 1 774 . 1 1 66 66 LYS CD C 13 28.321 0.300 . 1 . . . . 66 LYS CD . 15225 1 775 . 1 1 66 66 LYS CE C 13 42.625 0.300 . 1 . . . . 66 LYS CE . 15225 1 776 . 1 1 66 66 LYS CG C 13 23.960 0.300 . 1 . . . . 66 LYS CG . 15225 1 777 . 1 1 66 66 LYS N N 15 120.129 0.300 . 1 . . . . 66 LYS N . 15225 1 778 . 1 1 67 67 SER H H 1 8.039 0.020 . 1 . . . . 67 SER H . 15225 1 779 . 1 1 67 67 SER HA H 1 4.310 0.020 . 1 . . . . 67 SER HA . 15225 1 780 . 1 1 67 67 SER HB2 H 1 3.818 0.020 . 1 . . . . 67 SER HB2 . 15225 1 781 . 1 1 67 67 SER HB3 H 1 3.818 0.020 . 1 . . . . 67 SER HB3 . 15225 1 782 . 1 1 67 67 SER C C 13 172.921 0.300 . 1 . . . . 67 SER C . 15225 1 783 . 1 1 67 67 SER CA C 13 57.686 0.300 . 1 . . . . 67 SER CA . 15225 1 784 . 1 1 67 67 SER CB C 13 63.323 0.300 . 1 . . . . 67 SER CB . 15225 1 785 . 1 1 67 67 SER N N 15 115.280 0.300 . 1 . . . . 67 SER N . 15225 1 786 . 1 1 68 68 ARG H H 1 7.890 0.020 . 1 . . . . 68 ARG H . 15225 1 787 . 1 1 68 68 ARG HA H 1 4.054 0.020 . 1 . . . . 68 ARG HA . 15225 1 788 . 1 1 68 68 ARG HB2 H 1 1.968 0.020 . 1 . . . . 68 ARG HB2 . 15225 1 789 . 1 1 68 68 ARG HB3 H 1 1.968 0.020 . 1 . . . . 68 ARG HB3 . 15225 1 790 . 1 1 68 68 ARG HD2 H 1 3.048 0.020 . 1 . . . . 68 ARG HD2 . 15225 1 791 . 1 1 68 68 ARG HD3 H 1 3.048 0.020 . 1 . . . . 68 ARG HD3 . 15225 1 792 . 1 1 68 68 ARG HG2 H 1 1.785 0.020 . 1 . . . . 68 ARG HG2 . 15225 1 793 . 1 1 68 68 ARG HG3 H 1 1.785 0.020 . 1 . . . . 68 ARG HG3 . 15225 1 794 . 1 1 68 68 ARG C C 13 176.064 0.300 . 1 . . . . 68 ARG C . 15225 1 795 . 1 1 68 68 ARG CA C 13 57.245 0.300 . 1 . . . . 68 ARG CA . 15225 1 796 . 1 1 68 68 ARG CB C 13 30.134 0.300 . 1 . . . . 68 ARG CB . 15225 1 797 . 1 1 68 68 ARG CD C 13 43.883 0.300 . 1 . . . . 68 ARG CD . 15225 1 798 . 1 1 68 68 ARG CG C 13 28.998 0.300 . 1 . . . . 68 ARG CG . 15225 1 799 . 1 1 68 68 ARG N N 15 127.434 0.300 . 1 . . . . 68 ARG N . 15225 1 800 . 1 1 69 69 ARG H H 1 8.382 0.020 . 1 . . . . 69 ARG H . 15225 1 801 . 1 1 69 69 ARG HA H 1 4.223 0.020 . 1 . . . . 69 ARG HA . 15225 1 802 . 1 1 69 69 ARG HB2 H 1 1.751 0.020 . 1 . . . . 69 ARG HB2 . 15225 1 803 . 1 1 69 69 ARG HB3 H 1 1.751 0.020 . 1 . . . . 69 ARG HB3 . 15225 1 804 . 1 1 69 69 ARG HD2 H 1 3.007 0.020 . 1 . . . . 69 ARG HD2 . 15225 1 805 . 1 1 69 69 ARG HD3 H 1 3.007 0.020 . 1 . . . . 69 ARG HD3 . 15225 1 806 . 1 1 69 69 ARG HG2 H 1 1.300 0.020 . 1 . . . . 69 ARG HG2 . 15225 1 807 . 1 1 69 69 ARG HG3 H 1 1.300 0.020 . 1 . . . . 69 ARG HG3 . 15225 1 808 . 1 1 69 69 ARG C C 13 177.622 0.300 . 1 . . . . 69 ARG C . 15225 1 809 . 1 1 69 69 ARG CA C 13 56.282 0.300 . 1 . . . . 69 ARG CA . 15225 1 810 . 1 1 69 69 ARG CB C 13 29.482 0.300 . 1 . . . . 69 ARG CB . 15225 1 811 . 1 1 69 69 ARG CD C 13 42.671 0.300 . 1 . . . . 69 ARG CD . 15225 1 812 . 1 1 69 69 ARG CG C 13 26.462 0.300 . 1 . . . . 69 ARG CG . 15225 1 813 . 1 1 69 69 ARG N N 15 121.192 0.300 . 1 . . . . 69 ARG N . 15225 1 814 . 1 1 70 70 PHE H H 1 8.028 0.020 . 1 . . . . 70 PHE H . 15225 1 815 . 1 1 70 70 PHE HA H 1 4.079 0.020 . 1 . . . . 70 PHE HA . 15225 1 816 . 1 1 70 70 PHE HB2 H 1 3.110 0.020 . 1 . . . . 70 PHE HB2 . 