data_18670 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18670 _Entry.Title ; Solution structure of the Sgt2 homodimerization domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-08-19 _Entry.Accession_date 2012-08-19 _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 Justin Chartron . W. . 18670 2 David VanderVelde . G. . 18670 3 William Clemons . M. Jr. 18670 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' . 18670 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'four-helix bundle' . 18670 'Get5 binding domain' . 18670 'GET pathway' . 18670 'protein-protein interaction' . 18670 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18670 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 284 18670 '15N chemical shifts' 70 18670 '1H chemical shifts' 426 18670 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 . . 2013-02-18 2012-08-19 update BMRB 'update entry citation' 18670 1 . . 2012-11-20 2012-08-19 original author 'original release' 18670 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18669 'Get5 ubiquitin-like domain' 18670 BMRB 18671 'complex between the Sgt2 homodimerization domain and the Get5 UBL domain' 18670 PDB 2lxa 'Solution structure of Get5, the Sgt2 binding partner' 18670 PDB 2LXB 'BMRB Entry Tracking System' 18670 PDB 4GOC 'Crystal structure of Get5, the Sgt2 binding partner' 18670 PDB 4GOD 'Crystal structure of the human homolog' 18670 PDB 4GOE 'Crystal structure of the human homolog' 18670 PDB 4GOF 'Crystal structure of the human homolog' 18670 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18670 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23142665 _Citation.Full_citation . _Citation.Title 'Structures of the Sgt2/SGTA dimerization domain with the Get5/UBL4A UBL domain reveal an interaction that forms a conserved dynamic interface.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Rep.' _Citation.Journal_name_full 'Cell reports' _Citation.Journal_volume 2 _Citation.Journal_issue 6 _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 1620 _Citation.Page_last 1632 _Citation.Year 2012 _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 Justin Chartron . W. . 18670 1 2 David VanderVelde . G. . 18670 1 3 William Clemons . M. Jr. 18670 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18670 _Assembly.ID 1 _Assembly.Name 'Sgt2 homodimerization domain' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'Sgt2 homodimerization domain, 1' 1 $Sgt2 A . yes native no no . . . 18670 1 2 'Sgt2 homodimerization domain, 2' 1 $Sgt2 B . yes native no no . . . 18670 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sgt2 _Entity.Sf_category entity _Entity.Sf_framecode Sgt2 _Entity.Entry_ID 18670 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Sgt2 _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 ; SVDSASKEEIAALIVNYFSS IVEKKEISEDGADSLNVAMD CISEAFGFEREAVSGILGKS EFKGQHLADILNSA ; _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 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7889.790 _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 BMRB 18341 . Sgt2_nt . . . . . 