data_17425 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17425 _Entry.Title ; Staphylococcus aureus pathogenicity island 1 protein gp6, an internal scaffold in size determination ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-31 _Entry.Accession_date 2011-01-31 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Altaira Dearborn . D. . 17425 2 Michael Spilman . S. . 17425 3 Priyadarshan Damle . K. . 17425 4 Jenny Chang . R. . 17425 5 Eric Monroe . B. . 17425 6 Jamil Saad . S. . 17425 7 Gail Christie . E. . 17425 8 Terje Dokland . . . 17425 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17425 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID bacteriophage . 17425 pathogenicity . 17425 sapi . 17425 scaffold . 17425 'size determination' . 17425 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17425 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 212 17425 '15N chemical shifts' 70 17425 '1H chemical shifts' 419 17425 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 . . 2012-03-09 2011-01-24 update BMRB 'update entry citation' 17425 1 . . 2011-08-17 2011-01-24 original author 'original release' 17425 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L8T 'BMRB Entry Tracking System' 17425 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17425 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21821042 _Citation.Full_citation . _Citation.Title 'The Staphylococcus aureus pathogenicity island 1 protein gp6 functions as an internal scaffold during capsid size determination.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 412 _Citation.Journal_issue 4 _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 710 _Citation.Page_last 722 _Citation.Year 2011 _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 Altaira Dearborn . D. . 17425 1 2 Michael Spilman . S. . 17425 1 3 Priyadarshan Damle . K. . 17425 1 4 Jenny Chang . R. . 17425 1 5 Eric Monroe . B. . 17425 1 6 Jamil Saad . S. . 17425 1 7 Gail Christie . E. . 17425 1 8 Terje Dokland . . . 17425 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17425 _Assembly.ID 1 _Assembly.Name 'island 1 protein gp6' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'island 1 protein gp6' 1 $gp6 A . yes native no no . . . 17425 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_gp6 _Entity.Sf_category entity _Entity.Sf_framecode gp6 _Entity.Entry_ID 17425 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ETKYELNNTKKVANAFGLNE EDTNLLINAVDLDIKNNMQE ISSELQQSEQSKQKQYGTTL QNLAKQNRIIK ; _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 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8150.116 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 PDB 2L8T . "Staphylococcus Aureus Pathogenicity Island 1 Protein Gp6, An Internal Scaffold In Size Determination" . . . . . 100.00 71 100.00 100.00 4.48e-40 . . . . 17425 1 2 no DBJ BAB43103 . "hypothetical protein [Staphylococcus aureus subsp. aureus N315]" . . . . . 100.00 72 98.59 98.59 2.71e-39 . . . . 17425 1 3 no DBJ BAB56959 . "hypothetical protein [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 100.00 72 98.59 98.59 2.71e-39 . . . . 17425 1 4 no DBJ BAB58178 . "hypothetical protein [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 100.00 72 98.59 98.59 2.71e-39 . . . . 17425 1 5 no DBJ BAF77676 . "hypothetical protein SAHV_0793 [Staphylococcus aureus subsp. aureus Mu3]" . . . . . 100.00 72 98.59 98.59 2.71e-39 . . . . 17425 1 6 no DBJ BAF78884 . "hypothetical protein SAHV_2001 [Staphylococcus aureus subsp. aureus Mu3]" . . . . . 100.00 72 98.59 98.59 2.71e-39 . . . . 17425 1 7 no EMBL CBI48784 . "pathogenicity island protein [Staphylococcus aureus subsp. aureus TW20]" . . . . . 100.00 72 98.59 98.59 3.71e-39 . . . . 17425 1 8 no EMBL CEH25196 . "Hypothetical SAV0797 homolog in superantigen-encoding pathogenicity islands SaPI [Staphylococcus aureus]" . . . . . 100.00 72 100.00 100.00 4.31e-40 . . . . 17425 1 9 no EMBL CEH25509 . "Hypothetical SAV0797 homolog in superantigen-encoding pathogenicity islands SaPI [Staphylococcus aureus]" . . . . . 100.00 72 100.00 100.00 4.31e-40 . . . . 17425 1 10 no EMBL CEZ61431 . "hypothetical mobile element-associated protein [Staphylococcus aureus]" . . . . . 100.00 72 97.18 97.18 7.05e-38 . . . . 17425 1 11 no EMBL CFA52483 . "hypothetical mobile element-associated protein [Staphylococcus aureus]" . . . . . 100.00 72 98.59 98.59 2.71e-39 . . . . 17425 1 12 no GB AAC28957 . "orf6 [Staphylococcus aureus]" . . . . . 100.00 72 100.00 100.00 4.31e-40 . . . . 17425 1 13 no GB AAL04130 . "unknown [Staphylococcus aureus subsp. aureus COL]" . . . . . 100.00 72 97.18 97.18 7.05e-38 . . . . 17425 1 14 no GB AAW37873 . "pathogenicity island protein [Staphylococcus aureus subsp. aureus COL]" . . . . . 100.00 72 97.18 97.18 7.05e-38 . . . . 17425 1 15 no GB ABJ97292 . "hypothetical protein [Staphylococcus aureus]" . . . . . 100.00 72 100.00 100.00 4.31e-40 . . . . 17425 1 16 no GB ACY10719 . "pathogenicity island protein ORF8 [Staphylococcus aureus subsp. aureus ED98]" . . . . . 100.00 72 97.18 97.18 2.54e-38 . . . . 17425 1 17 no REF WP_000404187 . "hypothetical protein [Staphylococcus aureus]" . . . . . 100.00 72 97.18 97.18 2.54e-38 . . . . 17425 1 18 no REF WP_000448101 . "hypothetical protein [Staphylococcus aureus]" . . . . . 100.00 72 97.18 97.18 7.05e-38 . . . . 17425 1 19 no REF WP_000448770 . "hypothetical protein [Staphylococcus aureus]" . . . . . 100.00 72 98.59 98.59 2.71e-39 . . . . 17425 1 20 no REF WP_000448771 . "hypothetical protein [Staphylococcus aureus]" . . . . . 100.00 72 98.59 98.59 1.28e-39 . . . . 17425 1 21 no REF WP_000448772 . "hypothetical protein [Staphylococcus aureus]" . . . . . 100.00 72 98.59 98.59 5.03e-39 . . . . 17425 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 2 GLU . 17425 1 2 3 THR . 17425 1 3 4 LYS . 17425 1 4 5 TYR . 17425 1 5 6 GLU . 17425 1 6 7 LEU . 17425 1 7 8 ASN . 17425 1 8 9 ASN . 17425 1 9 10 THR . 17425 1 10 11 LYS . 17425 1 11 12 LYS . 17425 1 12 13 VAL . 17425 1 13 14 ALA . 17425 1 14 15 ASN . 17425 1 15 16 ALA . 17425 1 16 17 PHE . 17425 1 17 18 GLY . 17425 1 18 19 LEU . 17425 1 19 20 ASN . 17425 1 20 21 GLU . 17425 1 21 22 GLU . 17425 1 22 23 ASP . 17425 1 23 24 THR . 17425 1 24 25 ASN . 17425 1 25 26 LEU . 17425 1 26 27 LEU . 17425 1 27 28 ILE . 17425 1 28 29 ASN . 17425 1 29 30 ALA . 17425 1 30 31 VAL . 17425 1 31 32 ASP . 17425 1 32 33 LEU . 17425 1 33 34 ASP . 17425 1 34 35 ILE . 17425 1 35 36 LYS . 17425 1 36 37 ASN . 17425 1 37 38 ASN . 17425 1 38 39 MET . 17425 1 39 40 GLN . 17425 1 40 41 GLU . 17425 1 41 42 ILE . 17425 1 42 43 SER . 17425 1 43 44 SER . 17425 1 44 45 GLU . 17425 1 45 46 LEU . 17425 1 46 47 GLN . 17425 1 47 48 GLN . 17425 1 48 49 SER . 17425 1 49 50 GLU . 17425 1 50 51 GLN . 17425 1 51 52 SER . 17425 1 52 53 LYS . 17425 1 53 54 GLN . 17425 1 54 55 LYS . 17425 1 55 56 GLN . 17425 1 56 57 TYR . 17425 1 57 58 GLY . 17425 1 58 59 THR . 17425 1 59 60 THR . 17425 1 60 61 LEU . 17425 1 61 62 GLN . 17425 1 62 63 ASN . 17425 1 63 64 LEU . 17425 1 64 65 ALA . 17425 1 65 66 LYS . 17425 1 66 67 GLN . 17425 1 67 68 ASN . 17425 1 68 69 ARG . 17425 1 69 70 ILE . 17425 1 70 71 ILE . 17425 1 71 72 LYS . 