15225 1 817 . 1 1 70 70 PHE HB3 H 1 2.888 0.020 . 1 . . . . 70 PHE HB3 . 15225 1 818 . 1 1 70 70 PHE C C 13 174.875 0.300 . 1 . . . . 70 PHE C . 15225 1 819 . 1 1 70 70 PHE CA C 13 57.188 0.300 . 1 . . . . 70 PHE CA . 15225 1 820 . 1 1 70 70 PHE CB C 13 39.105 0.300 . 1 . . . . 70 PHE CB . 15225 1 821 . 1 1 70 70 PHE N N 15 119.664 0.300 . 1 . . . . 70 PHE N . 15225 1 822 . 1 1 71 71 ALA H H 1 8.058 0.020 . 1 . . . . 71 ALA H . 15225 1 823 . 1 1 71 71 ALA HA H 1 4.202 0.020 . 1 . . . . 71 ALA HA . 15225 1 824 . 1 1 71 71 ALA HB1 H 1 1.278 0.020 . 1 . . . . 71 ALA HB . 15225 1 825 . 1 1 71 71 ALA HB2 H 1 1.278 0.020 . 1 . . . . 71 ALA HB . 15225 1 826 . 1 1 71 71 ALA HB3 H 1 1.278 0.020 . 1 . . . . 71 ALA HB . 15225 1 827 . 1 1 71 71 ALA C C 13 175.701 0.300 . 1 . . . . 71 ALA C . 15225 1 828 . 1 1 71 71 ALA CA C 13 52.212 0.300 . 1 . . . . 71 ALA CA . 15225 1 829 . 1 1 71 71 ALA CB C 13 18.912 0.300 . 1 . . . . 71 ALA CB . 15225 1 830 . 1 1 71 71 ALA N N 15 124.778 0.300 . 1 . . . . 71 ALA N . 15225 1 831 . 1 1 72 72 ARG H H 1 7.876 0.020 . 1 . . . . 72 ARG H . 15225 1 832 . 1 1 72 72 ARG HA H 1 4.262 0.020 . 1 . . . . 72 ARG HA . 15225 1 833 . 1 1 72 72 ARG HB2 H 1 1.752 0.020 . 1 . . . . 72 ARG HB2 . 15225 1 834 . 1 1 72 72 ARG HB3 H 1 1.752 0.020 . 1 . . . . 72 ARG HB3 . 15225 1 835 . 1 1 72 72 ARG HD2 H 1 3.063 0.020 . 1 . . . . 72 ARG HD2 . 15225 1 836 . 1 1 72 72 ARG HD3 H 1 3.063 0.020 . 1 . . . . 72 ARG HD3 . 15225 1 837 . 1 1 72 72 ARG HG2 H 1 1.627 0.020 . 1 . . . . 72 ARG HG2 . 15225 1 838 . 1 1 72 72 ARG HG3 H 1 1.563 0.020 . 1 . . . . 72 ARG HG3 . 15225 1 839 . 1 1 72 72 ARG C C 13 174.962 0.300 . 1 . . . . 72 ARG C . 15225 1 840 . 1 1 72 72 ARG CA C 13 53.954 0.300 . 1 . . . . 72 ARG CA . 15225 1 841 . 1 1 72 72 ARG CB C 13 30.464 0.300 . 1 . . . . 72 ARG CB . 15225 1 842 . 1 1 72 72 ARG CD C 13 41.363 0.300 . 1 . . . . 72 ARG CD . 15225 1 843 . 1 1 72 72 ARG CG C 13 26.487 0.300 . 1 . . . . 72 ARG CG . 15225 1 844 . 1 1 72 72 ARG N N 15 118.668 0.300 . 1 . . . . 72 ARG N . 15225 1 845 . 1 1 73 73 ALA H H 1 8.119 0.020 . 1 . . . . 73 ALA H . 15225 1 846 . 1 1 73 73 ALA HA H 1 4.778 0.020 . 1 . . . . 73 ALA HA . 15225 1 847 . 1 1 73 73 ALA HB1 H 1 1.253 0.020 . 1 . . . . 73 ALA HB . 15225 1 848 . 1 1 73 73 ALA HB2 H 1 1.253 0.020 . 1 . . . . 73 ALA HB . 15225 1 849 . 1 1 73 73 ALA HB3 H 1 1.253 0.020 . 1 . . . . 73 ALA HB . 15225 1 850 . 1 1 73 73 ALA C C 13 176.568 0.300 . 1 . . . . 73 ALA C . 15225 1 851 . 1 1 73 73 ALA CA C 13 51.435 0.300 . 1 . . . . 73 ALA CA . 15225 1 852 . 1 1 73 73 ALA CB C 13 18.634 0.300 . 1 . . . . 73 ALA CB . 15225 1 853 . 1 1 73 73 ALA N N 15 124.641 0.300 . 1 . . . . 73 ALA N . 15225 1 854 . 1 1 74 74 LEU H H 1 8.002 0.020 . 1 . . . . 74 LEU H . 15225 1 855 . 1 1 74 74 LEU HA H 1 4.383 0.020 . 1 . . . . 74 LEU HA . 15225 1 856 . 1 1 74 74 LEU HB2 H 1 1.507 0.020 . 1 . . . . 74 LEU HB2 . 15225 1 857 . 1 1 74 74 LEU HB3 H 1 1.507 0.020 . 1 . . . . 74 LEU HB3 . 15225 1 858 . 1 1 74 74 LEU HD11 H 1 0.734 0.020 . 1 . . . . 74 LEU HD1 . 15225 1 859 . 1 1 74 74 LEU HD12 H 1 0.734 0.020 . 1 . . . . 74 LEU HD1 . 