95.95 92 100.00 100.00 2.12e-40 . . . . 18670 1 2 no PDB 2LXB . "Solution Structure Of The Sgt2 Homodimerization Domain" . . . . . 100.00 74 100.00 100.00 3.30e-42 . . . . 18670 1 3 no PDB 2LXC . "Solution Structure Of The Complex Between The Sgt2 Homodimerization Domain And The Get5 Ubl Domain" . . . . . 100.00 74 100.00 100.00 3.30e-42 . . . . 18670 1 4 no PDB 3ZDM . "Crystal Structure Of The Sgt2 N Domain And The Get5 Ubl Domain Complex" . . . . . 95.95 72 100.00 100.00 3.29e-40 . . . . 18670 1 5 no PDB 4ASV . "Solution Structure Of The N-terminal Dimerisation Domain Of Sgt2" . . . . . 95.95 92 100.00 100.00 2.14e-40 . . . . 18670 1 6 no PDB 4ASW . "Structure Of The Complex Between The N-terminal Dimerisation Domain Of Sgt2 And The Ubl Domain Of Get5" . . . . . 95.95 92 100.00 100.00 2.14e-40 . . . . 18670 1 7 no DBJ GAA26330 . "K7_Sgt2p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 95.95 346 100.00 100.00 9.00e-39 . . . . 18670 1 8 no EMBL CAA99195 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 95.95 346 100.00 100.00 9.00e-39 . . . . 18670 1 9 no EMBL CAY86295 . "Sgt2p [Saccharomyces cerevisiae EC1118]" . . . . . 95.95 346 100.00 100.00 9.00e-39 . . . . 18670 1 10 no GB AAC49487 . "hypothetical protein UNF346 [Saccharomyces cerevisiae]" . . . . . 95.95 346 100.00 100.00 9.00e-39 . . . . 18670 1 11 no GB AHY77314 . "Sgt2p [Saccharomyces cerevisiae YJM993]" . . . . . 95.95 346 100.00 100.00 9.00e-39 . . . . 18670 1 12 no GB AJP41546 . "Sgt2p [Saccharomyces cerevisiae YJM1078]" . . . . . 95.95 346 100.00 100.00 9.00e-39 . . . . 18670 1 13 no GB AJT70966 . "Sgt2p [Saccharomyces cerevisiae YJM189]" . . . . . 95.95 346 100.00 100.00 9.00e-39 . . . . 18670 1 14 no GB AJT71456 . "Sgt2p [Saccharomyces cerevisiae YJM193]" . . . . . 95.95 346 100.00 100.00 9.00e-39 . . . . 18670 1 15 no REF NP_014649 . "Sgt2p [Saccharomyces cerevisiae S288c]" . . . . . 95.95 346 100.00 100.00 9.00e-39 . . . . 18670 1 16 no SP Q12118 . "RecName: Full=Small glutamine-rich tetratricopeptide repeat-containing protein 2; AltName: Full=SGT/UBP; AltName: Full=Viral pr" . . . . . 95.95 346 100.00 100.00 9.00e-39 . . . . 18670 1 17 no TPG DAA10789 . "TPA: Sgt2p [Saccharomyces cerevisiae S288c]" . . . . . 95.95 346 100.00 100.00 9.00e-39 . . . . 18670 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 -1 SER . 18670 1 2 0 VAL . 18670 1 3 1 ASP . 18670 1 4 2 SER . 18670 1 5 3 ALA . 18670 1 6 4 SER . 18670 1 7 5 LYS . 18670 1 8 6 GLU . 18670 1 9 7 GLU . 18670 1 10 8 ILE . 18670 1 11 9 ALA . 18670 1 12 10 ALA . 18670 1 13 11 LEU . 18670 1 14 12 ILE . 18670 1 15 13 VAL . 18670 1 16 14 ASN . 18670 1 17 15 TYR . 18670 1 18 16 PHE . 18670 1 19 17 SER . 18670 1 20 18 SER . 18670 1 21 19 ILE . 18670 1 22 20 VAL . 18670 1 23 21 GLU . 18670 1 24 22 LYS . 18670 1 25 23 LYS . 18670 1 26 24 GLU . 