17425 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 . GLU 1 1 17425 1 . THR 2 2 17425 1 . LYS 3 3 17425 1 . TYR 4 4 17425 1 . GLU 5 5 17425 1 . LEU 6 6 17425 1 . ASN 7 7 17425 1 . ASN 8 8 17425 1 . THR 9 9 17425 1 . LYS 10 10 17425 1 . LYS 11 11 17425 1 . VAL 12 12 17425 1 . ALA 13 13 17425 1 . ASN 14 14 17425 1 . ALA 15 15 17425 1 . PHE 16 16 17425 1 . GLY 17 17 17425 1 . LEU 18 18 17425 1 . ASN 19 19 17425 1 . GLU 20 20 17425 1 . GLU 21 21 17425 1 . ASP 22 22 17425 1 . THR 23 23 17425 1 . ASN 24 24 17425 1 . LEU 25 25 17425 1 . LEU 26 26 17425 1 . ILE 27 27 17425 1 . ASN 28 28 17425 1 . ALA 29 29 17425 1 . VAL 30 30 17425 1 . ASP 31 31 17425 1 . LEU 32 32 17425 1 . ASP 33 33 17425 1 . ILE 34 34 17425 1 . LYS 35 35 17425 1 . ASN 36 36 17425 1 . ASN 37 37 17425 1 . MET 38 38 17425 1 . GLN 39 39 17425 1 . GLU 40 40 17425 1 . ILE 41 41 17425 1 . SER 42 42 17425 1 . SER 43 43 17425 1 . GLU 44 44 17425 1 . LEU 45 45 17425 1 . GLN 46 46 17425 1 . GLN 47 47 17425 1 . SER 48 48 17425 1 . GLU 49 49 17425 1 . GLN 50 50 17425 1 . SER 51 51 17425 1 . LYS 52 52 17425 1 . GLN 53 53 17425 1 . LYS 54 54 17425 1 . GLN 55 55 17425 1 . TYR 56 56 17425 1 . GLY 57 57 17425 1 . THR 58 58 17425 1 . THR 59 59 17425 1 . LEU 60 60 17425 1 . GLN 61 61 17425 1 . ASN 62 62 17425 1 . LEU 63 63 17425 1 . ALA 64 64 17425 1 . LYS 65 65 17425 1 . GLN 66 66 17425 1 . ASN 67 67 17425 1 . ARG 68 68 17425 1 . ILE 69 69 17425 1 . ILE 70 70 17425 1 . LYS 71 71 17425 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 17425 _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 $gp6 . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . . . . . . . . . 17425 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 17425 _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 $gp6 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pHis6 . . . . . . 17425 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17425 _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 entity '[U-99% 15N]' . . 1 $gp6 . . 1 . . mM . . . . 17425 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 17425 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17425 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17425 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17425 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17425 _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 entity '[U-99% 13C; U-99% 15N]' . . 1 $gp6 . . 1 . . mM . . . . 17425 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 17425 2 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17425 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17425 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17425 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 17425 _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' 200 . mM 17425 1 pH 7.0 . pH 17425 1 pressure 1 . atm 17425 1 temperature 303 . K 17425 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17425 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17425 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17425 1 'peak picking' 17425 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17425 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17425 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17425 2 'structure solution' 17425 2 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 17425 _Software.ID 3 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 17425 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17425 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17425 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17425 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17425 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17425 _Software.ID 5 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17425 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17425 5 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 17425 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Ultrashield Plus' _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 17425 _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 'Ultrashield Plus' . 700 . . . 17425 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 17425 _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 . . . . . . . . . . . . . . . . 17425 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17425 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17425 1 4 '3D HN(COCA)CB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17425 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17425 1 6 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17425 1 7 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17425 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 17425 _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 TMS 'methyl carbons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 17425 1 H 1 water protons . . . . ppm 4.706 internal direct 1.0 . . . . . . . . . 17425 1 N 15 urea nitrogen . . . . ppm 0 external direct 1.0 . . . . . . . . . 17425 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 17425 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D 1H-15N TOCSY' . . . 17425 1 3 '3D 1H-15N NOESY' . . . 17425 1 4 '3D HN(COCA)CB' . . . 17425 1 5 '3D HN(CO)CA' . . . 17425 1 6 '3D HNCA' . . . 17425 1 7 '3D HNCACB' . . . 17425 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 1 1 GLU HA H 1 4.2850 0.02 . 1 . . . A 2 GLU HA . 17425 1 2 . 1 1 1 1 GLU HB2 H 1 1.9789 0.02 . 1 . . . A 2 GLU HB2 . 17425 1 3 . 1 1 1 1 GLU HB3 H 1 1.8391 0.02 . 1 . . . A 2 GLU HB3 . 17425 1 4 . 1 1 1 1 GLU HG2 H 1 2.3000 0.02 . 1 . . . A 2 GLU HG2 . 17425 1 5 . 1 1 1 1 GLU HG3 H 1 2.1540 0.02 . 1 . . . A 2 GLU HG3 . 17425 1 6 . 1 1 1 1 GLU H H 1 8.3259 0.02 . 1 . . . A 2 GLU H1 . 17425 1 7 . 1 1 1 1 GLU CA C 13 50.1064 0.05 . 1 . . . A 2 GLU CA . 17425 1 8 . 1 1 1 1 GLU CB C 13 27.7456 0.05 . 1 . . . A 2 GLU CB . 17425 1 9 . 1 1 1 1 GLU CG C 13 38.4166 0.05 . 1 . . . A 2 GLU CG . 17425 1 10 . 1 1 1 1 GLU N N 15 122.8506 0.05 . 1 . . . A 2 GLU N . 17425 1 11 . 1 1 2 2 THR H H 1 8.1010 0.02 . 1 . . . A 3 THR H . 17425 1 12 . 1 1 2 2 THR HA H 1 4.2621 0.02 . 1 . . . A 3 THR HA . 17425 1 13 . 1 1 2 2 THR HB H 1 4.0084 0.02 . 1 . . . A 3 THR HB . 17425 1 14 . 1 1 2 2 THR HG21 H 1 1.0750 0.02 . 1 . . . A 3 THR HG21 . 17425 1 15 . 1 1 2 2 THR HG22 H 1 1.0750 0.02 . 1 . . . A 3 THR HG21 . 17425 1 16 . 1 1 2 2 THR HG23 H 1 1.0750 0.02 . 1 . . . A 3 THR HG21 . 17425 1 17 . 1 1 2 2 THR CA C 13 58.9028 0.05 . 1 . . . A 3 THR CA . 17425 1 18 . 1 1 2 2 THR CB C 13 67.0477 0.05 . 1 . . . A 3 THR CB . 17425 1 19 . 1 1 2 2 THR CG2 C 13 18.3914 0.05 . 1 . . . A 3 THR CG2 . 17425 1 20 . 1 1 2 2 THR N N 15 116.5329 0.05 . 1 . . . A 3 THR N . 17425 1 21 . 1 1 3 3 LYS H H 1 8.5560 0.02 . 1 . . . A 4 LYS H . 17425 1 22 . 1 1 3 3 LYS HA H 1 4.1779 0.02 . 1 . . . A 4 LYS HA . 17425 1 23 . 1 1 3 3 LYS HB2 H 1 1.5722 0.02 . 1 . . . A 4 LYS HB2 . 17425 1 24 . 1 1 3 3 LYS HB3 H 1 1.4862 0.02 . 1 . . . A 4 LYS HB3 . 17425 1 25 . 1 1 3 3 LYS HG2 H 1 1.4870 0.02 . 1 . . . A 4 LYS HG2 . 17425 1 26 . 1 1 3 3 LYS HG3 H 1 1.4870 0.02 . 1 . . . A 4 LYS HG3 . 17425 1 27 . 1 1 3 3 LYS HD2 H 1 1.1160 0.02 . 1 . . . A 4 LYS HD2 . 17425 1 28 . 1 1 3 3 LYS HD3 H 1 1.1160 0.02 . 1 . . . A 4 LYS HD3 . 17425 1 29 . 1 1 3 3 LYS CA C 13 53.4828 0.05 . 1 . . . A 4 LYS CA . 17425 1 30 . 1 1 3 3 LYS CB C 13 30.4012 0.05 . 1 . . . A 4 LYS CB . 17425 1 31 . 1 1 3 3 LYS CG C 13 26.0116 0.05 . 1 . . . A 4 LYS CG . 17425 1 32 . 1 1 3 3 LYS CD C 13 21.7511 0.05 . 1 . . . A 4 LYS CD . 17425 1 33 . 1 1 3 3 LYS N N 15 124.7803 0.05 . 1 . . . A 4 LYS N . 17425 1 34 . 1 1 4 4 TYR H H 1 7.9730 0.02 . 1 . . . A 5 TYR H . 17425 1 35 . 1 1 4 4 TYR HA H 1 4.5859 0.02 . 1 . . . A 5 TYR HA . 17425 1 36 . 1 1 4 4 TYR HB2 H 1 2.7886 0.02 . 1 . . . A 5 TYR HB2 . 17425 1 37 . 1 1 4 4 TYR HB3 H 1 2.6232 0.02 . 1 . . . A 5 TYR HB3 . 17425 1 38 . 1 1 4 4 TYR HD1 H 1 6.9770 0.02 . 1 . . . A 5 TYR HD1 . 17425 1 39 . 1 1 4 4 TYR HD2 H 1 6.9770 0.02 . 1 . . . A 5 TYR HD2 . 17425 1 40 . 1 1 4 4 TYR HE1 H 1 6.6910 0.02 . 1 . . . A 5 TYR HE1 . 17425 1 41 . 1 1 4 4 TYR HE2 H 1 6.6910 0.02 . 1 . . . A 5 TYR HE2 . 17425 1 42 . 1 1 4 4 TYR CA C 13 54.1074 0.05 . 1 . . . A 5 TYR CA . 17425 1 43 . 1 1 4 4 TYR CB C 13 36.4555 0.05 . 1 . . . A 5 TYR CB . 17425 1 44 . 1 1 4 4 TYR CD1 C 13 130.0100 0.05 . 1 . . . A 5 TYR CD1 . 17425 1 45 . 1 1 4 4 TYR CD2 C 13 130.0100 0.05 . 1 . . . A 5 TYR CD2 . 17425 1 46 . 1 1 4 4 TYR CE1 C 13 115.7880 0.05 . 1 . . . A 5 TYR CE1 . 17425 1 47 . 1 1 4 4 TYR CE2 C 13 115.7880 0.05 . 1 . . . A 5 TYR CE2 . 17425 1 48 . 