15225 1 860 . 1 1 74 74 LEU HD13 H 1 0.734 0.020 . 1 . . . . 74 LEU HD1 . 15225 1 861 . 1 1 74 74 LEU HD21 H 1 0.734 0.020 . 1 . . . . 74 LEU HD2 . 15225 1 862 . 1 1 74 74 LEU HD22 H 1 0.734 0.020 . 1 . . . . 74 LEU HD2 . 15225 1 863 . 1 1 74 74 LEU HD23 H 1 0.734 0.020 . 1 . . . . 74 LEU HD2 . 15225 1 864 . 1 1 74 74 LEU HG H 1 1.400 0.020 . 1 . . . . 74 LEU HG . 15225 1 865 . 1 1 74 74 LEU CA C 13 52.149 0.300 . 1 . . . . 74 LEU CA . 15225 1 866 . 1 1 74 74 LEU CB C 13 41.625 0.300 . 1 . . . . 74 LEU CB . 15225 1 867 . 1 1 74 74 LEU CD1 C 13 23.776 0.300 . 1 . . . . 74 LEU CD1 . 15225 1 868 . 1 1 74 74 LEU CD2 C 13 23.776 0.300 . 1 . . . . 74 LEU CD2 . 15225 1 869 . 1 1 74 74 LEU CG C 13 26.545 0.300 . 1 . . . . 74 LEU CG . 15225 1 870 . 1 1 74 74 LEU N N 15 122.719 0.300 . 1 . . . . 74 LEU N . 15225 1 871 . 1 1 75 75 PRO HA H 1 4.405 0.020 . 1 . . . . 75 PRO HA . 15225 1 872 . 1 1 75 75 PRO HB2 H 1 2.218 0.020 . 1 . . . . 75 PRO HB2 . 15225 1 873 . 1 1 75 75 PRO HB3 H 1 2.218 0.020 . 1 . . . . 75 PRO HB3 . 15225 1 874 . 1 1 75 75 PRO HD2 H 1 3.688 0.020 . 1 . . . . 75 PRO HD2 . 15225 1 875 . 1 1 75 75 PRO HD3 H 1 3.688 0.020 . 1 . . . . 75 PRO HD3 . 15225 1 876 . 1 1 75 75 PRO HG2 H 1 1.911 0.020 . 1 . . . . 75 PRO HG2 . 15225 1 877 . 1 1 75 75 PRO HG3 H 1 1.911 0.020 . 1 . . . . 75 PRO HG3 . 15225 1 878 . 1 1 75 75 PRO C C 13 176.839 0.300 . 1 . . . . 75 PRO C . 15225 1 879 . 1 1 75 75 PRO CA C 13 62.287 0.300 . 1 . . . . 75 PRO CA . 15225 1 880 . 1 1 75 75 PRO CB C 13 31.378 0.300 . 1 . . . . 75 PRO CB . 15225 1 881 . 1 1 75 75 PRO CD C 13 50.171 0.300 . 1 . . . . 75 PRO CD . 15225 1 882 . 1 1 75 75 PRO CG C 13 26.605 0.300 . 1 . . . . 75 PRO CG . 15225 1 883 . 1 1 76 76 VAL H H 1 8.112 0.020 . 1 . . . . 76 VAL H . 15225 1 884 . 1 1 76 76 VAL HA H 1 3.681 0.020 . 1 . . . . 76 VAL HA . 15225 1 885 . 1 1 76 76 VAL HB H 1 1.919 0.020 . 1 . . . . 76 VAL HB . 15225 1 886 . 1 1 76 76 VAL HG11 H 1 0.842 0.020 . 1 . . . . 76 VAL HG1 . 15225 1 887 . 1 1 76 76 VAL HG12 H 1 0.842 0.020 . 1 . . . . 76 VAL HG1 . 15225 1 888 . 1 1 76 76 VAL HG13 H 1 0.842 0.020 . 1 . . . . 76 VAL HG1 . 15225 1 889 . 1 1 76 76 VAL HG21 H 1 0.842 0.020 . 1 . . . . 76 VAL HG2 . 15225 1 890 . 1 1 76 76 VAL HG22 H 1 0.842 0.020 . 1 . . . . 76 VAL HG2 . 15225 1 891 . 1 1 76 76 VAL HG23 H 1 0.842 0.020 . 1 . . . . 76 VAL HG2 . 15225 1 892 . 1 1 76 76 VAL C C 13 175.414 0.300 . 1 . . . . 76 VAL C . 15225 1 893 . 1 1 76 76 VAL CA C 13 63.346 0.300 . 1 . . . . 76 VAL CA . 15225 1 894 . 1 1 76 76 VAL CB C 13 31.033 0.300 . 1 . . . . 76 VAL CB . 15225 1 895 . 1 1 76 76 VAL CG1 C 13 19.564 0.300 . 1 . . . . 76 VAL CG1 . 15225 1 896 . 1 1 76 76 VAL CG2 C 13 19.564 0.300 . 1 . . . . 76 VAL CG2 . 15225 1 897 . 1 1 76 76 VAL N N 15 119.199 0.300 . 1 . . . . 76 VAL N . 15225 1 898 . 1 1 77 77 TRP H H 1 7.135 0.020 . 1 . . . . 77 TRP H . 15225 1 899 . 1 1 77 77 TRP HA H 1 4.237 0.020 . 1 . . . . 77 TRP HA . 15225 1 900 . 1 1 77 77 TRP HB2 H 1 3.209 0.020 . 1 . . . . 77 TRP HB2 . 15225 1 901 . 1 1 77 77 TRP HB3 H 1 3.048 0.020 . 1 . . . . 77 TRP HB3 . 15225 1 902 . 1 1 77 77 TRP HE1 H 1 10.105 0.020 . 