18670 1 27 25 ILE . 18670 1 28 26 SER . 18670 1 29 27 GLU . 18670 1 30 28 ASP . 18670 1 31 29 GLY . 18670 1 32 30 ALA . 18670 1 33 31 ASP . 18670 1 34 32 SER . 18670 1 35 33 LEU . 18670 1 36 34 ASN . 18670 1 37 35 VAL . 18670 1 38 36 ALA . 18670 1 39 37 MET . 18670 1 40 38 ASP . 18670 1 41 39 CYS . 18670 1 42 40 ILE . 18670 1 43 41 SER . 18670 1 44 42 GLU . 18670 1 45 43 ALA . 18670 1 46 44 PHE . 18670 1 47 45 GLY . 18670 1 48 46 PHE . 18670 1 49 47 GLU . 18670 1 50 48 ARG . 18670 1 51 49 GLU . 18670 1 52 50 ALA . 18670 1 53 51 VAL . 18670 1 54 52 SER . 18670 1 55 53 GLY . 18670 1 56 54 ILE . 18670 1 57 55 LEU . 18670 1 58 56 GLY . 18670 1 59 57 LYS . 18670 1 60 58 SER . 18670 1 61 59 GLU . 18670 1 62 60 PHE . 18670 1 63 61 LYS . 18670 1 64 62 GLY . 18670 1 65 63 GLN . 18670 1 66 64 HIS . 18670 1 67 65 LEU . 18670 1 68 66 ALA . 18670 1 69 67 ASP . 18670 1 70 68 ILE . 18670 1 71 69 LEU . 18670 1 72 70 ASN . 18670 1 73 71 SER . 18670 1 74 72 ALA . 18670 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 . SER 1 1 18670 1 . VAL 2 2 18670 1 . ASP 3 3 18670 1 . SER 4 4 18670 1 . ALA 5 5 18670 1 . SER 6 6 18670 1 . LYS 7 7 18670 1 . GLU 8 8 18670 1 . GLU 9 9 18670 1 . ILE 10 10 18670 1 . ALA 11 11 18670 1 . ALA 12 12 18670 1 . LEU 13 13 18670 1 . ILE 14 14 18670 1 . VAL 15 15 18670 1 . ASN 16 16 18670 1 . TYR 17 17 18670 1 . PHE 18 18 18670 1 . SER 19 19 18670 1 . SER 20 20 18670 1 . ILE 21 21 18670 1 . VAL 22 22 18670 1 . GLU 23 23 18670 1 . LYS 24 24 18670 1 . LYS 25 25 18670 1 . GLU 26 26 18670 1 . ILE 27 27 18670 1 . SER 28 28 18670 1 . GLU 29 29 18670 1 . ASP 30 30 18670 1 . GLY 31 31 18670 1 . ALA 32 32 18670 1 . ASP 33 33 18670 1 . SER 34 34 18670 1 . LEU 35 35 18670 1 . ASN 36 36 18670 1 . VAL 37 37 18670 1 . ALA 38 38 18670 1 . MET 39 39 18670 1 . ASP 40 40 18670 1 . CYS 41 41 18670 1 . ILE 42 42 18670 1 . SER 43 43 18670 1 . GLU 44 44 18670 1 . ALA 45 45 18670 1 . PHE 46 46 18670 1 . GLY 47 47 18670 1 . PHE 48 48 18670 1 . GLU 49 49 18670 1 . ARG 50 50 18670 1 . GLU 51 51 18670 1 . ALA 52 52 18670 1 . VAL 53 53 18670 1 . SER 54 54 18670 1 . GLY 55 55 18670 1 . ILE 56 56 18670 1 . LEU 57 57 18670 1 . GLY 58 58 18670 1 . LYS 59 59 18670 1 . SER 60 60 18670 1 . GLU 61 61 18670 1 . PHE 62 62 18670 1 . LYS 63 63 18670 1 . GLY 64 64 18670 1 . GLN 65 65 18670 1 . HIS 66 66 18670 1 . LEU 67 67 18670 1 . ALA 68 68 18670 1 . ASP 69 69 18670 1 . ILE 70 70 18670 1 . LEU 71 71 18670 1 . ASN 72 72 18670 1 . SER 73 73 18670 1 . ALA 74 74 18670 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 18670 _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 $Sgt2 . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . Sgt2 . . . . 18670 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 18670 _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 $Sgt2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli NiCo21(DE3) . . . . . . . . . . . . . . . pET33b . . . . . . 