1 1 4 4 TYR N N 15 120.0641 0.05 . 1 . . . A 5 TYR N . 17425 1 49 . 1 1 5 5 GLU H H 1 8.6290 0.02 . 1 . . . A 6 GLU H . 17425 1 50 . 1 1 5 5 GLU HA H 1 4.4114 0.02 . 1 . . . A 6 GLU HA . 17425 1 51 . 1 1 5 5 GLU HB2 H 1 2.0606 0.02 . 1 . . . A 6 GLU HB2 . 17425 1 52 . 1 1 5 5 GLU HB3 H 1 1.9820 0.02 . 1 . . . A 6 GLU HB3 . 17425 1 53 . 1 1 5 5 GLU HG2 H 1 2.2320 0.02 . 1 . . . A 6 GLU HG2 . 17425 1 54 . 1 1 5 5 GLU HG3 H 1 2.2320 0.02 . 1 . . . A 6 GLU HG3 . 17425 1 55 . 1 1 5 5 GLU CA C 13 53.1226 0.05 . 1 . . . A 6 GLU CA . 17425 1 56 . 1 1 5 5 GLU CB C 13 27.6386 0.05 . 1 . . . A 6 GLU CB . 17425 1 57 . 1 1 5 5 GLU CG C 13 33.3232 0.05 . 1 . . . A 6 GLU CG . 17425 1 58 . 1 1 5 5 GLU N N 15 121.7818 0.05 . 1 . . . A 6 GLU N . 17425 1 59 . 1 1 6 6 LEU HA H 1 4.5058 0.02 . 1 . . . A 7 LEU HA . 17425 1 60 . 1 1 6 6 LEU HB2 H 1 1.6827 0.02 . 1 . . . A 7 LEU HB2 . 17425 1 61 . 1 1 6 6 LEU HB3 H 1 1.5322 0.02 . 1 . . . A 7 LEU HB3 . 17425 1 62 . 1 1 6 6 LEU HG H 1 1.6454 0.02 . 1 . . . A 7 LEU HG . 17425 1 63 . 1 1 6 6 LEU HD11 H 1 1.0167 0.02 . 1 . . . A 7 LEU HD11 . 17425 1 64 . 1 1 6 6 LEU HD12 H 1 1.0167 0.02 . 1 . . . A 7 LEU HD11 . 17425 1 65 . 1 1 6 6 LEU HD13 H 1 1.0167 0.02 . 1 . . . A 7 LEU HD11 . 17425 1 66 . 1 1 6 6 LEU CA C 13 50.0819 0.05 . 1 . . . A 7 LEU CA . 17425 1 67 . 1 1 6 6 LEU CB C 13 37.0327 0.05 . 1 . . . A 7 LEU CB . 17425 1 68 . 1 1 6 6 LEU CG C 13 23.2662 0.05 . 1 . . . A 7 LEU CG . 17425 1 69 . 1 1 6 6 LEU CD1 C 13 24.1421 0.05 . 1 . . . A 7 LEU CD1 . 17425 1 70 . 1 1 6 6 LEU CD2 C 13 20.7907 0.05 . 1 . . . A 7 LEU CD2 . 17425 1 71 . 1 1 7 7 ASN H H 1 7.3280 0.02 . 1 . . . A 8 ASN H . 17425 1 72 . 1 1 7 7 ASN HA H 1 4.2406 0.02 . 1 . . . A 8 ASN HA . 17425 1 73 . 1 1 7 7 ASN HB2 H 1 2.7023 0.02 . 1 . . . A 8 ASN HB2 . 17425 1 74 . 1 1 7 7 ASN HB3 H 1 2.7130 0.02 . 1 . . . A 8 ASN HB3 . 17425 1 75 . 1 1 7 7 ASN HD21 H 1 7.1725 0.02 . 1 . . . A 8 ASN HD21 . 17425 1 76 . 1 1 7 7 ASN HD22 H 1 7.5934 0.02 . 1 . . . A 8 ASN HD22 . 17425 1 77 . 1 1 7 7 ASN CA C 13 54.6743 0.05 . 1 . . . A 8 ASN CA . 17425 1 78 . 1 1 7 7 ASN CB C 13 36.3671 0.05 . 1 . . . A 8 ASN CB . 17425 1 79 . 1 1 7 7 ASN N N 15 116.3391 0.05 . 1 . . . A 8 ASN N . 17425 1 80 . 1 1 7 7 ASN ND2 N 15 114.3437 0.05 . 1 . . . A 8 ASN ND2 . 17425 1 81 . 1 1 8 8 ASN H H 1 11.0200 0.02 . 1 . . . A 9 ASN H . 17425 1 82 . 1 1 8 8 ASN HA H 1 4.3464 0.02 . 1 . . . A 9 ASN HA . 17425 1 83 . 1 1 8 8 ASN HB2 H 1 3.0397 0.02 . 1 . . . A 9 ASN HB2 . 17425 1 84 . 1 1 8 8 ASN HB3 H 1 2.3954 0.02 . 1 . . . A 9 ASN HB3 . 17425 1 85 . 1 1 8 8 ASN HD21 H 1 7.3601 0.02 . 1 . . . A 9 ASN HD21 . 17425 1 86 . 1 1 8 8 ASN HD22 H 1 7.5592 0.02 . 1 . . . A 9 ASN HD22 . 17425 1 87 . 1 1 8 8 ASN CA C 13 55.3198 0.05 . 1 . . . A 9 ASN CA . 17425 1 88 . 1 1 8 8 ASN CB C 13 36.0162 0.05 . 1 . . . A 9 ASN CB . 17425 1 89 . 1 1 8 8 ASN N N 15 121.7093 0.05 . 1 . . . A 9 ASN N . 17425 1 90 . 1 1 8 8 ASN ND2 N 15 116.8438 0.05 . 1 . . . A 9 ASN ND2 . 17425 1 91 . 1 1 9 9 THR H H 1 10.0150 0.02 . 1 . . . A 10 THR H . 17425 1 92 . 1 1 9 9 THR HA H 1 3.4273 0.02 . 1 . . . A 10 THR HA . 17425 1 93 . 1 1 9 9 THR HB H 1 4.0910 0.02 . 1 . . . A 10 THR HB . 17425 1 94 . 1 1 9 9 THR HG1 H 1 5.7384 0.02 . 1 . . . A 10 THR HG1 . 17425 1 95 . 1 1 9 9 THR CA C 13 65.8391 0.05 . 1 . . . A 10 THR CA . 17425 1 96 . 1 1 9 9 THR CB C 13 64.6719 0.05 . 1 . . . A 10 THR CB . 17425 1 97 . 1 1 9 9 THR CG2 C 13 18.4717 0.05 . 1 . . . A 10 THR CG2 . 17425 1 98 . 1 1 9 9 THR N N 15 123.5500 0.05 . 1 . . . A 10 THR N . 17425 1 99 . 1 1 10 10 LYS H H 1 8.0982 0.02 . 1 . . . A 11 LYS H . 17425 1 100 . 1 1 10 10 LYS HA H 1 3.7259 0.02 . 1 . . . A 11 LYS HA . 17425 1 101 . 1 1 10 10 LYS HB2 H 1 1.9910 0.02 . 1 . . . A 11 LYS HB2 . 17425 1 102 . 1 1 10 10 LYS HB3 H 1 1.7665 0.02 . 1 . . . A 11 LYS HB3 . 17425 1 103 . 1 1 10 10 LYS HG2 H 1 1.6275 0.02 . 1 . . . A 11 LYS HG2 . 17425 1 104 . 1 1 10 10 LYS HG3 H 1 1.1941 0.02 . 1 . . . A 11 LYS HG3 . 17425 1 105 . 1 1 10 10 LYS HD2 H 1 1.6560 0.02 . 1 . . . A 11 LYS HD2 . 17425 1 106 . 1 1 10 10 LYS HD3 H 1 1.6560 0.02 . 1 . . . A 11 LYS HD3 . 17425 1 107 . 1 1 10 10 LYS CA C 13 64.5663 0.05 . 1 . . . A 11 LYS CA . 17425 1 108 . 1 1 10 10 LYS CB C 13 29.6260 0.05 . 1 . . . A 11 LYS CB . 17425 1 109 . 1 1 10 10 LYS CG C 13 24.4475 0.05 . 1 . . . A 11 LYS CG . 17425 1 110 . 1 1 10 10 LYS CD C 13 26.8901 0.05 . 1 . . . A 11 LYS CD . 17425 1 111 . 1 1 10 10 LYS N N 15 119.0099 0.05 . 1 . . . A 11 LYS N . 17425 1 112 . 1 1 11 11 LYS H H 1 7.5330 0.02 . 1 . . . A 12 LYS H . 17425 1 113 . 1 1 11 11 LYS HA H 1 4.0231 0.02 . 1 . . . A 12 LYS HA . 17425 1 114 . 1 1 11 11 LYS HB2 H 1 1.9576 0.02 . 1 . . . A 12 LYS HB2 . 17425 1 115 . 1 1 11 11 LYS HB3 H 1 1.7989 0.02 . 1 . . . A 12 LYS HB3 . 17425 1 116 . 1 1 11 11 LYS HG2 H 1 1.5896 0.02 . 1 . . . A 12 LYS HG2 . 17425 1 117 . 1 1 11 11 LYS HG3 H 1 1.3736 0.02 . 1 . . . A 12 LYS HG3 . 17425 1 118 . 1 1 11 11 LYS HD2 H 1 1.6500 0.02 . 1 . . . A 12 LYS HD2 . 17425 1 119 . 1 1 11 11 LYS HD3 H 1 1.6500 0.02 . 1 . . . A 12 LYS HD3 . 17425 1 120 . 1 1 11 11 LYS CA C 13 57.2530 0.05 . 1 . . . A 12 LYS CA . 17425 1 121 . 1 1 11 11 LYS CB C 13 29.5319 0.05 . 1 . . . A 12 LYS CB . 17425 1 122 . 1 1 11 11 LYS CG C 13 22.7864 0.05 . 1 . . . A 12 LYS CG . 17425 1 123 . 1 1 11 11 LYS CD C 13 27.0698 0.05 . 1 . . . A 12 LYS CD . 17425 1 124 . 1 1 11 11 LYS N N 15 120.0864 0.05 . 1 . . . A 12 LYS N . 17425 1 125 . 1 1 12 12 VAL H H 1 7.9340 0.02 . 1 . . . A 13 VAL H . 17425 1 126 . 1 1 12 12 VAL HA H 1 3.4530 0.02 . 1 . . . A 13 VAL HA . 17425 1 127 . 1 1 12 12 VAL HB H 1 1.7806 0.02 . 1 . . . A 13 VAL HB . 17425 1 128 . 1 1 12 12 VAL HG11 H 1 0.8194 0.02 . 2 . . . A 13 VAL HG11 . 17425 1 129 . 1 1 12 12 VAL HG12 H 1 0.8194 0.02 . 2 . . . A 13 VAL HG11 . 17425 1 130 . 1 1 12 12 VAL HG13 H 1 0.8194 0.02 . 2 . . . A 13 VAL HG11 . 17425 1 131 . 1 1 12 12 VAL HG21 H 1 0.4240 0.02 . 2 . . . A 13 VAL HG21 . 17425 1 132 . 1 1 12 12 VAL HG22 H 1 0.4240 0.02 . 2 . . . A 13 VAL HG21 . 17425 1 133 . 1 1 12 12 VAL HG23 H 1 0.4240 0.02 . 2 . . . A 13 VAL HG21 . 17425 1 134 . 1 1 12 12 VAL CA C 13 62.9497 0.05 . 1 . . . A 13 VAL CA . 17425 1 135 . 1 1 12 12 VAL CB C 13 33.5970 0.05 . 1 . . . A 13 VAL CB . 17425 1 136 . 1 1 12 12 VAL CG1 C 13 20.7452 0.05 . 2 . . . A 13 VAL CG1 . 17425 1 137 . 1 1 12 12 VAL CG2 C 13 19.7753 0.05 . 2 . . . A 13 VAL CG2 . 17425 1 138 . 1 1 12 12 VAL N N 15 121.0217 0.05 . 1 . . . A 13 VAL N . 17425 1 139 . 1 1 13 13 ALA H H 1 8.1700 0.02 . 1 . . . A 14 ALA H . 17425 1 140 . 1 1 13 13 ALA HA H 1 3.7298 0.02 . 1 . . . A 14 ALA HA . 17425 1 141 . 1 1 13 13 ALA HB1 H 1 1.4560 0.02 . 1 . . . A 14 ALA HB1 . 17425 1 142 . 1 1 13 13 ALA HB2 H 1 1.4560 0.02 . 1 . . . A 14 ALA HB1 . 17425 1 143 . 1 1 13 13 ALA HB3 H 1 1.4560 0.02 . 1 . . . A 14 ALA HB1 . 17425 1 144 . 1 1 13 13 ALA CA C 13 52.8997 0.05 . 1 . . . A 14 ALA CA . 17425 1 145 . 1 1 13 13 ALA CB C 13 18.0524 0.05 . 1 . . . A 14 ALA CB . 17425 1 146 . 1 1 13 13 ALA N N 15 121.7309 0.05 . 1 . . . A 14 ALA N . 17425 1 147 . 1 1 14 14 ASN H H 1 7.6430 0.02 . 1 . . . A 15 ASN H . 17425 1 148 . 1 1 14 14 ASN HA H 1 4.5315 0.02 . 1 . . . A 15 ASN HA . 17425 1 149 . 1 1 14 14 ASN HB2 H 1 2.8359 0.02 . 1 . . . A 15 ASN HB2 . 17425 1 150 . 1 1 14 14 ASN HB3 H 1 2.7704 0.02 . 1 . . . A 15 ASN HB3 . 17425 1 151 . 1 1 14 14 ASN CA C 13 53.4068 0.05 . 1 . . . A 15 ASN CA . 17425 1 152 . 1 1 14 14 ASN CB C 13 36.3946 0.05 . 1 . . . A 15 ASN CB . 17425 1 153 . 1 1 14 14 ASN N N 15 114.2927 0.05 . 1 . . . A 15 ASN N . 17425 1 154 . 1 1 15 15 ALA H H 1 7.9290 0.02 . 1 . . . A 16 ALA H . 17425 1 155 . 1 1 15 15 ALA HA H 1 4.1084 0.02 . 1 . . . A 16 ALA HA . 17425 1 156 . 1 1 15 15 ALA HB1 H 1 1.4050 0.02 . 1 . . . A 16 ALA HB1 . 17425 1 157 . 1 1 15 15 ALA HB2 H 1 1.4050 0.02 . 1 . . . A 16 ALA HB1 . 17425 1 158 . 1 1 15 15 ALA HB3 H 1 1.4050 0.02 . 1 . . . A 16 ALA HB1 . 17425 1 159 . 1 1 15 15 ALA CA C 13 52.2640 0.05 . 