1 . . . . 77 TRP HD1 . 15225 1 903 . 1 1 77 77 TRP C C 13 175.147 0.300 . 1 . . . . 77 TRP C . 15225 1 904 . 1 1 77 77 TRP CA C 13 55.771 0.300 . 1 . . . . 77 TRP CA . 15225 1 905 . 1 1 77 77 TRP CB C 13 28.399 0.300 . 1 . . . . 77 TRP CB . 15225 1 906 . 1 1 77 77 TRP N N 15 118.602 0.300 . 1 . . . . 77 TRP N . 15225 1 907 . 1 1 77 77 TRP NE1 N 15 129.592 0.300 . 1 . . . . 77 TRP NE1 . 15225 1 908 . 1 1 78 78 ALA H H 1 7.498 0.020 . 1 . . . . 78 ALA H . 15225 1 909 . 1 1 78 78 ALA HA H 1 4.244 0.020 . 1 . . . . 78 ALA HA . 15225 1 910 . 1 1 78 78 ALA HB1 H 1 1.307 0.020 . 1 . . . . 78 ALA HB . 15225 1 911 . 1 1 78 78 ALA HB2 H 1 1.307 0.020 . 1 . . . . 78 ALA HB . 15225 1 912 . 1 1 78 78 ALA HB3 H 1 1.307 0.020 . 1 . . . . 78 ALA HB . 15225 1 913 . 1 1 78 78 ALA C C 13 176.482 0.300 . 1 . . . . 78 ALA C . 15225 1 914 . 1 1 78 78 ALA CA C 13 51.171 0.300 . 1 . . . . 78 ALA CA . 15225 1 915 . 1 1 78 78 ALA CB C 13 18.843 0.300 . 1 . . . . 78 ALA CB . 15225 1 916 . 1 1 78 78 ALA N N 15 124.645 0.300 . 1 . . . . 78 ALA N . 15225 1 917 . 1 1 79 79 ARG H H 1 8.241 0.020 . 1 . . . . 79 ARG H . 15225 1 918 . 1 1 79 79 ARG HA H 1 4.477 0.020 . 1 . . . . 79 ARG HA . 15225 1 919 . 1 1 79 79 ARG HB2 H 1 1.788 0.020 . 1 . . . . 79 ARG HB2 . 15225 1 920 . 1 1 79 79 ARG HB3 H 1 1.780 0.020 . 1 . . . . 79 ARG HB3 . 15225 1 921 . 1 1 79 79 ARG HD2 H 1 2.887 0.020 . 1 . . . . 79 ARG HD2 . 15225 1 922 . 1 1 79 79 ARG HD3 H 1 2.887 0.020 . 1 . . . . 79 ARG HD3 . 15225 1 923 . 1 1 79 79 ARG HG2 H 1 1.584 0.020 . 1 . . . . 79 ARG HG2 . 15225 1 924 . 1 1 79 79 ARG HG3 H 1 1.584 0.020 . 1 . . . . 79 ARG HG3 . 15225 1 925 . 1 1 79 79 ARG CA C 13 54.016 0.300 . 1 . . . . 79 ARG CA . 15225 1 926 . 1 1 79 79 ARG CB C 13 29.073 0.300 . 1 . . . . 79 ARG CB . 15225 1 927 . 1 1 79 79 ARG CD C 13 41.815 0.300 . 1 . . . . 79 ARG CD . 15225 1 928 . 1 1 79 79 ARG CG C 13 28.756 0.300 . 1 . . . . 79 ARG CG . 15225 1 929 . 1 1 79 79 ARG N N 15 121.657 0.300 . 1 . . . . 79 ARG N . 15225 1 930 . 1 1 80 80 PRO HA H 1 4.287 0.020 . 1 . . . . 80 PRO HA . 15225 1 931 . 1 1 80 80 PRO HB2 H 1 2.161 0.020 . 1 . . . . 80 PRO HB2 . 15225 1 932 . 1 1 80 80 PRO HB3 H 1 2.161 0.020 . 1 . . . . 80 PRO HB3 . 15225 1 933 . 1 1 80 80 PRO HD2 H 1 3.847 0.020 . 1 . . . . 80 PRO HD2 . 15225 1 934 . 1 1 80 80 PRO HD3 H 1 3.847 0.020 . 1 . . . . 80 PRO HD3 . 15225 1 935 . 1 1 80 80 PRO HG2 H 1 1.919 0.020 . 1 . . . . 80 PRO HG2 . 15225 1 936 . 1 1 80 80 PRO HG3 H 1 1.919 0.020 . 1 . . . . 80 PRO HG3 . 15225 1 937 . 1 1 80 80 PRO C C 13 175.733 0.300 . 1 . . . . 80 PRO C . 15225 1 938 . 1 1 80 80 PRO CA C 13 63.439 0.300 . 1 . . . . 80 PRO CA . 15225 1 939 . 1 1 80 80 PRO CB C 13 31.152 0.300 . 1 . . . . 80 PRO CB . 15225 1 940 . 1 1 80 80 PRO CD C 13 51.193 0.300 . 1 . . . . 80 PRO CD . 15225 1 941 . 1 1 80 80 PRO CG C 13 26.592 0.300 . 1 . . . . 80 PRO CG . 15225 1 942 . 1 1 81 81 ASP H H 1 8.242 0.020 . 1 . . . . 81 ASP H . 15225 1 943 . 1 1 81 81 ASP HA H 1 4.444 0.020 . 1 . . . . 81 ASP HA . 15225 1 944 . 1 1 81 81 ASP HB2 H 1 2.574 0.020 . 1 . . . . 81 ASP HB2 . 15225 1 945 . 1 1 81 81 ASP HB3 H 1 2.574 0.020 . 