18670 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18670 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample is a symmetric homodimer. 2 mM monomer, or 1 mM dimer, were used.' _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 Sgt2 '[U-100% 13C; U-100% 15N]' . . 1 $Sgt2 . . 2 . . mM . . . . 18670 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18670 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18670 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18670 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18670 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18670 _Sample.ID 2 _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details 'Sample is a symmetric homodimer. 2 mM monomer, or 1 mM dimer, were used.' _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 Sgt2 '[U-100% 15N]' . . 1 $Sgt2 . . 2 . . mM . . . . 18670 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18670 2 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18670 2 4 Polyacrylamide 'natural abundance' . . . . . . 7 . . % . . . . 18670 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18670 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18670 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18670 _Sample.ID 3 _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details 'Sample is a symmetric homodimer. 2 mM monomer, or 1 mM dimer, were used.' _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 Sgt2 '[U-100% 15N]' . . 1 $Sgt2 . . 2 . . mM . . . . 18670 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18670 3 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18670 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18670 3 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18670 3 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 18670 _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' 0 . mM 18670 1 pH 6.1 . pH 18670 1 pressure 1 . atm 18670 1 temperature 297.5 . K 18670 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18670 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18670 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18670 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 18670 _Software.ID 2 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18670 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18670 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18670 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18670 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18670 3 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18670 _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' . . 18670 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18670 4 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18670 _Software.ID 5 _Software.Name ARIA _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18670 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18670 5 'structure solution' 18670 5 stop_ save_ save_PALES _Software.Sf_category software _Software.Sf_framecode PALES _Software.Entry_ID 18670 _Software.ID 6 _Software.Name PALES _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zweckstetter and Bax' . . 