1 . . . A 16 ALA CA . 17425 1 160 . 1 1 15 15 ALA CB C 13 14.8601 0.05 . 1 . . . A 16 ALA CB . 17425 1 161 . 1 1 15 15 ALA N N 15 125.4134 0.05 . 1 . . . A 16 ALA N . 17425 1 162 . 1 1 16 16 PHE H H 1 8.0790 0.02 . 1 . . . A 17 PHE H . 17425 1 163 . 1 1 16 16 PHE HA H 1 4.8051 0.02 . 1 . . . A 17 PHE HA . 17425 1 164 . 1 1 16 16 PHE HB2 H 1 3.3633 0.02 . 1 . . . A 17 PHE HB2 . 17425 1 165 . 1 1 16 16 PHE HB3 H 1 3.0923 0.02 . 1 . . . A 17 PHE HB3 . 17425 1 166 . 1 1 16 16 PHE HD1 H 1 6.9540 0.02 . 1 . . . A 17 PHE HD1 . 17425 1 167 . 1 1 16 16 PHE HD2 H 1 6.9540 0.02 . 1 . . . A 17 PHE HD2 . 17425 1 168 . 1 1 16 16 PHE HE1 H 1 7.1550 0.02 . 1 . . . A 17 PHE HE1 . 17425 1 169 . 1 1 16 16 PHE HE2 H 1 7.1550 0.02 . 1 . . . A 17 PHE HE2 . 17425 1 170 . 1 1 16 16 PHE HZ H 1 7.4220 0.02 . 1 . . . A 17 PHE HZ . 17425 1 171 . 1 1 16 16 PHE CA C 13 52.1593 0.05 . 1 . . . A 17 PHE CA . 17425 1 172 . 1 1 16 16 PHE CB C 13 35.2493 0.05 . 1 . . . A 17 PHE CB . 17425 1 173 . 1 1 16 16 PHE CD1 C 13 126.6300 0.05 . 1 . . . A 17 PHE CD1 . 17425 1 174 . 1 1 16 16 PHE CD2 C 13 126.6300 0.05 . 1 . . . A 17 PHE CD2 . 17425 1 175 . 1 1 16 16 PHE CE1 C 13 128.3000 0.05 . 1 . . . A 17 PHE CE1 . 17425 1 176 . 1 1 16 16 PHE CE2 C 13 128.3000 0.05 . 1 . . . A 17 PHE CE2 . 17425 1 177 . 1 1 16 16 PHE CZ C 13 126.9483 0.05 . 1 . . . A 17 PHE CZ . 17425 1 178 . 1 1 16 16 PHE N N 15 115.6714 0.05 . 1 . . . A 17 PHE N . 17425 1 179 . 1 1 17 17 GLY H H 1 7.9170 0.02 . 1 . . . A 18 GLY H . 17425 1 180 . 1 1 17 17 GLY HA2 H 1 3.9682 0.02 . 1 . . . A 18 GLY HA2 . 17425 1 181 . 1 1 17 17 GLY HA3 H 1 3.8598 0.02 . 1 . . . A 18 GLY HA3 . 17425 1 182 . 1 1 17 17 GLY CA C 13 43.4940 0.05 . 1 . . . A 18 GLY CA . 17425 1 183 . 1 1 17 17 GLY N N 15 108.2885 0.05 . 1 . . . A 18 GLY N . 17425 1 184 . 1 1 18 18 LEU H H 1 7.5420 0.02 . 1 . . . A 19 LEU H . 17425 1 185 . 1 1 18 18 LEU HA H 1 4.3026 0.02 . 1 . . . A 19 LEU HA . 17425 1 186 . 1 1 18 18 LEU HB2 H 1 1.7236 0.02 . 1 . . . A 19 LEU HB2 . 17425 1 187 . 1 1 18 18 LEU HB3 H 1 1.2418 0.02 . 1 . . . A 19 LEU HB3 . 17425 1 188 . 1 1 18 18 LEU HG H 1 1.8275 0.02 . 1 . . . A 19 LEU HG . 17425 1 189 . 1 1 18 18 LEU HD11 H 1 0.7770 0.02 . 1 . . . A 19 LEU HD11 . 17425 1 190 . 1 1 18 18 LEU HD12 H 1 0.7770 0.02 . 1 . . . A 19 LEU HD11 . 17425 1 191 . 1 1 18 18 LEU HD13 H 1 0.7770 0.02 . 1 . . . A 19 LEU HD11 . 17425 1 192 . 1 1 18 18 LEU HD21 H 1 0.4236 0.02 . 1 . . . A 19 LEU HD21 . 17425 1 193 . 1 1 18 18 LEU HD22 H 1 0.4236 0.02 . 1 . . . A 19 LEU HD21 . 17425 1 194 . 1 1 18 18 LEU HD23 H 1 0.4236 0.02 . 1 . . . A 19 LEU HD21 . 17425 1 195 . 1 1 18 18 LEU CA C 13 52.1670 0.05 . 1 . . . A 19 LEU CA . 17425 1 196 . 1 1 18 18 LEU CB C 13 38.2003 0.05 . 1 . . . A 19 LEU CB . 17425 1 197 . 1 1 18 18 LEU CG C 13 24.3058 0.05 . 1 . . . A 19 LEU CG . 17425 1 198 . 1 1 18 18 LEU CD1 C 13 22.8500 0.05 . 1 . . . A 19 LEU CD1 . 17425 1 199 . 1 1 18 18 LEU CD2 C 13 18.8647 0.05 . 1 . . . A 19 LEU CD2 . 17425 1 200 . 1 1 18 18 LEU N N 15 118.0379 0.05 . 1 . . . A 19 LEU N . 17425 1 201 . 1 1 19 19 ASN H H 1 9.1885 0.02 . 1 . . . A 20 ASN H . 17425 1 202 . 1 1 19 19 ASN HA H 1 4.5326 0.02 . 1 . . . A 20 ASN HA . 17425 1 203 . 1 1 19 19 ASN HB2 H 1 3.3802 0.02 . 1 . . . A 20 ASN HB2 . 17425 1 204 . 1 1 19 19 ASN HB3 H 1 2.9569 0.02 . 1 . . . A 20 ASN HB3 . 17425 1 205 . 1 1 19 19 ASN HD21 H 1 6.9162 0.02 . 1 . . . A 20 ASN HD21 . 17425 1 206 . 1 1 19 19 ASN HD22 H 1 7.2478 0.02 . 1 . . . A 20 ASN HD22 . 17425 1 207 . 1 1 19 19 ASN CA C 13 48.8733 0.05 . 1 . . . A 20 ASN CA . 17425 1 208 . 1 1 19 19 ASN CB C 13 35.1406 0.05 . 1 . . . A 20 ASN CB . 17425 1 209 . 1 1 19 19 ASN N N 15 121.0876 0.05 . 1 . . . A 20 ASN N . 17425 1 210 . 1 1 19 19 ASN ND2 N 15 109.8912 0.05 . 1 . . . A 20 ASN ND2 . 17425 1 211 . 1 1 20 20 GLU H H 1 8.7020 0.02 . 1 . . . A 21 GLU H . 17425 1 212 . 1 1 20 20 GLU HA H 1 3.8849 0.02 . 1 . . . A 21 GLU HA . 17425 1 213 . 1 1 20 20 GLU HB2 H 1 2.0737 0.02 . 1 . . . A 21 GLU HB2 . 17425 1 214 . 1 1 20 20 GLU HB3 H 1 1.9755 0.02 . 1 . . . A 21 GLU HB3 . 17425 1 215 . 1 1 20 20 GLU HG2 H 1 2.2320 0.02 . 1 . . . A 21 GLU HG2 . 17425 1 216 . 1 1 20 20 GLU HG3 H 1 2.2320 0.02 . 1 . . . A 21 GLU HG3 . 17425 1 217 . 1 1 20 20 GLU CA C 13 58.1330 0.05 . 1 . . . A 21 GLU CA . 17425 1 218 . 1 1 20 20 GLU CB C 13 26.9938 0.05 . 1 . . . A 21 GLU CB . 17425 1 219 . 1 1 20 20 GLU CG C 13 37.0851 0.05 . 1 . . . A 21 GLU CG . 17425 1 220 . 1 1 20 20 GLU N N 15 121.3751 0.05 . 1 . . . A 21 GLU N . 17425 1 221 . 1 1 21 21 GLU H H 1 8.2650 0.02 . 1 . . . A 22 GLU H . 17425 1 222 . 1 1 21 21 GLU HA H 1 4.0498 0.02 . 1 . . . A 22 GLU HA . 17425 1 223 . 1 1 21 21 GLU HB2 H 1 2.0430 0.02 . 1 . . . A 22 GLU HB2 . 17425 1 224 . 1 1 21 21 GLU HB3 H 1 2.0430 0.02 . 1 . . . A 22 GLU HB3 . 17425 1 225 . 1 1 21 21 GLU HG2 H 1 2.3419 0.02 . 1 . . . A 22 GLU HG2 . 17425 1 226 . 1 1 21 21 GLU HG3 H 1 2.2700 0.02 . 1 . . . A 22 GLU HG3 . 17425 1 227 . 1 1 21 21 GLU CA C 13 57.2521 0.05 . 1 . . . A 22 GLU CA . 17425 1 228 . 1 1 21 21 GLU CB C 13 27.4252 0.05 . 1 . . . A 22 GLU CB . 17425 1 229 . 1 1 21 21 GLU CG C 13 33.8630 0.05 . 1 . . . A 22 GLU CG . 17425 1 230 . 1 1 21 21 GLU N N 15 120.5913 0.05 . 1 . . . A 22 GLU N . 17425 1 231 . 1 1 22 22 ASP H H 1 9.0420 0.02 . 1 . . . A 23 ASP H . 17425 1 232 . 1 1 22 22 ASP HA H 1 4.6474 0.02 . 1 . . . A 23 ASP HA . 17425 1 233 . 1 1 22 22 ASP HB2 H 1 2.4309 0.02 . 2 . . . A 23 ASP HB2 . 17425 1 234 . 1 1 22 22 ASP HB3 H 1 2.2533 0.02 . 2 . . . A 23 ASP HB3 . 17425 1 235 . 1 1 22 22 ASP CA C 13 54.6707 0.05 . 1 . . . A 23 ASP CA . 17425 1 236 . 1 1 22 22 ASP CB C 13 37.3685 0.05 . 1 . . . A 23 ASP CB . 17425 1 237 . 1 1 22 22 ASP N N 15 122.6601 0.05 . 1 . . . A 23 ASP N . 17425 1 238 . 1 1 23 23 THR H H 1 8.4690 0.02 . 1 . . . A 24 THR H . 17425 1 239 . 1 1 23 23 THR HA H 1 3.6691 0.02 . 1 . . . A 24 THR HA . 17425 1 240 . 1 1 23 23 THR HB H 1 4.2396 0.02 . 1 . . . A 24 THR HB . 17425 1 241 . 1 1 23 23 THR HG21 H 1 1.0820 0.02 . 1 . . . A 24 THR HG21 . 17425 1 242 . 1 1 23 23 THR HG22 H 1 1.0820 0.02 . 1 . . . A 24 THR HG21 . 17425 1 243 . 1 1 23 23 THR HG23 H 1 1.0820 0.02 . 1 . . . A 24 THR HG21 . 17425 1 244 . 1 1 23 23 THR CA C 13 65.7794 0.05 . 1 . . . A 24 THR CA . 17425 1 245 . 1 1 23 23 THR CB C 13 65.1193 0.05 . 1 . . . A 24 THR CB . 17425 1 246 . 1 1 23 23 THR CG2 C 13 17.8633 0.05 . 1 . . . A 24 THR CG2 . 17425 1 247 . 1 1 23 23 THR N N 15 118.1358 0.05 . 1 . . . A 24 THR N . 17425 1 248 . 1 1 24 24 ASN H H 1 8.1260 0.02 . 1 . . . A 25 ASN H . 17425 1 249 . 1 1 24 24 ASN HA H 1 4.4168 0.02 . 1 . . . A 25 ASN HA . 17425 1 250 . 1 1 24 24 ASN HB2 H 1 2.9399 0.02 . 1 . . . A 25 ASN HB2 . 17425 1 251 . 1 1 24 24 ASN HB3 H 1 2.7580 0.02 . 1 . . . A 25 ASN HB3 . 17425 1 252 . 1 1 24 24 ASN CA C 13 53.7762 0.05 . 1 . . . A 25 ASN CA . 17425 1 253 . 1 1 24 24 ASN CB C 13 35.2460 0.05 . 1 . . . A 25 ASN CB . 17425 1 254 . 1 1 24 24 ASN N N 15 120.2712 0.05 . 1 . . . A 25 ASN N . 17425 1 255 . 1 1 25 25 LEU H H 1 8.0730 0.02 . 1 . . . A 26 LEU H . 17425 1 256 . 1 1 25 25 LEU HA H 1 4.1149 0.02 . 1 . . . A 26 LEU HA . 17425 1 257 . 1 1 25 25 LEU HB2 H 1 2.1247 0.02 . 1 . . . A 26 LEU HB2 . 17425 1 258 . 1 1 25 25 LEU HB3 H 1 1.8361 0.02 . 1 . . . A 26 LEU HB3 . 17425 1 259 . 1 1 25 25 LEU HG H 1 1.7892 0.02 . 1 . . . A 26 LEU HG . 17425 1 260 . 1 1 25 25 LEU HD11 H 1 1.0140 0.02 . 1 . . . A 26 LEU HD11 . 17425 1 261 . 1 1 25 25 LEU HD12 H 1 1.0140 0.02 . 1 . . . A 26 LEU HD11 . 17425 1 262 . 1 1 25 25 LEU HD13 H 1 1.0140 0.02 . 1 . . . A 26 LEU HD11 . 17425 1 263 . 1 1 25 25 LEU HD21 H 1 0.9648 0.02 . 1 . . . A 26 LEU HD21 . 17425 1 264 . 1 1 25 25 LEU HD22 H 1 0.9648 0.02 . 1 . . . A 26 LEU HD21 . 17425 1 265 . 1 1 25 25 LEU HD23 H 1 0.9648 0.02 . 1 . . . A 26 LEU HD21 . 17425 1 266 . 1 1 25 25 LEU CA C 13 55.7824 0.05 . 1 . . . A 26 LEU CA . 17425 1 267 . 1 1 25 25 LEU CB C 13 39.8752 0.05 . 1 . . . A 26 LEU CB . 17425 1 268 . 