1 . . . . 81 ASP HB3 . 15225 1 946 . 1 1 81 81 ASP C C 13 175.124 0.300 . 1 . . . . 81 ASP C . 15225 1 947 . 1 1 81 81 ASP CA C 13 53.356 0.300 . 1 . . . . 81 ASP CA . 15225 1 948 . 1 1 81 81 ASP CB C 13 39.875 0.300 . 1 . . . . 81 ASP CB . 15225 1 949 . 1 1 81 81 ASP N N 15 117.738 0.300 . 1 . . . . 81 ASP N . 15225 1 950 . 1 1 82 82 TYR H H 1 7.744 0.020 . 1 . . . . 82 TYR H . 15225 1 951 . 1 1 82 82 TYR HA H 1 4.425 0.020 . 1 . . . . 82 TYR HA . 15225 1 952 . 1 1 82 82 TYR HB2 H 1 3.000 0.020 . 1 . . . . 82 TYR HB2 . 15225 1 953 . 1 1 82 82 TYR HB3 H 1 3.000 0.020 . 1 . . . . 82 TYR HB3 . 15225 1 954 . 1 1 82 82 TYR C C 13 173.902 0.300 . 1 . . . . 82 TYR C . 15225 1 955 . 1 1 82 82 TYR CA C 13 57.557 0.300 . 1 . . . . 82 TYR CA . 15225 1 956 . 1 1 82 82 TYR CB C 13 38.593 0.300 . 1 . . . . 82 TYR CB . 15225 1 957 . 1 1 82 82 TYR N N 15 120.527 0.300 . 1 . . . . 82 TYR N . 15225 1 958 . 1 1 83 83 ASN H H 1 8.105 0.020 . 1 . . . . 83 ASN H . 15225 1 959 . 1 1 83 83 ASN HA H 1 4.778 0.020 . 1 . . . . 83 ASN HA . 15225 1 960 . 1 1 83 83 ASN HB2 H 1 2.568 0.020 . 1 . . . . 83 ASN HB2 . 15225 1 961 . 1 1 83 83 ASN HB3 H 1 2.568 0.020 . 1 . . . . 83 ASN HB3 . 15225 1 962 . 1 1 83 83 ASN HD21 H 1 7.411 0.020 . 1 . . . . 83 ASN HD21 . 15225 1 963 . 1 1 83 83 ASN HD22 H 1 6.752 0.020 . 1 . . . . 83 ASN HD22 . 15225 1 964 . 1 1 83 83 ASN C C 13 175.100 0.300 . 1 . . . . 83 ASN C . 15225 1 965 . 1 1 83 83 ASN CA C 13 51.148 0.300 . 1 . . . . 83 ASN CA . 15225 1 966 . 1 1 83 83 ASN CB C 13 38.970 0.300 . 1 . . . . 83 ASN CB . 15225 1 967 . 1 1 83 83 ASN N N 15 124.353 0.300 . 1 . . . . 83 ASN N . 15225 1 968 . 1 1 85 85 PRO HA H 1 4.190 0.020 . 1 . . . . 85 PRO HA . 15225 1 969 . 1 1 85 85 PRO HB2 H 1 2.188 0.020 . 1 . . . . 85 PRO HB2 . 15225 1 970 . 1 1 85 85 PRO HB3 H 1 2.188 0.020 . 1 . . . . 85 PRO HB3 . 15225 1 971 . 1 1 85 85 PRO HD2 H 1 3.651 0.020 . 1 . . . . 85 PRO HD2 . 15225 1 972 . 1 1 85 85 PRO HD3 H 1 3.651 0.020 . 1 . . . . 85 PRO HD3 . 15225 1 973 . 1 1 85 85 PRO HG2 H 1 1.765 0.020 . 1 . . . . 85 PRO HG2 . 15225 1 974 . 1 1 85 85 PRO HG3 H 1 1.565 0.020 . 1 . . . . 85 PRO HG3 . 15225 1 975 . 1 1 85 85 PRO C C 13 176.412 0.300 . 1 . . . . 85 PRO C . 15225 1 976 . 1 1 85 85 PRO CA C 13 63.081 0.300 . 1 . . . . 85 PRO CA . 15225 1 977 . 1 1 85 85 PRO CB C 13 31.585 0.300 . 1 . . . . 85 PRO CB . 15225 1 978 . 1 1 85 85 PRO CD C 13 50.456 0.300 . 1 . . . . 85 PRO CD . 15225 1 979 . 1 1 85 85 PRO CG C 13 26.461 0.300 . 1 . . . . 85 PRO CG . 15225 1 980 . 1 1 86 86 LEU H H 1 8.257 0.020 . 1 . . . . 86 LEU H . 15225 1 981 . 1 1 86 86 LEU HA H 1 4.182 0.020 . 1 . . . . 86 LEU HA . 15225 1 982 . 1 1 86 86 LEU HB2 H 1 1.625 0.020 . 1 . . . . 86 LEU HB2 . 15225 1 983 . 1 1 86 86 LEU HB3 H 1 1.504 0.020 . 1 . . . . 86 LEU HB3 . 15225 1 984 . 1 1 86 86 LEU HD11 H 1 0.812 0.020 . 1 . . . . 86 LEU HD1 . 15225 1 985 . 1 1 86 86 LEU HD12 H 1 0.812 0.020 . 1 . . . . 86 LEU HD1 . 15225 1 986 . 1 1 86 86 LEU HD13 H 1 0.812 0.020 . 1 . . . . 86 LEU HD1 . 15225 1 987 . 1 1 86 86 LEU HD21 H 1 0.812 0.020 . 1 . . . . 86 LEU HD2 . 15225 1 988 . 