18670 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18670 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18670 _Software.ID 7 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18670 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18670 7 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 18670 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18670 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18670 _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 Varian INOVA . 600 . . . 18670 1 2 spectrometer_2 Bruker Avance . 800 . . . 18670 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 18670 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18670 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18670 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18670 1 4 '3D (H)CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18670 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18670 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18670 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18670 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18670 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18670 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18670 1 11 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18670 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18670 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18670 1 14 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18670 1 15 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18670 1 16 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18670 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 18670 _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 water protons . . . . ppm 4.778 internal indirect 0.251457 . . . . . . . . . 18670 1 H 1 water protons . . . . ppm 4.778 internal direct 1.0 . . . . . . . . . 18670 1 N 15 water protons . . . . ppm 4.778 internal indirect 0.1013401 . . . . . . . . . 18670 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 18670 _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 1 '2D 1H-15N HSQC' . . . 18670 1 2 '3D CBCA(CO)NH' . . . 18670 1 3 '3D HNCACB' . . . 18670 1 4 '3D (H)CCH-TOCSY' . . . 18670 1 5 '3D 1H-15N TOCSY' . . . 18670 1 6 '2D 1H-13C HSQC aliphatic' . . . 18670 1 7 '3D 1H-15N NOESY' . . . 18670 1 8 '3D HNCA' . . . 18670 1 9 '3D HNCO' . . . 18670 1 10 '3D C(CO)NH' . . . 18670 1 11 '2D 1H-13C HSQC aromatic' . . . 18670 1 12 '3D 1H-13C NOESY aromatic' . . . 18670 1 13 '3D HCCH-TOCSY' . . . 18670 1 14 '3D HCCH-COSY' . . . 18670 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 SER C C 13 171.429 0 . 1 . . . A -1 SER C . 18670 1 2 . 1 1 1 1 SER CA C 13 57.352 0.07 . 1 . . . A -1 SER CA . 18670 1 3 . 1 1 1 1 SER CB C 13 63.312 0 . 1 . . . A -1 SER CB . 18670 1 4 . 