1 1 25 25 LEU CG C 13 23.6451 0.05 . 1 . . . A 26 LEU CG . 17425 1 269 . 1 1 25 25 LEU CD1 C 13 21.8108 0.05 . 1 . . . A 26 LEU CD1 . 17425 1 270 . 1 1 25 25 LEU CD2 C 13 21.6422 0.05 . 1 . . . A 26 LEU CD2 . 17425 1 271 . 1 1 25 25 LEU N N 15 121.9986 0.05 . 1 . . . A 26 LEU N . 17425 1 272 . 1 1 26 26 LEU H H 1 8.1509 0.02 . 1 . . . A 27 LEU H . 17425 1 273 . 1 1 26 26 LEU HA H 1 4.1385 0.02 . 1 . . . A 27 LEU HA . 17425 1 274 . 1 1 26 26 LEU HB2 H 1 2.3325 0.02 . 1 . . . A 27 LEU HB2 . 17425 1 275 . 1 1 26 26 LEU HB3 H 1 1.6905 0.02 . 1 . . . A 27 LEU HB3 . 17425 1 276 . 1 1 26 26 LEU HG H 1 1.5316 0.02 . 1 . . . A 27 LEU HG . 17425 1 277 . 1 1 26 26 LEU HD11 H 1 0.9326 0.02 . 1 . . . A 27 LEU HD11 . 17425 1 278 . 1 1 26 26 LEU HD12 H 1 0.9326 0.02 . 1 . . . A 27 LEU HD11 . 17425 1 279 . 1 1 26 26 LEU HD13 H 1 0.9326 0.02 . 1 . . . A 27 LEU HD11 . 17425 1 280 . 1 1 26 26 LEU HD21 H 1 0.4533 0.02 . 1 . . . A 27 LEU HD21 . 17425 1 281 . 1 1 26 26 LEU HD22 H 1 0.4533 0.02 . 1 . . . A 27 LEU HD21 . 17425 1 282 . 1 1 26 26 LEU HD23 H 1 0.4533 0.02 . 1 . . . A 27 LEU HD21 . 17425 1 283 . 1 1 26 26 LEU CA C 13 55.8138 0.05 . 1 . . . A 27 LEU CA . 17425 1 284 . 1 1 26 26 LEU CB C 13 39.2673 0.05 . 1 . . . A 27 LEU CB . 17425 1 285 . 1 1 26 26 LEU CG C 13 24.4480 0.05 . 1 . . . A 27 LEU CG . 17425 1 286 . 1 1 26 26 LEU CD1 C 13 23.5590 0.05 . 1 . . . A 27 LEU CD1 . 17425 1 287 . 1 1 26 26 LEU CD2 C 13 20.3081 0.05 . 1 . . . A 27 LEU CD2 . 17425 1 288 . 1 1 26 26 LEU N N 15 121.0039 0.05 . 1 . . . A 27 LEU N . 17425 1 289 . 1 1 27 27 ILE H H 1 8.6800 0.02 . 1 . . . A 28 ILE H . 17425 1 290 . 1 1 27 27 ILE HA H 1 3.5532 0.02 . 1 . . . A 28 ILE HA . 17425 1 291 . 1 1 27 27 ILE HB H 1 2.0076 0.02 . 1 . . . A 28 ILE HB . 17425 1 292 . 1 1 27 27 ILE HG12 H 1 1.5105 0.02 . 1 . . . A 28 ILE HG12 . 17425 1 293 . 1 1 27 27 ILE HG13 H 1 1.5105 0.02 . 1 . . . A 28 ILE HG13 . 17425 1 294 . 1 1 27 27 ILE HG21 H 1 0.8912 0.02 . 1 . . . A 28 ILE HG21 . 17425 1 295 . 1 1 27 27 ILE HG22 H 1 0.8912 0.02 . 1 . . . A 28 ILE HG21 . 17425 1 296 . 1 1 27 27 ILE HG23 H 1 0.8912 0.02 . 1 . . . A 28 ILE HG21 . 17425 1 297 . 1 1 27 27 ILE HD11 H 1 0.7713 0.02 . 1 . . . A 28 ILE HD11 . 17425 1 298 . 1 1 27 27 ILE HD12 H 1 0.7713 0.02 . 1 . . . A 28 ILE HD11 . 17425 1 299 . 1 1 27 27 ILE HD13 H 1 0.7713 0.02 . 1 . . . A 28 ILE HD11 . 17425 1 300 . 1 1 27 27 ILE CA C 13 61.9356 0.05 . 1 . . . A 28 ILE CA . 17425 1 301 . 1 1 27 27 ILE CB C 13 33.9332 0.05 . 1 . . . A 28 ILE CB . 17425 1 302 . 1 1 27 27 ILE CG1 C 13 25.8765 0.05 . 1 . . . A 28 ILE CG1 . 17425 1 303 . 1 1 27 27 ILE CG2 C 13 14.8928 0.05 . 1 . . . A 28 ILE CG2 . 17425 1 304 . 1 1 27 27 ILE CD1 C 13 10.2168 0.05 . 1 . . . A 28 ILE CD1 . 17425 1 305 . 1 1 27 27 ILE N N 15 118.5515 0.05 . 1 . . . A 28 ILE N . 17425 1 306 . 1 1 28 28 ASN H H 1 8.1780 0.02 . 1 . . . A 29 ASN H . 17425 1 307 . 1 1 28 28 ASN HA H 1 4.3861 0.02 . 1 . . . A 29 ASN HA . 17425 1 308 . 1 1 28 28 ASN HB2 H 1 2.8649 0.02 . 1 . . . A 29 ASN HB2 . 17425 1 309 . 1 1 28 28 ASN HB3 H 1 2.7421 0.02 . 1 . . . A 29 ASN HB3 . 17425 1 310 . 1 1 28 28 ASN CA C 13 57.8431 0.05 . 1 . . . A 29 ASN CA . 17425 1 311 . 1 1 28 28 ASN CB C 13 35.8379 0.05 . 1 . . . A 29 ASN CB . 17425 1 312 . 1 1 28 28 ASN N N 15 117.3175 0.05 . 1 . . . A 29 ASN N . 17425 1 313 . 1 1 29 29 ALA H H 1 7.7640 0.02 . 1 . . . A 30 ALA H . 17425 1 314 . 1 1 29 29 ALA HA H 1 3.9532 0.02 . 1 . . . A 30 ALA HA . 17425 1 315 . 1 1 29 29 ALA HB1 H 1 1.3629 0.02 . 1 . . . A 30 ALA HB1 . 17425 1 316 . 1 1 29 29 ALA HB2 H 1 1.3629 0.02 . 1 . . . A 30 ALA HB1 . 17425 1 317 . 1 1 29 29 ALA HB3 H 1 1.3629 0.02 . 1 . . . A 30 ALA HB1 . 17425 1 318 . 1 1 29 29 ALA CA C 13 53.81674 0.05 . 1 . . . A 30 ALA CA . 17425 1 319 . 1 1 29 29 ALA CB C 13 15.8225 0.05 . 1 . . . A 30 ALA CB . 17425 1 320 . 1 1 29 29 ALA N N 15 123.5063 0.05 . 1 . . . A 30 ALA N . 17425 1 321 . 1 1 30 30 VAL H H 1 8.2300 0.02 . 1 . . . A 31 VAL H . 17425 1 322 . 1 1 30 30 VAL HA H 1 3.4752 0.02 . 1 . . . A 31 VAL HA . 17425 1 323 . 1 1 30 30 VAL HB H 1 2.1469 0.02 . 1 . . . A 31 VAL HB . 17425 1 324 . 1 1 30 30 VAL HG21 H 1 1.1986 0.02 . 1 . . . A 31 VAL HG21 . 17425 1 325 . 1 1 30 30 VAL HG22 H 1 1.1986 0.02 . 1 . . . A 31 VAL HG21 . 17425 1 326 . 1 1 30 30 VAL HG23 H 1 1.1986 0.02 . 1 . . . A 31 VAL HG21 . 17425 1 327 . 1 1 30 30 VAL CA C 13 64.4222 0.05 . 1 . . . A 31 VAL CA . 17425 1 328 . 1 1 30 30 VAL CB C 13 28.8760 0.05 . 1 . . . A 31 VAL CB . 17425 1 329 . 1 1 30 30 VAL CG1 C 13 20.7490 0.05 . 1 . . . A 31 VAL CG1 . 17425 1 330 . 1 1 30 30 VAL CG2 C 13 20.1726 0.05 . 1 . . . A 31 VAL CG2 . 17425 1 331 . 1 1 30 30 VAL N N 15 119.5632 0.05 . 1 . . . A 31 VAL N . 17425 1 332 . 1 1 31 31 ASP H H 1 8.4690 0.02 . 1 . . . A 32 ASP H . 17425 1 333 . 1 1 31 31 ASP HA H 1 4.3367 0.02 . 1 . . . A 32 ASP HA . 17425 1 334 . 1 1 31 31 ASP HB2 H 1 2.9057 0.02 . 1 . . . A 32 ASP HB2 . 17425 1 335 . 1 1 31 31 ASP HB3 H 1 2.7842 0.02 . 1 . . . A 32 ASP HB3 . 17425 1 336 . 1 1 31 31 ASP CA C 13 53.6838 0.05 . 1 . . . A 32 ASP CA . 17425 1 337 . 1 1 31 31 ASP CB C 13 39.3156 0.05 . 1 . . . A 32 ASP CB . 17425 1 338 . 1 1 31 31 ASP N N 15 119.3449 0.05 . 1 . . . A 32 ASP N . 17425 1 339 . 1 1 32 32 LEU H H 1 7.8590 0.02 . 1 . . . A 33 LEU H . 17425 1 340 . 1 1 32 32 LEU HA H 1 4.0753 0.02 . 1 . . . A 33 LEU HA . 17425 1 341 . 1 1 32 32 LEU HB2 H 1 1.8002 0.02 . 1 . . . A 33 LEU HB2 . 17425 1 342 . 1 1 32 32 LEU HB3 H 1 1.5990 0.02 . 1 . . . A 33 LEU HB3 . 17425 1 343 . 1 1 32 32 LEU HG H 1 1.7629 0.02 . 1 . . . A 33 LEU HG . 17425 1 344 . 1 1 32 32 LEU HD11 H 1 0.8577 0.02 . 1 . . . A 33 LEU HD11 . 17425 1 345 . 1 1 32 32 LEU HD12 H 1 0.8577 0.02 . 1 . . . A 33 LEU HD11 . 17425 1 346 . 1 1 32 32 LEU HD13 H 1 0.8577 0.02 . 1 . . . A 33 LEU HD11 . 17425 1 347 . 1 1 32 32 LEU HD21 H 1 0.8577 0.02 . 1 . . . A 33 LEU HD21 . 17425 1 348 . 1 1 32 32 LEU HD22 H 1 0.8577 0.02 . 1 . . . A 33 LEU HD21 . 17425 1 349 . 1 1 32 32 LEU HD23 H 1 0.8577 0.02 . 1 . . . A 33 LEU HD21 . 17425 1 350 . 1 1 32 32 LEU CA C 13 55.2032 0.05 . 1 . . . A 33 LEU CA . 17425 1 351 . 1 1 32 32 LEU CB C 13 39.5447 0.05 . 1 . . . A 33 LEU CB . 17425 1 352 . 1 1 32 32 LEU CG C 13 24.0507 0.05 . 1 . . . A 33 LEU CG . 17425 1 353 . 1 1 32 32 LEU CD1 C 13 21.6658 0.05 . 1 . . . A 33 LEU CD1 . 17425 1 354 . 1 1 32 32 LEU CD2 C 13 20.8805 0.05 . 1 . . . A 33 LEU CD2 . 17425 1 355 . 1 1 32 32 LEU N N 15 118.5115 0.05 . 1 . . . A 33 LEU N . 17425 1 356 . 1 1 33 33 ASP H H 1 8.4260 0.02 . 1 . . . A 34 ASP H . 17425 1 357 . 1 1 33 33 ASP HA H 1 4.6618 0.02 . 1 . . . A 34 ASP HA . 17425 1 358 . 1 1 33 33 ASP HB2 H 1 2.9729 0.02 . 1 . . . A 34 ASP HB2 . 17425 1 359 . 1 1 33 33 ASP HB3 H 1 2.5484 0.02 . 1 . . . A 34 ASP HB3 . 17425 1 360 . 1 1 33 33 ASP CA C 13 55.3389 0.05 . 1 . . . A 34 ASP CA . 17425 1 361 . 1 1 33 33 ASP CB C 13 39.0101 0.05 . 1 . . . A 34 ASP CB . 17425 1 362 . 1 1 33 33 ASP N N 15 120.2962 0.05 . 1 . . . A 34 ASP N . 17425 1 363 . 1 1 34 34 ILE H H 1 9.0050 0.02 . 1 . . . A 35 ILE H . 17425 1 364 . 1 1 34 34 ILE HA H 1 3.2826 0.02 . 1 . . . A 35 ILE HA . 17425 1 365 . 1 1 34 34 ILE HB H 1 1.8705 0.02 . 1 . . . A 35 ILE HB . 17425 1 366 . 1 1 34 34 ILE HG12 H 1 1.7675 0.02 . 1 . . . A 35 ILE HG12 . 17425 1 367 . 1 1 34 34 ILE HG13 H 1 0.5168 0.02 . 1 . . . A 35 ILE HG13 . 17425 1 368 . 1 1 34 34 ILE HG21 H 1 0.3698 0.02 . 1 . . . A 35 ILE HG21 . 17425 1 369 . 1 1 34 34 ILE HG22 H 1 0.3698 0.02 . 1 . . . A 35 ILE HG21 . 17425 1 370 . 1 1 34 34 ILE HG23 H 1 0.3698 0.02 . 1 . . . A 35 ILE HG21 . 17425 1 371 . 1 1 34 34 ILE HD11 H 1 0.4688 0.02 . 1 . . . A 35 ILE HD11 . 17425 1 372 . 1 1 34 34 ILE HD12 H 1 0.4688 0.02 . 1 . . . A 35 ILE HD11 . 17425 1 373 . 1 1 34 34 ILE HD13 H 1 0.4688 0.02 . 1 . . . A 35 ILE HD11 . 17425 1 374 . 1 1 34 34 ILE CA C 13 64.5157 0.05 . 1 . . . A 35 ILE CA . 17425 1 375 . 1 1 34 34 ILE CB C 13 34.5589 0.05 . 1 . . . A 35 ILE CB . 17425 1 376 . 