1 1 86 86 LEU HD22 H 1 0.812 0.020 . 1 . . . . 86 LEU HD2 . 15225 1 989 . 1 1 86 86 LEU HD23 H 1 0.812 0.020 . 1 . . . . 86 LEU HD2 . 15225 1 990 . 1 1 86 86 LEU HG H 1 1.504 0.020 . 1 . . . . 86 LEU HG . 15225 1 991 . 1 1 86 86 LEU C C 13 177.032 0.300 . 1 . . . . 86 LEU C . 15225 1 992 . 1 1 86 86 LEU CA C 13 55.100 0.300 . 1 . . . . 86 LEU CA . 15225 1 993 . 1 1 86 86 LEU CB C 13 41.133 0.300 . 1 . . . . 86 LEU CB . 15225 1 994 . 1 1 86 86 LEU CD1 C 13 23.671 0.300 . 1 . . . . 86 LEU CD1 . 15225 1 995 . 1 1 86 86 LEU CD2 C 13 23.671 0.300 . 1 . . . . 86 LEU CD2 . 15225 1 996 . 1 1 86 86 LEU CG C 13 26.489 0.300 . 1 . . . . 86 LEU CG . 15225 1 997 . 1 1 86 86 LEU N N 15 120.660 0.300 . 1 . . . . 86 LEU N . 15225 1 998 . 1 1 87 87 VAL H H 1 7.702 0.020 . 1 . . . . 87 VAL H . 15225 1 999 . 1 1 87 87 VAL HA H 1 3.978 0.020 . 1 . . . . 87 VAL HA . 15225 1 1000 . 1 1 87 87 VAL HB H 1 1.971 0.020 . 1 . . . . 87 VAL HB . 15225 1 1001 . 1 1 87 87 VAL HG11 H 1 0.848 0.020 . 1 . . . . 87 VAL HG1 . 15225 1 1002 . 1 1 87 87 VAL HG12 H 1 0.848 0.020 . 1 . . . . 87 VAL HG1 . 15225 1 1003 . 1 1 87 87 VAL HG13 H 1 0.848 0.020 . 1 . . . . 87 VAL HG1 . 15225 1 1004 . 1 1 87 87 VAL HG21 H 1 0.848 0.020 . 1 . . . . 87 VAL HG2 . 15225 1 1005 . 1 1 87 87 VAL HG22 H 1 0.848 0.020 . 1 . . . . 87 VAL HG2 . 15225 1 1006 . 1 1 87 87 VAL HG23 H 1 0.848 0.020 . 1 . . . . 87 VAL HG2 . 15225 1 1007 . 1 1 87 87 VAL C C 13 175.671 0.300 . 1 . . . . 87 VAL C . 15225 1 1008 . 1 1 87 87 VAL CA C 13 61.965 0.300 . 1 . . . . 87 VAL CA . 15225 1 1009 . 1 1 87 87 VAL CB C 13 32.217 0.300 . 1 . . . . 87 VAL CB . 15225 1 1010 . 1 1 87 87 VAL CG1 C 13 19.888 0.300 . 1 . . . . 87 VAL CG1 . 15225 1 1011 . 1 1 87 87 VAL CG2 C 13 19.888 0.300 . 1 . . . . 87 VAL CG2 . 15225 1 1012 . 1 1 87 87 VAL N N 15 120.063 0.300 . 1 . . . . 87 VAL N . 15225 1 1013 . 1 1 88 88 GLU H H 1 8.561 0.020 . 1 . . . . 88 GLU H . 15225 1 1014 . 1 1 88 88 GLU HA H 1 4.225 0.020 . 1 . . . . 88 GLU HA . 15225 1 1015 . 1 1 88 88 GLU HB2 H 1 2.098 0.020 . 1 . . . . 88 GLU HB2 . 15225 1 1016 . 1 1 88 88 GLU HB3 H 1 2.098 0.020 . 1 . . . . 88 GLU HB3 . 15225 1 1017 . 1 1 88 88 GLU HG2 H 1 2.532 0.020 . 1 . . . . 88 GLU HG2 . 15225 1 1018 . 1 1 88 88 GLU HG3 H 1 2.532 0.020 . 1 . . . . 88 GLU HG3 . 15225 1 1019 . 1 1 88 88 GLU C C 13 175.776 0.300 . 1 . . . . 88 GLU C . 15225 1 1020 . 1 1 88 88 GLU CA C 13 56.231 0.300 . 1 . . . . 88 GLU CA . 15225 1 1021 . 1 1 88 88 GLU CB C 13 29.557 0.300 . 1 . . . . 88 GLU CB . 15225 1 1022 . 1 1 88 88 GLU CG C 13 35.830 0.300 . 1 . . . . 88 GLU CG . 15225 1 1023 . 1 1 88 88 GLU N N 15 124.778 0.300 . 1 . . . . 88 GLU N . 15225 1 1024 . 1 1 89 89 THR H H 1 7.948 0.020 . 1 . . . . 89 THR H . 15225 1 1025 . 1 1 89 89 THR HA H 1 4.208 0.020 . 1 . . . . 89 THR HA . 15225 1 1026 . 1 1 89 89 THR HB H 1 4.100 0.020 . 1 . . . . 89 THR HB . 15225 1 1027 . 1 1 89 89 THR HG21 H 1 1.067 0.020 . 1 . . . . 89 THR HG2 . 15225 1 1028 . 1 1 89 89 THR HG22 H 1 1.067 0.020 . 1 . . . . 89 THR HG2 . 15225 1 1029 . 1 1 89 89 THR HG23 H 1 1.067 0.020 . 1 . . . . 89 THR HG2 . 15225 1 1030 . 1 1 89 89 THR C C 13 173.643 0.300 . 