1 1 2 2 VAL H H 1 8.665 0.004 . 1 . . . A 0 VAL H . 18670 1 5 . 1 1 2 2 VAL HA H 1 4.136 0.003 . 1 . . . A 0 VAL HA . 18670 1 6 . 1 1 2 2 VAL HB H 1 2.101 0.002 . 1 . . . A 0 VAL HB . 18670 1 7 . 1 1 2 2 VAL HG21 H 1 0.902 0.005 . 1 . . . A 0 VAL HG21 . 18670 1 8 . 1 1 2 2 VAL HG22 H 1 0.902 0.005 . 1 . . . A 0 VAL HG22 . 18670 1 9 . 1 1 2 2 VAL HG23 H 1 0.902 0.005 . 1 . . . A 0 VAL HG23 . 18670 1 10 . 1 1 2 2 VAL C C 13 175.66 0 . 1 . . . A 0 VAL C . 18670 1 11 . 1 1 2 2 VAL CA C 13 62.898 0.039 . 1 . . . A 0 VAL CA . 18670 1 12 . 1 1 2 2 VAL CB C 13 32.565 0.026 . 1 . . . A 0 VAL CB . 18670 1 13 . 1 1 2 2 VAL CG2 C 13 20.566 0.224 . 1 . . . A 0 VAL CG2 . 18670 1 14 . 1 1 2 2 VAL N N 15 119.992 0.023 . 1 . . . A 0 VAL N . 18670 1 15 . 1 1 3 3 ASP H H 1 8.414 0.001 . 1 . . . A 1 ASP H . 18670 1 16 . 1 1 3 3 ASP HA H 1 4.646 0.002 . 1 . . . A 1 ASP HA . 18670 1 17 . 1 1 3 3 ASP HB2 H 1 2.703 0.003 . 2 . . . A 1 ASP HB2 . 18670 1 18 . 1 1 3 3 ASP HB3 H 1 2.608 0.003 . 2 . . . A 1 ASP HB3 . 18670 1 19 . 1 1 3 3 ASP C C 13 175.989 0 . 1 . . . A 1 ASP C . 18670 1 20 . 1 1 3 3 ASP CA C 13 54.562 0.096 . 1 . . . A 1 ASP CA . 18670 1 21 . 1 1 3 3 ASP CB C 13 41.35 0.046 . 1 . . . A 1 ASP CB . 18670 1 22 . 1 1 3 3 ASP N N 15 122.533 0.009 . 1 . . . A 1 ASP N . 18670 1 23 . 1 1 4 4 SER H H 1 8.072 0.001 . 1 . . . A 2 SER H . 18670 1 24 . 1 1 4 4 SER HA H 1 4.792 0 . 1 . . . A 2 SER HA . 18670 1 25 . 1 1 4 4 SER HB2 H 1 4.418 0 . 2 . . . A 2 SER HB2 . 18670 1 26 . 1 1 4 4 SER HB3 H 1 3.839 0 . 2 . . . A 2 SER HB3 . 18670 1 27 . 1 1 4 4 SER C C 13 173.897 0 . 1 . . . A 2 SER C . 18670 1 28 . 1 1 4 4 SER CA C 13 58.39 0.1 . 1 . . . A 2 SER CA . 18670 1 29 . 1 1 4 4 SER CB C 13 64.097 0.05 . 1 . . . A 2 SER CB . 18670 1 30 . 1 1 4 4 SER N N 15 115.401 0.035 . 1 . . . A 2 SER N . 18670 1 31 . 1 1 5 5 ALA H H 1 8.337 0.006 . 1 . . . A 3 ALA H . 18670 1 32 . 1 1 5 5 ALA HA H 1 4.477 0.007 . 1 . . . A 3 ALA HA . 18670 1 33 . 1 1 5 5 ALA HB1 H 1 1.28 0.003 . 1 . . . A 3 ALA HB1 . 18670 1 34 . 1 1 5 5 ALA HB2 H 1 1.28 0.003 . 1 . . . A 3 ALA HB2 . 18670 1 35 . 1 1 5 5 ALA HB3 H 1 1.28 0.003 . 1 . . . A 3 ALA HB3 . 18670 1 36 . 1 1 5 5 ALA C C 13 177.339 0 . 1 . . . A 3 ALA C . 18670 1 37 . 1 1 5 5 ALA CA C 13 52.163 0.067 . 1 . . . A 3 ALA CA . 18670 1 38 . 1 1 5 5 ALA CB C 13 20.099 0.03 . 1 . . . A 3 ALA CB . 18670 1 39 . 1 1 5 5 ALA N N 15 126.041 0.054 . 1 . . . A 3 ALA N . 18670 1 40 . 1 1 6 6 SER H H 1 8.883 0.003 . 1 . . . A 4 SER H . 18670 1 41 . 1 1 6 6 SER HA H 1 4.612 0.001 . 1 . . . A 4 SER HA . 18670 1 42 . 1 1 6 6 SER HB2 H 1 4.07 0.003 . 2 . . . A 4 SER HB2 . 18670 1 43 . 1 1 6 6 SER HB3 H 1 4.452 0.008 . 2 . . . A 4 SER HB3 . 18670 1 44 . 1 1 6 6 SER C C 13 175.422 0 . 1 . . . A 4 SER C . 18670 1 45 . 1 1 6 6 SER CA C 13 57.139 0.028 . 1 . . . A 4 SER CA . 18670 1 46 . 1 1 6 6 SER CB C 13 65.772 0.055 . 1 . . . A 4 SER CB . 18670 1 47 . 1 1 6 6 SER N N 15 118.462 0.017 . 1 . . . A 4 SER N . 18670 1 48 . 