1 1 34 34 ILE CG1 C 13 26.7946 0.05 . 1 . . . A 35 ILE CG1 . 17425 1 377 . 1 1 34 34 ILE CG2 C 13 16.5699 0.05 . 1 . . . A 35 ILE CG2 . 17425 1 378 . 1 1 34 34 ILE CD1 C 13 11.3727 0.05 . 1 . . . A 35 ILE CD1 . 17425 1 379 . 1 1 34 34 ILE N N 15 123.8513 0.05 . 1 . . . A 35 ILE N . 17425 1 380 . 1 1 35 35 LYS H H 1 8.0890 0.02 . 1 . . . A 36 LYS H . 17425 1 381 . 1 1 35 35 LYS HA H 1 3.9426 0.02 . 1 . . . A 36 LYS HA . 17425 1 382 . 1 1 35 35 LYS HB2 H 1 2.6484 0.02 . 1 . . . A 36 LYS HB2 . 17425 1 383 . 1 1 35 35 LYS HB3 H 1 1.9700 0.02 . 1 . . . A 36 LYS HB3 . 17425 1 384 . 1 1 35 35 LYS CA C 13 57.1277 0.05 . 1 . . . A 36 LYS CA . 17425 1 385 . 1 1 35 35 LYS CB C 13 33.9406 0.05 . 1 . . . A 36 LYS CB . 17425 1 386 . 1 1 35 35 LYS CG C 13 23.3953 0.05 . 1 . . . A 36 LYS CG . 17425 1 387 . 1 1 35 35 LYS CD C 13 26.5528 0.05 . 1 . . . A 36 LYS CD . 17425 1 388 . 1 1 35 35 LYS N N 15 119.4196 0.05 . 1 . . . A 36 LYS N . 17425 1 389 . 1 1 36 36 ASN H H 1 8.4230 0.02 . 1 . . . A 37 ASN H . 17425 1 390 . 1 1 36 36 ASN HA H 1 4.6206 0.02 . 1 . . . A 37 ASN HA . 17425 1 391 . 1 1 36 36 ASN HB2 H 1 3.0518 0.02 . 1 . . . A 37 ASN HB2 . 17425 1 392 . 1 1 36 36 ASN HB3 H 1 2.9788 0.02 . 1 . . . A 37 ASN HB3 . 17425 1 393 . 1 1 36 36 ASN CA C 13 52.2935 0.05 . 1 . . . A 37 ASN CA . 17425 1 394 . 1 1 36 36 ASN CB C 13 35.7802 0.05 . 1 . . . A 37 ASN CB . 17425 1 395 . 1 1 36 36 ASN N N 15 116.8209 0.05 . 1 . . . A 37 ASN N . 17425 1 396 . 1 1 37 37 ASN HA H 1 4.9641 0.02 . 1 . . . A 38 ASN HA . 17425 1 397 . 1 1 37 37 ASN HB2 H 1 2.7394 0.02 . 2 . . . A 38 ASN HB2 . 17425 1 398 . 1 1 37 37 ASN HB3 H 1 2.5141 0.02 . 2 . . . A 38 ASN HB3 . 17425 1 399 . 1 1 37 37 ASN HD21 H 1 7.6371 0.02 . 2 . . . A 38 ASN HD21 . 17425 1 400 . 1 1 37 37 ASN HD22 H 1 8.1062 0.02 . 2 . . . A 38 ASN HD22 . 17425 1 401 . 1 1 37 37 ASN CA C 13 52.0545 0.05 . 1 . . . A 38 ASN CA . 17425 1 402 . 1 1 37 37 ASN CB C 13 39.7832 0.05 . 1 . . . A 38 ASN CB . 17425 1 403 . 1 1 37 37 ASN N N 15 117.2688 0.05 . 1 . . . A 38 ASN N . 17425 1 404 . 1 1 37 37 ASN ND2 N 15 116.1417 0.05 . 1 . . . A 38 ASN ND2 . 17425 1 405 . 1 1 38 38 MET H H 1 7.8350 0.02 . 1 . . . A 39 MET H . 17425 1 406 . 1 1 38 38 MET HA H 1 4.1698 0.02 . 1 . . . A 39 MET HA . 17425 1 407 . 1 1 38 38 MET HB2 H 1 2.2023 0.02 . 1 . . . A 39 MET HB2 . 17425 1 408 . 1 1 38 38 MET HB3 H 1 2.0930 0.02 . 1 . . . A 39 MET HB3 . 17425 1 409 . 1 1 38 38 MET HG2 H 1 2.6680 0.02 . 1 . . . A 39 MET HG2 . 17425 1 410 . 1 1 38 38 MET HG3 H 1 2.5680 0.02 . 1 . . . A 39 MET HG3 . 17425 1 411 . 1 1 38 38 MET CA C 13 55.7938 0.05 . 1 . . . A 39 MET CA . 17425 1 412 . 1 1 38 38 MET CB C 13 30.2056 0.05 . 1 . . . A 39 MET CB . 17425 1 413 . 1 1 38 38 MET CG C 13 29.7129 0.05 . 1 . . . A 39 MET CG . 17425 1 414 . 1 1 38 38 MET N N 15 119.3981 0.05 . 1 . . . A 39 MET N . 17425 1 415 . 1 1 39 39 GLN H H 1 8.3880 0.02 . 1 . . . A 40 GLN H . 17425 1 416 . 1 1 39 39 GLN HA H 1 4.1384 0.02 . 1 . . . A 40 GLN HA . 17425 1 417 . 1 1 39 39 GLN HB2 H 1 2.1240 0.02 . 1 . . . A 40 GLN HB2 . 17425 1 418 . 1 1 39 39 GLN HB3 H 1 2.1240 0.02 . 1 . . . A 40 GLN HB3 . 17425 1 419 . 1 1 39 39 GLN HG2 H 1 2.4230 0.02 . 1 . . . A 40 GLN HG2 . 17425 1 420 . 1 1 39 39 GLN HG3 H 1 2.4230 0.02 . 1 . . . A 40 GLN HG3 . 17425 1 421 . 1 1 39 39 GLN CA C 13 55.7503 0.05 . 1 . . . A 40 GLN CA . 17425 1 422 . 1 1 39 39 GLN CB C 13 28.6569 0.05 . 1 . . . A 40 GLN CB . 17425 1 423 . 1 1 39 39 GLN CG C 13 31.3139 0.05 . 1 . . . A 40 GLN CG . 17425 1 424 . 1 1 39 39 GLN N N 15 119.1486 0.05 . 1 . . . A 40 GLN N . 17425 1 425 . 1 1 40 40 GLU H H 1 8.2450 0.02 . 1 . . . A 41 GLU H . 17425 1 426 . 1 1 40 40 GLU HA H 1 4.2130 0.02 . 1 . . . A 41 GLU HA . 17425 1 427 . 1 1 40 40 GLU HB2 H 1 2.1540 0.02 . 2 . . . A 41 GLU HB2 . 17425 1 428 . 1 1 40 40 GLU HB3 H 1 2.1540 0.02 . 2 . . . A 41 GLU HB3 . 17425 1 429 . 1 1 40 40 GLU HG2 H 1 2.3880 0.02 . 2 . . . A 41 GLU HG2 . 17425 1 430 . 1 1 40 40 GLU HG3 H 1 2.3880 0.02 . 2 . . . A 41 GLU HG3 . 17425 1 431 . 1 1 40 40 GLU CA C 13 55.7129 0.05 . 1 . . . A 41 GLU CA . 17425 1 432 . 1 1 40 40 GLU CB C 13 27.2063 0.05 . 1 . . . A 41 GLU CB . 17425 1 433 . 1 1 40 40 GLU CG C 13 33.8652 0.05 . 1 . . . A 41 GLU CG . 17425 1 434 . 1 1 40 40 GLU N N 15 121.5082 0.05 . 1 . . . A 41 GLU N . 17425 1 435 . 1 1 41 41 ILE H H 1 8.2790 0.02 . 1 . . . A 42 ILE H . 17425 1 436 . 1 1 41 41 ILE HA H 1 3.9714 0.02 . 1 . . . A 42 ILE HA . 17425 1 437 . 1 1 41 41 ILE HB H 1 1.7797 0.02 . 1 . . . A 42 ILE HB . 17425 1 438 . 1 1 41 41 ILE HG12 H 1 1.5147 0.02 . 1 . . . A 42 ILE HG12 . 17425 1 439 . 1 1 41 41 ILE HG13 H 1 0.8509 0.02 . 1 . . . A 42 ILE HG13 . 17425 1 440 . 1 1 41 41 ILE HG21 H 1 0.8371 0.02 . 1 . . . A 42 ILE HG21 . 17425 1 441 . 1 1 41 41 ILE HG22 H 1 0.8371 0.02 . 1 . . . A 42 ILE HG21 . 17425 1 442 . 1 1 41 41 ILE HG23 H 1 0.8371 0.02 . 1 . . . A 42 ILE HG21 . 17425 1 443 . 1 1 41 41 ILE HD11 H 1 0.6566 0.02 . 1 . . . A 42 ILE HD11 . 17425 1 444 . 1 1 41 41 ILE HD12 H 1 0.6566 0.02 . 1 . . . A 42 ILE HD11 . 17425 1 445 . 1 1 41 41 ILE HD13 H 1 0.6566 0.02 . 1 . . . A 42 ILE HD11 . 17425 1 446 . 1 1 41 41 ILE CA C 13 61.0594 0.05 . 1 . . . A 42 ILE CA . 17425 1 447 . 1 1 41 41 ILE CB C 13 35.8450 0.05 . 1 . . . A 42 ILE CB . 17425 1 448 . 1 1 41 41 ILE CG1 C 13 25.8316 0.05 . 1 . . . A 42 ILE CG1 . 17425 1 449 . 1 1 41 41 ILE CG2 C 13 16.8000 0.05 . 1 . . . A 42 ILE CG2 . 17425 1 450 . 1 1 41 41 ILE CD1 C 13 12.4189 0.05 . 1 . . . A 42 ILE CD1 . 17425 1 451 . 1 1 41 41 ILE N N 15 120.7425 0.05 . 1 . . . A 42 ILE N . 17425 1 452 . 1 1 42 42 SER H H 1 8.2020 0.02 . 1 . . . A 43 SER H . 17425 1 453 . 1 1 42 42 SER HA H 1 4.3075 0.02 . 1 . . . A 43 SER HA . 17425 1 454 . 1 1 42 42 SER HB2 H 1 3.9130 0.02 . 1 . . . A 43 SER HB2 . 17425 1 455 . 1 1 42 42 SER HB3 H 1 3.9130 0.02 . 1 . . . A 43 SER HB3 . 17425 1 456 . 1 1 42 42 SER CA C 13 57.9918 0.05 . 1 . . . A 43 SER CA . 17425 1 457 . 1 1 42 42 SER CB C 13 60.7276 0.05 . 1 . . . A 43 SER CB . 17425 1 458 . 1 1 42 42 SER N N 15 115.8301 0.05 . 1 . . . A 43 SER N . 17425 1 459 . 1 1 43 43 SER H H 1 8.1903 0.02 . 1 . . . A 44 SER H . 17425 1 460 . 1 1 43 43 SER HA H 1 4.3337 0.02 . 1 . . . A 44 SER HA . 17425 1 461 . 1 1 43 43 SER HB2 H 1 3.9750 0.02 . 1 . . . A 44 SER HB2 . 17425 1 462 . 1 1 43 43 SER HB3 H 1 3.9750 0.02 . 1 . . . A 44 SER HB3 . 17425 1 463 . 1 1 43 43 SER CA C 13 57.3926 0.05 . 1 . . . A 44 SER CA . 17425 1 464 . 1 1 43 43 SER CB C 13 60.6413 0.05 . 1 . . . A 44 SER CB . 17425 1 465 . 1 1 43 43 SER N N 15 117.3294 0.05 . 1 . . . A 44 SER N . 17425 1 466 . 1 1 44 44 GLU H H 1 8.2080 0.02 . 1 . . . A 45 GLU H . 17425 1 467 . 1 1 44 44 GLU HA H 1 4.1836 0.02 . 1 . . . A 45 GLU HA . 17425 1 468 . 1 1 44 44 GLU HB2 H 1 2.1240 0.02 . 1 . . . A 45 GLU HB2 . 17425 1 469 . 1 1 44 44 GLU HB3 H 1 2.1240 0.02 . 1 . . . A 45 GLU HB3 . 17425 1 470 . 1 1 44 44 GLU HG2 H 1 2.3704 0.02 . 1 . . . A 45 GLU HG2 . 17425 1 471 . 1 1 44 44 GLU HG3 H 1 2.2736 0.02 . 1 . . . A 45 GLU HG3 . 17425 1 472 . 1 1 44 44 GLU CA C 13 55.5387 0.05 . 1 . . . A 45 GLU CA . 17425 1 473 . 1 1 44 44 GLU CB C 13 27.0729 0.05 . 1 . . . A 45 GLU CB . 17425 1 474 . 1 1 44 44 GLU CG C 13 33.6949 0.05 . 1 . . . A 45 GLU CG . 17425 1 475 . 1 1 44 44 GLU N N 15 122.4713 0.05 . 1 . . . A 45 GLU N . 17425 1 476 . 1 1 45 45 LEU H H 1 8.0430 0.02 . 1 . . . A 46 LEU H . 17425 1 477 . 1 1 45 45 LEU HA H 1 4.2457 0.02 . 1 . . . A 46 LEU HA . 17425 1 478 . 1 1 45 45 LEU HB2 H 1 1.7120 0.02 . 1 . . . A 46 LEU HB2 . 17425 1 479 . 1 1 45 45 LEU HB3 H 1 1.7120 0.02 . 1 . . . A 46 LEU HB3 . 17425 1 480 . 1 1 45 45 LEU HG H 1 1.7144 0.02 . 1 . . . A 46 LEU HG . 17425 1 481 . 1 1 45 45 LEU HD11 H 1 0.9050 0.02 . 1 . . . A 46 LEU HD11 . 17425 1 482 . 1 1 45 45 LEU HD12 H 1 0.9050 0.02 . 1 . . . A 46 LEU HD11 . 17425 1 483 . 1 1 45 45 LEU HD13 H 1 0.9050 0.02 . 1 . . . A 46 LEU HD11 . 17425 1 484 . 1 1 45 45 LEU HD21 H 1 0.8392 0.02 . 