1 . . . . 89 THR C . 15225 1 1031 . 1 1 89 89 THR CA C 13 61.707 0.300 . 1 . . . . 89 THR CA . 15225 1 1032 . 1 1 89 89 THR CB C 13 69.105 0.300 . 1 . . . . 89 THR CB . 15225 1 1033 . 1 1 89 89 THR CG2 C 13 20.852 0.300 . 1 . . . . 89 THR CG2 . 15225 1 1034 . 1 1 89 89 THR N N 15 114.949 0.300 . 1 . . . . 89 THR N . 15225 1 1035 . 1 1 90 90 TRP H H 1 7.847 0.020 . 1 . . . . 90 TRP H . 15225 1 1036 . 1 1 90 90 TRP HA H 1 4.492 0.020 . 1 . . . . 90 TRP HA . 15225 1 1037 . 1 1 90 90 TRP HB2 H 1 3.186 0.020 . 1 . . . . 90 TRP HB2 . 15225 1 1038 . 1 1 90 90 TRP HB3 H 1 3.186 0.020 . 1 . . . . 90 TRP HB3 . 15225 1 1039 . 1 1 90 90 TRP HE1 H 1 10.073 0.020 . 1 . . . . 90 TRP HD1 . 15225 1 1040 . 1 1 90 90 TRP C C 13 176.036 0.300 . 1 . . . . 90 TRP C . 15225 1 1041 . 1 1 90 90 TRP CA C 13 57.051 0.300 . 1 . . . . 90 TRP CA . 15225 1 1042 . 1 1 90 90 TRP CB C 13 28.841 0.300 . 1 . . . . 90 TRP CB . 15225 1 1043 . 1 1 90 90 TRP N N 15 122.121 0.300 . 1 . . . . 90 TRP N . 15225 1 1044 . 1 1 90 90 TRP NE1 N 15 129.367 0.300 . 1 . . . . 90 TRP NE1 . 15225 1 1045 . 1 1 91 91 LYS H H 1 7.676 0.020 . 1 . . . . 91 LYS H . 15225 1 1046 . 1 1 91 91 LYS HA H 1 4.084 0.020 . 1 . . . . 91 LYS HA . 15225 1 1047 . 1 1 91 91 LYS HB2 H 1 1.544 0.020 . 1 . . . . 91 LYS HB2 . 15225 1 1048 . 1 1 91 91 LYS HB3 H 1 1.544 0.020 . 1 . . . . 91 LYS HB3 . 15225 1 1049 . 1 1 91 91 LYS HD2 H 1 1.438 0.020 . 1 . . . . 91 LYS HD2 . 15225 1 1050 . 1 1 91 91 LYS HD3 H 1 1.438 0.020 . 1 . . . . 91 LYS HD3 . 15225 1 1051 . 1 1 91 91 LYS HE2 H 1 2.809 0.020 . 1 . . . . 91 LYS HE2 . 15225 1 1052 . 1 1 91 91 LYS HE3 H 1 2.809 0.020 . 1 . . . . 91 LYS HE3 . 15225 1 1053 . 1 1 91 91 LYS HG2 H 1 1.036 0.020 . 1 . . . . 91 LYS HG2 . 15225 1 1054 . 1 1 91 91 LYS HG3 H 1 1.036 0.020 . 1 . . . . 91 LYS HG3 . 15225 1 1055 . 1 1 91 91 LYS C C 13 174.798 0.300 . 1 . . . . 91 LYS C . 15225 1 1056 . 1 1 91 91 LYS CA C 13 55.389 0.300 . 1 . . . . 91 LYS CA . 15225 1 1057 . 1 1 91 91 LYS CB C 13 32.395 0.300 . 1 . . . . 91 LYS CB . 15225 1 1058 . 1 1 91 91 LYS CD C 13 28.664 0.300 . 1 . . . . 91 LYS CD . 15225 1 1059 . 1 1 91 91 LYS CE C 13 41.659 0.300 . 1 . . . . 91 LYS CE . 15225 1 1060 . 1 1 91 91 LYS CG C 13 24.002 0.300 . 1 . . . . 91 LYS CG . 15225 1 1061 . 1 1 91 91 LYS N N 15 123.250 0.300 . 1 . . . . 91 LYS N . 15225 1 1062 . 1 1 92 92 LYS H H 1 8.035 0.020 . 1 . . . . 92 LYS H . 15225 1 1063 . 1 1 92 92 LYS HA H 1 4.213 0.020 . 1 . . . . 92 LYS HA . 15225 1 1064 . 1 1 92 92 LYS HB2 H 1 1.768 0.020 . 1 . . . . 92 LYS HB2 . 15225 1 1065 . 1 1 92 92 LYS HB3 H 1 1.699 0.020 . 1 . . . . 92 LYS HB3 . 15225 1 1066 . 1 1 92 92 LYS HD2 H 1 1.757 0.020 . 1 . . . . 92 LYS HD2 . 15225 1 1067 . 1 1 92 92 LYS HD3 H 1 1.757 0.020 . 1 . . . . 92 LYS HD3 . 15225 1 1068 . 1 1 92 92 LYS HE2 H 1 3.076 0.020 . 1 . . . . 92 LYS HE2 . 15225 1 1069 . 1 1 92 92 LYS HE3 H 1 3.004 0.020 . 1 . . . . 92 LYS HE3 . 15225 1 1070 . 1 1 92 92 LYS HG2 H 1 1.518 0.020 . 1 . . . . 92 LYS HG2 . 15225 1 1071 . 1 1 92 92 LYS HG3 H 1 1.518 0.020 . 1 . . . . 92 LYS HG3 . 15225 1 1072 . 1 1 92 92 LYS CA C 13 55.484 0.300 . 1 . . . . 