1 1 7 7 LYS H H 1 9.007 0.003 . 1 . . . A 5 LYS H . 18670 1 49 . 1 1 7 7 LYS HA H 1 4.144 0.004 . 1 . . . A 5 LYS HA . 18670 1 50 . 1 1 7 7 LYS HB2 H 1 1.934 0 . 2 . . . A 5 LYS HB2 . 18670 1 51 . 1 1 7 7 LYS HB3 H 1 2.107 0 . 2 . . . A 5 LYS HB3 . 18670 1 52 . 1 1 7 7 LYS HG2 H 1 1.705 0 . 2 . . . A 5 LYS HG2 . 18670 1 53 . 1 1 7 7 LYS HG3 H 1 1.828 0.001 . 2 . . . A 5 LYS HG3 . 18670 1 54 . 1 1 7 7 LYS HD2 H 1 1.831 0.002 . 2 . . . A 5 LYS HD2 . 18670 1 55 . 1 1 7 7 LYS HD3 H 1 1.987 0.002 . 2 . . . A 5 LYS HD3 . 18670 1 56 . 1 1 7 7 LYS HE2 H 1 3.195 0.002 . 2 . . . A 5 LYS HE2 . 18670 1 57 . 1 1 7 7 LYS HE3 H 1 3.268 0.003 . 2 . . . A 5 LYS HE3 . 18670 1 58 . 1 1 7 7 LYS C C 13 178.531 0 . 1 . . . A 5 LYS C . 18670 1 59 . 1 1 7 7 LYS CA C 13 59.646 0.052 . 1 . . . A 5 LYS CA . 18670 1 60 . 1 1 7 7 LYS CB C 13 32.195 0.033 . 1 . . . A 5 LYS CB . 18670 1 61 . 1 1 7 7 LYS CG C 13 25.471 0.149 . 1 . . . A 5 LYS CG . 18670 1 62 . 1 1 7 7 LYS CD C 13 29.753 0.091 . 1 . . . A 5 LYS CD . 18670 1 63 . 1 1 7 7 LYS CE C 13 42.305 0.088 . 1 . . . A 5 LYS CE . 18670 1 64 . 1 1 7 7 LYS N N 15 120.133 0.02 . 1 . . . A 5 LYS N . 18670 1 65 . 1 1 8 8 GLU H H 1 8.941 0.002 . 1 . . . A 6 GLU H . 18670 1 66 . 1 1 8 8 GLU HA H 1 3.854 0.005 . 1 . . . A 6 GLU HA . 18670 1 67 . 1 1 8 8 GLU HB2 H 1 2.309 0.002 . 2 . . . A 6 GLU HB2 . 18670 1 68 . 1 1 8 8 GLU HB3 H 1 2.025 0.002 . 2 . . . A 6 GLU HB3 . 18670 1 69 . 1 1 8 8 GLU HG2 H 1 2.684 0.002 . 2 . . . A 6 GLU HG2 . 18670 1 70 . 1 1 8 8 GLU HG3 H 1 2.487 0.002 . 2 . . . A 6 GLU HG3 . 18670 1 71 . 1 1 8 8 GLU C C 13 177.706 0 . 1 . . . A 6 GLU C . 18670 1 72 . 1 1 8 8 GLU CA C 13 61.475 0.092 . 1 . . . A 6 GLU CA . 18670 1 73 . 1 1 8 8 GLU CB C 13 28.813 0.068 . 1 . . . A 6 GLU CB . 18670 1 74 . 1 1 8 8 GLU CG C 13 37.793 0.039 . 1 . . . A 6 GLU CG . 18670 1 75 . 1 1 8 8 GLU N N 15 119.911 0.036 . 1 . . . A 6 GLU N . 18670 1 76 . 1 1 9 9 GLU H H 1 7.715 0.001 . 1 . . . A 7 GLU H . 18670 1 77 . 1 1 9 9 GLU HA H 1 3.667 0.005 . 1 . . . A 7 GLU HA . 18670 1 78 . 1 1 9 9 GLU HB2 H 1 2.474 0.002 . 2 . . . A 7 GLU HB2 . 18670 1 79 . 1 1 9 9 GLU HB3 H 1 1.861 0.004 . 2 . . . A 7 GLU HB3 . 18670 1 80 . 1 1 9 9 GLU HG2 H 1 2.347 0.002 . 2 . . . A 7 GLU HG2 . 18670 1 81 . 1 1 9 9 GLU HG3 H 1 2.095 0.003 . 2 . . . A 7 GLU HG3 . 18670 1 82 . 1 1 9 9 GLU C C 13 178.402 0 . 1 . . . A 7 GLU C . 18670 1 83 . 1 1 9 9 GLU CA C 13 59.608 0.069 . 1 . . . A 7 GLU CA . 18670 1 84 . 1 1 9 9 GLU CB C 13 29.488 0.013 . 1 . . . A 7 GLU CB . 18670 1 85 . 1 1 9 9 GLU CG C 13 37.852 0.039 . 1 . . . A 7 GLU CG . 18670 1 86 . 1 1 9 9 GLU N N 15 119.206 0.029 . 1 . . . A 7 GLU N . 18670 1 87 . 1 1 10 10 ILE H H 1 8.16 0.002 . 1 . . . A 8 ILE H . 18670 1 88 . 1 1 10 10 ILE HA H 1 3.266 0.004 . 1 . . . A 8 ILE HA . 18670 1 89 . 1 1 10 10 ILE HB H 1 1.749 0.008 . 1 . . . A 8 ILE HB . 18670 1 90 . 1 1 10 10 ILE HG12 H 1 1.805 0.004 . 2 . . . A 8 ILE HG12 . 18670 1 91 . 1 1 10 10 ILE HG13 H 1 0.631 0.015 . 