1 . . . A 46 LEU HD21 . 17425 1 485 . 1 1 45 45 LEU HD22 H 1 0.8392 0.02 . 1 . . . A 46 LEU HD21 . 17425 1 486 . 1 1 45 45 LEU HD23 H 1 0.8392 0.02 . 1 . . . A 46 LEU HD21 . 17425 1 487 . 1 1 45 45 LEU CA C 13 53.8506 0.05 . 1 . . . A 46 LEU CA . 17425 1 488 . 1 1 45 45 LEU CB C 13 39.2495 0.05 . 1 . . . A 46 LEU CB . 17425 1 489 . 1 1 45 45 LEU CG C 13 24.0185 0.05 . 1 . . . A 46 LEU CG . 17425 1 490 . 1 1 45 45 LEU CD1 C 13 21.3589 0.05 . 1 . . . A 46 LEU CD1 . 17425 1 491 . 1 1 45 45 LEU CD2 C 13 15.1575 0.05 . 1 . . . A 46 LEU CD2 . 17425 1 492 . 1 1 45 45 LEU N N 15 121.2307 0.05 . 1 . . . A 46 LEU N . 17425 1 493 . 1 1 46 46 GLN H H 1 8.1020 0.02 . 1 . . . A 47 GLN H . 17425 1 494 . 1 1 46 46 GLN HA H 1 4.2415 0.02 . 1 . . . A 47 GLN HA . 17425 1 495 . 1 1 46 46 GLN HB2 H 1 2.0970 0.02 . 1 . . . A 47 GLN HB2 . 17425 1 496 . 1 1 46 46 GLN HB3 H 1 2.0970 0.02 . 1 . . . A 47 GLN HB3 . 17425 1 497 . 1 1 46 46 GLN HG2 H 1 2.4130 0.02 . 1 . . . A 47 GLN HG2 . 17425 1 498 . 1 1 46 46 GLN HG3 H 1 2.4130 0.02 . 1 . . . A 47 GLN HG3 . 17425 1 499 . 1 1 46 46 GLN CA C 13 54.3504 0.05 . 1 . . . A 47 GLN CA . 17425 1 500 . 1 1 46 46 GLN CB C 13 26.2805 0.05 . 1 . . . A 47 GLN CB . 17425 1 501 . 1 1 46 46 GLN CG C 13 31.4095 0.05 . 1 . . . A 47 GLN CG . 17425 1 502 . 1 1 46 46 GLN N N 15 119.3457 0.05 . 1 . . . A 47 GLN N . 17425 1 503 . 1 1 47 47 GLN H H 1 8.1830 0.02 . 1 . . . A 48 GLN H . 17425 1 504 . 1 1 47 47 GLN HA H 1 4.2800 0.02 . 1 . . . A 48 GLN HA . 17425 1 505 . 1 1 47 47 GLN HB2 H 1 2.1544 0.02 . 1 . . . A 48 GLN HB2 . 17425 1 506 . 1 1 47 47 GLN HB3 H 1 2.0539 0.02 . 1 . . . A 48 GLN HB3 . 17425 1 507 . 1 1 47 47 GLN HG2 H 1 2.4220 0.02 . 1 . . . A 48 GLN HG2 . 17425 1 508 . 1 1 47 47 GLN HG3 H 1 2.4220 0.02 . 1 . . . A 48 GLN HG3 . 17425 1 509 . 1 1 47 47 GLN CA C 13 54.1564 0.05 . 1 . . . A 48 GLN CA . 17425 1 510 . 1 1 47 47 GLN CB C 13 26.4907 0.05 . 1 . . . A 48 GLN CB . 17425 1 511 . 1 1 47 47 GLN CG C 13 31.3425 0.05 . 1 . . . A 48 GLN CG . 17425 1 512 . 1 1 47 47 GLN N N 15 119.7422 0.05 . 1 . . . A 48 GLN N . 17425 1 513 . 1 1 48 48 SER H H 1 8.2360 0.02 . 1 . . . A 49 SER H . 17425 1 514 . 1 1 48 48 SER HA H 1 4.3390 0.02 . 1 . . . A 49 SER HA . 17425 1 515 . 1 1 48 48 SER HB2 H 1 3.9510 0.02 . 1 . . . A 49 SER HB2 . 17425 1 516 . 1 1 48 48 SER HB3 H 1 3.9510 0.02 . 1 . . . A 49 SER HB3 . 17425 1 517 . 1 1 48 48 SER CA C 13 56.7763 0.05 . 1 . . . A 49 SER CA . 17425 1 518 . 1 1 48 48 SER CB C 13 61.1429 0.05 . 1 . . . A 49 SER CB . 17425 1 519 . 1 1 48 48 SER N N 15 116.4459 0.05 . 1 . . . A 49 SER N . 17425 1 520 . 1 1 49 49 GLU H H 1 8.4190 0.02 . 1 . . . A 50 GLU H . 17425 1 521 . 1 1 49 49 GLU HA H 1 4.1960 0.02 . 1 . . . A 50 GLU HA . 17425 1 522 . 1 1 49 49 GLU HB2 H 1 2.0180 0.02 . 1 . . . A 50 GLU HB2 . 17425 1 523 . 1 1 49 49 GLU HB3 H 1 2.0180 0.02 . 1 . . . A 50 GLU HB3 . 17425 1 524 . 1 1 49 49 GLU HG2 H 1 2.2810 0.02 . 1 . . . A 50 GLU HG2 . 17425 1 525 . 1 1 49 49 GLU HG3 H 1 2.2810 0.02 . 1 . . . A 50 GLU HG3 . 17425 1 526 . 1 1 49 49 GLU CA C 13 55.0899 0.05 . 1 . . . A 50 GLU CA . 17425 1 527 . 1 1 49 49 GLU CB C 13 27.2345 0.05 . 1 . . . A 50 GLU CB . 17425 1 528 . 1 1 49 49 GLU CG C 13 33.7199 0.05 . 1 . . . A 50 GLU CG . 17425 1 529 . 1 1 49 49 GLU N N 15 122.4690 0.05 . 1 . . . A 50 GLU N . 17425 1 530 . 1 1 50 50 GLN H H 1 8.2680 0.02 . 1 . . . A 51 GLN H . 17425 1 531 . 1 1 50 50 GLN HA H 1 4.2175 0.02 . 1 . . . A 51 GLN HA . 17425 1 532 . 1 1 50 50 GLN HB2 H 1 2.0620 0.02 . 1 . . . A 51 GLN HB2 . 17425 1 533 . 1 1 50 50 GLN HB3 H 1 2.0620 0.02 . 1 . . . A 51 GLN HB3 . 17425 1 534 . 1 1 50 50 GLN HG2 H 1 2.4220 0.02 . 1 . . . A 51 GLN HG2 . 17425 1 535 . 1 1 50 50 GLN HG3 H 1 2.4220 0.02 . 1 . . . A 51 GLN HG3 . 17425 1 536 . 1 1 50 50 GLN CA C 13 54.6901 0.05 . 1 . . . A 51 GLN CA . 17425 1 537 . 1 1 50 50 GLN CB C 13 26.1376 0.05 . 1 . . . A 51 GLN CB . 17425 1 538 . 1 1 50 50 GLN CG C 13 31.3358 0.05 . 1 . . . A 51 GLN CG . 17425 1 539 . 1 1 50 50 GLN N N 15 119.6746 0.05 . 1 . . . A 51 GLN N . 17425 1 540 . 1 1 51 51 SER H H 1 8.1190 0.02 . 1 . . . A 52 SER H . 17425 1 541 . 1 1 51 51 SER HA H 1 4.3539 0.02 . 1 . . . A 52 SER HA . 17425 1 542 . 1 1 51 51 SER HB2 H 1 3.9308 0.02 . 1 . . . A 52 SER HB2 . 17425 1 543 . 1 1 51 51 SER HB3 H 1 3.9308 0.02 . 1 . . . A 52 SER HB3 . 17425 1 544 . 1 1 51 51 SER CA C 13 57.1494 0.05 . 1 . . . A 52 SER CA . 17425 1 545 . 1 1 51 51 SER CB C 13 60.8923 0.05 . 1 . . . A 52 SER CB . 17425 1 546 . 1 1 51 51 SER N N 15 115.4757 0.05 . 1 . . . A 52 SER N . 17425 1 547 . 1 1 52 52 LYS H H 1 8.0160 0.02 . 1 . . . A 53 LYS H . 17425 1 548 . 1 1 52 52 LYS HA H 1 4.2573 0.02 . 1 . . . A 53 LYS HA . 17425 1 549 . 1 1 52 52 LYS HB2 H 1 1.8290 0.02 . 1 . . . A 53 LYS HB2 . 17425 1 550 . 1 1 52 52 LYS HB3 H 1 1.8290 0.02 . 1 . . . A 53 LYS HB3 . 17425 1 551 . 1 1 52 52 LYS CA C 13 54.5023 0.05 . 1 . . . A 53 LYS CA . 17425 1 552 . 1 1 52 52 LYS CB C 13 30.0701 0.05 . 1 . . . A 53 LYS CB . 17425 1 553 . 1 1 52 52 LYS N N 15 122.3818 0.05 . 1 . . . A 53 LYS N . 17425 1 554 . 1 1 53 53 GLN H H 1 8.0652 0.02 . 1 . . . A 54 GLN H . 17425 1 555 . 1 1 53 53 GLN HA H 1 4.2827 0.02 . 1 . . . A 54 GLN HA . 17425 1 556 . 1 1 53 53 GLN HB2 H 1 2.9067 0.02 . 1 . . . A 54 GLN HB2 . 17425 1 557 . 1 1 53 53 GLN HB3 H 1 2.8296 0.02 . 1 . . . A 54 GLN HB3 . 17425 1 558 . 1 1 53 53 GLN HG2 H 1 2.3880 0.02 . 1 . . . A 54 GLN HG2 . 17425 1 559 . 1 1 53 53 GLN HG3 H 1 2.3880 0.02 . 1 . . . A 54 GLN HG3 . 17425 1 560 . 1 1 53 53 GLN CA C 13 53.7855 0.05 . 1 . . . A 54 GLN CA . 17425 1 561 . 1 1 53 53 GLN CB C 13 28.2363 0.05 . 1 . . . A 54 GLN CB . 17425 1 562 . 1 1 53 53 GLN CG C 13 31.3047 0.05 . 1 . . . A 54 GLN CG . 17425 1 563 . 1 1 53 53 GLN N N 15 119.8918 0.05 . 1 . . . A 54 GLN N . 17425 1 564 . 1 1 54 54 LYS CA C 13 54.1870 0.05 . 1 . . . A 55 LYS CA . 17425 1 565 . 1 1 54 54 LYS CB C 13 29.6656 0.05 . 1 . . . A 55 LYS CB . 17425 1 566 . 1 1 55 55 GLN H H 1 8.1610 0.02 . 1 . . . A 56 GLN H . 17425 1 567 . 1 1 55 55 GLN HA H 1 4.2724 0.02 . 1 . . . A 56 GLN HA . 17425 1 568 . 1 1 55 55 GLN HB2 H 1 2.2197 0.02 . 1 . . . A 56 GLN HB2 . 17425 1 569 . 1 1 55 55 GLN HB3 H 1 1.9347 0.02 . 1 . . . A 56 GLN HB3 . 17425 1 570 . 1 1 55 55 GLN CA C 13 53.3757 0.05 . 1 . . . A 56 GLN CA . 17425 1 571 . 1 1 55 55 GLN CB C 13 26.6447 0.05 . 1 . . . A 56 GLN CB . 17425 1 572 . 1 1 55 55 GLN N N 15 120.2940 0.05 . 1 . . . A 56 GLN N . 17425 1 573 . 1 1 56 56 TYR H H 1 8.1850 0.02 . 1 . . . A 57 TYR H . 17425 1 574 . 1 1 56 56 TYR HA H 1 4.2724 0.02 . 1 . . . A 57 TYR HA . 17425 1 575 . 1 1 56 56 TYR HB2 H 1 3.0918 0.02 . 1 . . . A 57 TYR HB2 . 17425 1 576 . 1 1 56 56 TYR HB3 H 1 2.9216 0.02 . 1 . . . A 57 TYR HB3 . 17425 1 577 . 1 1 56 56 TYR CA C 13 55.5174 0.05 . 1 . . . A 57 TYR CA . 17425 1 578 . 1 1 56 56 TYR CB C 13 36.0977 0.05 . 1 . . . A 57 TYR CB . 17425 1 579 . 1 1 56 56 TYR N N 15 119.3436 0.05 . 1 . . . A 57 TYR N . 17425 1 580 . 1 1 57 57 GLY H H 1 8.1960 0.02 . 1 . . . A 58 GLY H . 17425 1 581 . 1 1 57 57 GLY HA2 H 1 3.8820 0.02 . 1 . . . A 58 GLY HA2 . 17425 1 582 . 1 1 57 57 GLY HA3 H 1 3.8820 0.02 . 1 . . . A 58 GLY HA3 . 17425 1 583 . 1 1 57 57 GLY CA C 13 43.0814 0.05 . 1 . . . A 58 GLY CA . 17425 1 584 . 1 1 57 57 GLY N N 15 110.1550 0.05 . 1 . . . A 58 GLY N . 17425 1 585 . 1 1 58 58 THR H H 1 8.0600 0.02 . 1 . . . A 59 THR H . 17425 1 586 . 1 1 58 58 THR CA C 13 59.9320 0.05 . 1 . . . A 59 THR CA . 17425 1 587 . 1 1 58 58 THR CB C 13 67.1610 0.05 . 1 . . . A 59 THR CB . 17425 1 588 . 1 1 58 58 THR N N 15 113.5620 0.05 . 1 . . . A 59 THR N . 17425 1 589 . 1 1 59 59 THR HA H 1 4.3763 0.02 . 1 . . . A 60 THR HA . 17425 1 590 . 1 1 59 59 THR HB H 1 4.2358 0.02 . 1 . . . A 60 THR HB . 17425 1 591 . 1 1 59 59 THR HG21 H 1 1.1906 0.02 . 1 . . . A 60 THR HG21 . 17425 1 592 . 1 1 59 59 THR HG22 H 1 1.1906 0.02 . 1 . . . A 60 THR HG21 . 17425 1 593 . 1 1 59 59 THR HG23 H 1 1.1906 0.02 . 1 . . . A 60 THR HG21 . 