92 LYS CA . 15225 1 1073 . 1 1 92 92 LYS CB C 13 29.868 0.300 . 1 . . . . 92 LYS CB . 15225 1 1074 . 1 1 92 92 LYS CD C 13 29.710 0.300 . 1 . . . . 92 LYS CD . 15225 1 1075 . 1 1 92 92 LYS CE C 13 42.855 0.300 . 1 . . . . 92 LYS CE . 15225 1 1076 . 1 1 92 92 LYS CG C 13 26.872 0.300 . 1 . . . . 92 LYS CG . 15225 1 1077 . 1 1 92 92 LYS N N 15 124.114 0.300 . 1 . . . . 92 LYS N . 15225 1 1078 . 1 1 93 93 PRO HA H 1 4.191 0.020 . 1 . . . . 93 PRO HA . 15225 1 1079 . 1 1 93 93 PRO HB2 H 1 2.189 0.020 . 1 . . . . 93 PRO HB2 . 15225 1 1080 . 1 1 93 93 PRO HB3 H 1 2.189 0.020 . 1 . . . . 93 PRO HB3 . 15225 1 1081 . 1 1 93 93 PRO HD2 H 1 3.537 0.020 . 1 . . . . 93 PRO HD2 . 15225 1 1082 . 1 1 93 93 PRO HD3 H 1 3.537 0.020 . 1 . . . . 93 PRO HD3 . 15225 1 1083 . 1 1 93 93 PRO HG2 H 1 1.881 0.020 . 1 . . . . 93 PRO HG2 . 15225 1 1084 . 1 1 93 93 PRO HG3 H 1 1.881 0.020 . 1 . . . . 93 PRO HG3 . 15225 1 1085 . 1 1 93 93 PRO C C 13 175.822 0.300 . 1 . . . . 93 PRO C . 15225 1 1086 . 1 1 93 93 PRO CA C 13 62.921 0.300 . 1 . . . . 93 PRO CA . 15225 1 1087 . 1 1 93 93 PRO CB C 13 31.681 0.300 . 1 . . . . 93 PRO CB . 15225 1 1088 . 1 1 93 93 PRO CG C 13 26.818 0.300 . 1 . . . . 93 PRO CG . 15225 1 1089 . 1 1 94 94 ASP H H 1 8.248 0.020 . 1 . . . . 94 ASP H . 15225 1 1090 . 1 1 94 94 ASP HA H 1 4.400 0.020 . 1 . . . . 94 ASP HA . 15225 1 1091 . 1 1 94 94 ASP HB2 H 1 2.533 0.020 . 1 . . . . 94 ASP HB2 . 15225 1 1092 . 1 1 94 94 ASP HB3 H 1 2.533 0.020 . 1 . . . . 94 ASP HB3 . 15225 1 1093 . 1 1 94 94 ASP C C 13 175.560 0.300 . 1 . . . . 94 ASP C . 15225 1 1094 . 1 1 94 94 ASP CA C 13 53.842 0.300 . 1 . . . . 94 ASP CA . 15225 1 1095 . 1 1 94 94 ASP CB C 13 40.299 0.300 . 1 . . . . 94 ASP CB . 15225 1 1096 . 1 1 94 94 ASP N N 15 119.996 0.300 . 1 . . . . 94 ASP N . 15225 1 1097 . 1 1 95 95 TYR H H 1 7.855 0.020 . 1 . . . . 95 TYR H . 15225 1 1098 . 1 1 95 95 TYR HA H 1 4.378 0.020 . 1 . . . . 95 TYR HA . 15225 1 1099 . 1 1 95 95 TYR HB2 H 1 2.748 0.020 . 1 . . . . 95 TYR HB2 . 15225 1 1100 . 1 1 95 95 TYR HB3 H 1 2.659 0.020 . 1 . . . . 95 TYR HB3 . 15225 1 1101 . 1 1 95 95 TYR C C 13 175.644 0.300 . 1 . . . . 95 TYR C . 15225 1 1102 . 1 1 95 95 TYR CA C 13 57.559 0.300 . 1 . . . . 95 TYR CA . 15225 1 1103 . 1 1 95 95 TYR CB C 13 38.269 0.300 . 1 . . . . 95 TYR CB . 15225 1 1104 . 1 1 95 95 TYR N N 15 119.664 0.300 . 1 . . . . 95 TYR N . 15225 1 1105 . 1 1 96 96 GLU H H 1 8.148 0.020 . 1 . . . . 96 GLU H . 15225 1 1106 . 1 1 96 96 GLU HA H 1 4.037 0.020 . 1 . . . . 96 GLU HA . 15225 1 1107 . 1 1 96 96 GLU HB2 H 1 1.819 0.020 . 1 . . . . 96 GLU HB2 . 15225 1 1108 . 1 1 96 96 GLU HB3 H 1 1.811 0.020 . 1 . . . . 96 GLU HB3 . 15225 1 1109 . 1 1 96 96 GLU HG2 H 1 2.182 0.020 . 1 . . . . 96 GLU HG2 . 15225 1 1110 . 1 1 96 96 GLU HG3 H 1 2.181 0.020 . 1 . . . . 96 GLU HG3 . 15225 1 1111 . 1 1 96 96 GLU CA C 13 55.958 0.300 . 1 . . . . 96 GLU CA . 15225 1 1112 . 1 1 96 96 GLU CB C 13 29.503 0.300 . 1 . . . . 96 GLU CB . 15225 1 1113 . 1 1 96 96 GLU CG C 13 35.653 0.300 . 1 . . . . 96 GLU CG . 15225 1 1114 . 1 1 96 96 GLU N N 15 121.709 0.300 . 1 . . . . 96 GLU N . 15225 1 stop_ save_