17425 1 594 . 1 1 59 59 THR CA C 13 62.7049 0.05 . 1 . . . A 60 THR CA . 17425 1 595 . 1 1 59 59 THR CB C 13 67.0511 0.05 . 1 . . . A 60 THR CB . 17425 1 596 . 1 1 59 59 THR CG2 C 13 25.4443 0.05 . 1 . . . A 60 THR CG2 . 17425 1 597 . 1 1 60 60 LEU H H 1 8.1960 0.02 . 1 . . . A 61 LEU H . 17425 1 598 . 1 1 60 60 LEU HA H 1 4.2728 0.02 . 1 . . . A 61 LEU HA . 17425 1 599 . 1 1 60 60 LEU HB2 H 1 1.6570 0.02 . 1 . . . A 61 LEU HB2 . 17425 1 600 . 1 1 60 60 LEU HB3 H 1 1.5911 0.02 . 1 . . . A 61 LEU HB3 . 17425 1 601 . 1 1 60 60 LEU HG H 1 1.6222 0.02 . 1 . . . A 61 LEU HG . 17425 1 602 . 1 1 60 60 LEU HD11 H 1 0.8300 0.02 . 1 . . . A 61 LEU HD11 . 17425 1 603 . 1 1 60 60 LEU HD12 H 1 0.8300 0.02 . 1 . . . A 61 LEU HD11 . 17425 1 604 . 1 1 60 60 LEU HD13 H 1 0.8300 0.02 . 1 . . . A 61 LEU HD11 . 17425 1 605 . 1 1 60 60 LEU CA C 13 52.8426 0.05 . 1 . . . A 61 LEU CA . 17425 1 606 . 1 1 60 60 LEU CB C 13 39.4459 0.05 . 1 . . . A 61 LEU CB . 17425 1 607 . 1 1 60 60 LEU CG C 13 24.0787 0.05 . 1 . . . A 61 LEU CG . 17425 1 608 . 1 1 60 60 LEU CD1 C 13 20.9070 0.05 . 1 . . . A 61 LEU CD1 . 17425 1 609 . 1 1 60 60 LEU N N 15 123.7434 0.05 . 1 . . . A 61 LEU N . 17425 1 610 . 1 1 61 61 GLN H H 1 8.2370 0.02 . 1 . . . A 62 GLN H . 17425 1 611 . 1 1 61 61 GLN HA H 1 4.2481 0.02 . 1 . . . A 62 GLN HA . 17425 1 612 . 1 1 61 61 GLN HB2 H 1 2.0130 0.02 . 1 . . . A 62 GLN HB2 . 17425 1 613 . 1 1 61 61 GLN HB3 H 1 2.0130 0.02 . 1 . . . A 62 GLN HB3 . 17425 1 614 . 1 1 61 61 GLN HG2 H 1 2.3526 0.02 . 1 . . . A 62 GLN HG2 . 17425 1 615 . 1 1 61 61 GLN HG3 H 1 2.0772 0.02 . 1 . . . A 62 GLN HG3 . 17425 1 616 . 1 1 61 61 GLN CA C 13 53.8545 0.05 . 1 . . . A 62 GLN CA . 17425 1 617 . 1 1 61 61 GLN CB C 13 26.6401 0.05 . 1 . . . A 62 GLN CB . 17425 1 618 . 1 1 61 61 GLN CG C 13 34.0293 0.05 . 1 . . . A 62 GLN CG . 17425 1 619 . 1 1 61 61 GLN N N 15 120.1698 0.05 . 1 . . . A 62 GLN N . 17425 1 620 . 1 1 62 62 ASN H H 1 8.2770 0.02 . 1 . . . A 63 ASN H . 17425 1 621 . 1 1 62 62 ASN HA H 1 4.5755 0.02 . 1 . . . A 63 ASN HA . 17425 1 622 . 1 1 62 62 ASN HB2 H 1 2.7270 0.02 . 1 . . . A 63 ASN HB2 . 17425 1 623 . 1 1 62 62 ASN HB3 H 1 2.5860 0.02 . 1 . . . A 63 ASN HB3 . 17425 1 624 . 1 1 62 62 ASN CA C 13 52.0007 0.05 . 1 . . . A 63 ASN CA . 17425 1 625 . 1 1 62 62 ASN CB C 13 38.3542 0.05 . 1 . . . A 63 ASN CB . 17425 1 626 . 1 1 62 62 ASN N N 15 120.9428 0.05 . 1 . . . A 63 ASN N . 17425 1 627 . 1 1 63 63 LEU H H 1 8.0600 0.02 . 1 . . . A 64 LEU H . 17425 1 628 . 1 1 63 63 LEU HA H 1 4.2484 0.02 . 1 . . . A 64 LEU HA . 17425 1 629 . 1 1 63 63 LEU HB2 H 1 1.6240 0.02 . 1 . . . A 64 LEU HB2 . 17425 1 630 . 1 1 63 63 LEU HB3 H 1 1.6240 0.02 . 1 . . . A 64 LEU HB3 . 17425 1 631 . 1 1 63 63 LEU HG H 1 1.5886 0.02 . 1 . . . A 64 LEU HG . 17425 1 632 . 1 1 63 63 LEU HD11 H 1 0.9573 0.02 . 1 . . . A 64 LEU HD11 . 17425 1 633 . 1 1 63 63 LEU HD12 H 1 0.9573 0.02 . 1 . . . A 64 LEU HD11 . 17425 1 634 . 1 1 63 63 LEU HD13 H 1 0.9573 0.02 . 1 . . . A 64 LEU HD11 . 17425 1 635 . 1 1 63 63 LEU CA C 13 53.2632 0.05 . 1 . . . A 64 LEU CA . 17425 1 636 . 1 1 63 63 LEU CB C 13 39.5795 0.05 . 1 . . . A 64 LEU CB . 17425 1 637 . 1 1 63 63 LEU CG C 13 24.2325 0.05 . 1 . . . A 64 LEU CG . 17425 1 638 . 1 1 63 63 LEU CD1 C 13 21.3813 0.05 . 1 . . . A 64 LEU CD1 . 17425 1 639 . 1 1 63 63 LEU CD2 C 13 21.3813 0.05 . 1 . . . A 64 LEU CD1 . 17425 1 640 . 1 1 63 63 LEU N N 15 122.4438 0.05 . 1 . . . A 64 LEU N . 17425 1 641 . 1 1 64 64 ALA H H 1 8.0700 0.02 . 1 . . . A 65 ALA H . 17425 1 642 . 1 1 64 64 ALA HA H 1 4.2486 0.02 . 1 . . . A 65 ALA HA . 17425 1 643 . 1 1 64 64 ALA HB1 H 1 1.3870 0.02 . 1 . . . A 65 ALA HB1 . 17425 1 644 . 1 1 64 64 ALA HB2 H 1 1.3870 0.02 . 1 . . . A 65 ALA HB1 . 17425 1 645 . 1 1 64 64 ALA HB3 H 1 1.3870 0.02 . 1 . . . A 65 ALA HB1 . 17425 1 646 . 1 1 64 64 ALA CA C 13 50.3965 0.05 . 1 . . . A 65 ALA CA . 17425 1 647 . 1 1 64 64 ALA CB C 13 16.2650 0.05 . 1 . . . A 65 ALA CB . 17425 1 648 . 1 1 64 64 ALA N N 15 123.5990 0.05 . 1 . . . A 65 ALA N . 17425 1 649 . 1 1 65 65 LYS H H 1 8.0020 0.02 . 1 . . . A 66 LYS H . 17425 1 650 . 1 1 65 65 LYS HA H 1 4.2381 0.02 . 1 . . . A 66 LYS HA . 17425 1 651 . 1 1 65 65 LYS HB2 H 1 1.7819 0.02 . 1 . . . A 66 LYS HB2 . 17425 1 652 . 1 1 65 65 LYS HB3 H 1 1.7819 0.02 . 1 . . . A 66 LYS HB3 . 17425 1 653 . 1 1 65 65 LYS HG2 H 1 1.4270 0.02 . 1 . . . A 66 LYS HG2 . 17425 1 654 . 1 1 65 65 LYS HG3 H 1 1.4270 0.02 . 1 . . . A 66 LYS HG3 . 17425 1 655 . 1 1 65 65 LYS HD2 H 1 1.6550 0.02 . 1 . . . A 66 LYS HD2 . 17425 1 656 . 1 1 65 65 LYS HD3 H 1 1.6550 0.02 . 1 . . . A 66 LYS HD3 . 17425 1 657 . 1 1 65 65 LYS CA C 13 53.9138 0.05 . 1 . . . A 66 LYS CA . 17425 1 658 . 1 1 65 65 LYS CB C 13 29.9031 0.05 . 1 . . . A 66 LYS CB . 17425 1 659 . 1 1 65 65 LYS CD C 13 26.8687 0.05 . 1 . . . A 66 LYS CD . 17425 1 660 . 1 1 65 65 LYS N N 15 119.3902 0.05 . 1 . . . A 66 LYS N . 17425 1 661 . 1 1 68 68 ARG HA H 1 4.3438 0.02 . 1 . . . A 69 ARG HA . 17425 1 662 . 1 1 68 68 ARG HB2 H 1 2.0321 0.02 . 1 . . . A 69 ARG HB2 . 17425 1 663 . 1 1 68 68 ARG HB3 H 1 1.9051 0.02 . 1 . . . A 69 ARG HB3 . 17425 1 664 . 1 1 68 68 ARG CA C 13 53.6896 0.05 . 1 . . . A 69 ARG CA . 17425 1 665 . 1 1 68 68 ARG CB C 13 28.0128 0.05 . 1 . . . A 69 ARG CB . 17425 1 666 . 1 1 68 68 ARG N N 15 122.3328 0.05 . 1 . . . A 69 ARG N . 17425 1 667 . 1 1 69 69 ILE H H 1 8.1778 0.02 . 1 . . . A 70 ILE H . 17425 1 668 . 1 1 69 69 ILE HA H 1 4.1582 0.02 . 1 . . . A 70 ILE HA . 17425 1 669 . 1 1 69 69 ILE HB H 1 1.8251 0.02 . 1 . . . A 70 ILE HB . 17425 1 670 . 1 1 69 69 ILE HG12 H 1 1.4727 0.02 . 1 . . . A 70 ILE HG12 . 17425 1 671 . 1 1 69 69 ILE HG13 H 1 1.1708 0.02 . 1 . . . A 70 ILE HG13 . 17425 1 672 . 1 1 69 69 ILE HG21 H 1 0.8438 0.02 . 1 . . . A 70 ILE HG21 . 17425 1 673 . 1 1 69 69 ILE HG22 H 1 0.8438 0.02 . 1 . . . A 70 ILE HG21 . 17425 1 674 . 1 1 69 69 ILE HG23 H 1 0.8438 0.02 . 1 . . . A 70 ILE HG21 . 17425 1 675 . 1 1 69 69 ILE HD11 H 1 0.8435 0.02 . 1 . . . A 70 ILE HD11 . 17425 1 676 . 1 1 69 69 ILE HD12 H 1 0.8435 0.02 . 1 . . . A 70 ILE HD11 . 17425 1 677 . 1 1 69 69 ILE HD13 H 1 0.8435 0.02 . 1 . . . A 70 ILE HD11 . 17425 1 678 . 1 1 69 69 ILE CA C 13 58.2968 0.05 . 1 . . . A 70 ILE CA . 17425 1 679 . 1 1 69 69 ILE CB C 13 35.5282 0.05 . 1 . . . A 70 ILE CB . 17425 1 680 . 1 1 69 69 ILE CG1 C 13 24.3510 0.05 . 1 . . . A 70 ILE CG1 . 17425 1 681 . 1 1 69 69 ILE CG2 C 13 20.7174 0.05 . 1 . . . A 70 ILE CG2 . 17425 1 682 . 1 1 69 69 ILE CD1 C 13 14.7213 0.05 . 1 . . . A 70 ILE CD1 . 17425 1 683 . 1 1 69 69 ILE N N 15 122.8034 0.05 . 1 . . . A 70 ILE N . 17425 1 684 . 1 1 70 70 ILE H H 1 8.2190 0.02 . 1 . . . A 71 ILE H . 17425 1 685 . 1 1 70 70 ILE HA H 1 4.1280 0.02 . 1 . . . A 71 ILE HA . 17425 1 686 . 1 1 70 70 ILE HB H 1 1.8470 0.02 . 1 . . . A 71 ILE HB . 17425 1 687 . 1 1 70 70 ILE HG12 H 1 1.4515 0.02 . 1 . . . A 71 ILE HG12 . 17425 1 688 . 1 1 70 70 ILE HG13 H 1 1.1447 0.02 . 1 . . . A 71 ILE HG13 . 17425 1 689 . 1 1 70 70 ILE HG21 H 1 0.7272 0.02 . 1 . . . A 71 ILE HG21 . 17425 1 690 . 1 1 70 70 ILE HG22 H 1 0.7272 0.02 . 1 . . . A 71 ILE HG21 . 17425 1 691 . 1 1 70 70 ILE HG23 H 1 0.7272 0.02 . 1 . . . A 71 ILE HG21 . 17425 1 692 . 1 1 70 70 ILE HD11 H 1 0.8670 0.02 . 1 . . . A 71 ILE HD11 . 17425 1 693 . 1 1 70 70 ILE HD12 H 1 0.8670 0.02 . 1 . . . A 71 ILE HD11 . 17425 1 694 . 1 1 70 70 ILE HD13 H 1 0.8670 0.02 . 1 . . . A 71 ILE HD11 . 17425 1 695 . 1 1 70 70 ILE CA C 13 58.3742 0.05 . 1 . . . A 71 ILE CA . 17425 1 696 . 1 1 70 70 ILE CB C 13 35.8641 0.05 . 1 . . . A 71 ILE CB . 17425 1 697 . 1 1 70 70 ILE CG1 C 13 24.5056 0.05 . 1 . . . A 71 ILE CG1 . 17425 1 698 . 1 1 70 70 ILE CG2 C 13 21.6797 0.05 . 1 . . . A 71 ILE CG2 . 17425 1 699 . 1 1 70 70 ILE CD1 C 13 14.7486 0.05 . 1 . . . A 71 ILE CD1 . 17425 1 700 . 1 1 70 70 ILE N N 15 125.8328 0.05 . 1 . . . A 71 ILE N . 17425 1 701 . 1 1 71 71 LYS N N 15 119.9599 0.05 . 1 . . . A 72 LYS N . 17425 1 stop_ save_