2 . . . A 8 ILE HG13 . 18670 1 92 . 1 1 10 10 ILE HG21 H 1 0.219 0.006 . 1 . . . A 8 ILE HG21 . 18670 1 93 . 1 1 10 10 ILE HG22 H 1 0.219 0.006 . 1 . . . A 8 ILE HG22 . 18670 1 94 . 1 1 10 10 ILE HG23 H 1 0.219 0.006 . 1 . . . A 8 ILE HG23 . 18670 1 95 . 1 1 10 10 ILE HD11 H 1 0.651 0.004 . 1 . . . A 8 ILE HD11 . 18670 1 96 . 1 1 10 10 ILE HD12 H 1 0.651 0.004 . 1 . . . A 8 ILE HD12 . 18670 1 97 . 1 1 10 10 ILE HD13 H 1 0.651 0.004 . 1 . . . A 8 ILE HD13 . 18670 1 98 . 1 1 10 10 ILE C C 13 177.625 0 . 1 . . . A 8 ILE C . 18670 1 99 . 1 1 10 10 ILE CA C 13 65.882 0.113 . 1 . . . A 8 ILE CA . 18670 1 100 . 1 1 10 10 ILE CB C 13 37.607 0.076 . 1 . . . A 8 ILE CB . 18670 1 101 . 1 1 10 10 ILE CG1 C 13 29.636 0.061 . 1 . . . A 8 ILE CG1 . 18670 1 102 . 1 1 10 10 ILE CG2 C 13 17.623 0.066 . 1 . . . A 8 ILE CG2 . 18670 1 103 . 1 1 10 10 ILE CD1 C 13 12.737 0.023 . 1 . . . A 8 ILE CD1 . 18670 1 104 . 1 1 10 10 ILE N N 15 119.005 0.031 . 1 . . . A 8 ILE N . 18670 1 105 . 1 1 11 11 ALA H H 1 8.246 0.002 . 1 . . . A 9 ALA H . 18670 1 106 . 1 1 11 11 ALA HA H 1 3.878 0 . 1 . . . A 9 ALA HA . 18670 1 107 . 1 1 11 11 ALA HB1 H 1 1.054 0.001 . 1 . . . A 9 ALA HB1 . 18670 1 108 . 1 1 11 11 ALA HB2 H 1 1.054 0.001 . 1 . . . A 9 ALA HB2 . 18670 1 109 . 1 1 11 11 ALA HB3 H 1 1.054 0.001 . 1 . . . A 9 ALA HB3 . 18670 1 110 . 1 1 11 11 ALA CA C 13 55.885 0.024 . 1 . . . A 9 ALA CA . 18670 1 111 . 1 1 11 11 ALA CB C 13 18.197 0.011 . 1 . . . A 9 ALA CB . 18670 1 112 . 1 1 11 11 ALA N N 15 120.986 0.032 . 1 . . . A 9 ALA N . 18670 1 113 . 1 1 12 12 ALA H H 1 8.31 0 . 1 . . . A 10 ALA H . 18670 1 114 . 1 1 12 12 ALA HB1 H 1 1.157 0.003 . 1 . . . A 10 ALA HB1 . 18670 1 115 . 1 1 12 12 ALA HB2 H 1 1.157 0.003 . 1 . . . A 10 ALA HB2 . 18670 1 116 . 1 1 12 12 ALA HB3 H 1 1.157 0.003 . 1 . . . A 10 ALA HB3 . 18670 1 117 . 1 1 12 12 ALA C C 13 178.702 0 . 1 . . . A 10 ALA C . 18670 1 118 . 1 1 12 12 ALA CA C 13 55.478 0.079 . 1 . . . A 10 ALA CA . 18670 1 119 . 1 1 12 12 ALA CB C 13 17.494 0.03 . 1 . . . A 10 ALA CB . 18670 1 120 . 1 1 12 12 ALA N N 15 120.565 0 . 1 . . . A 10 ALA N . 18670 1 121 . 1 1 13 13 LEU H H 1 8.174 0.003 . 1 . . . A 11 LEU H . 18670 1 122 . 1 1 13 13 LEU HA H 1 3.853 0.004 . 1 . . . A 11 LEU HA . 18670 1 123 . 1 1 13 13 LEU HB3 H 1 1.625 0 . 1 . . . A 11 LEU HB3 . 18670 1 124 . 1 1 13 13 LEU HD21 H 1 0.481 0.004 . 1 . . . A 11 LEU HD21 . 18670 1 125 . 1 1 13 13 LEU HD22 H 1 0.481 0.004 . 1 . . . A 11 LEU HD22 . 18670 1 126 . 1 1 13 13 LEU HD23 H 1 0.481 0.004 . 1 . . . A 11 LEU HD23 . 18670 1 127 . 1 1 13 13 LEU C C 13 179.962 0 . 1 . . . A 11 LEU C . 18670 1 128 . 1 1 13 13 LEU CA C 13 58.064 0.11 . 1 . . . A 11 LEU CA . 18670 1 129 . 1 1 13 13 LEU CB C 13 41.92 0.058 . 1 . . . A 11 LEU CB . 18670 1 130 . 1 1 13 13 LEU CD2 C 13 24.187 0.103 . 1 . . . A 11 LEU CD2 . 18670 1 131 . 1 1 13 13 LEU N N 15 121.426 0.041 . 1 . . . A 11 LEU N . 18670 1 132 . 1 1 14 14 ILE H H 1 8.212 0.004 . 1 . . . A 12 ILE H . 18670 1 133 . 1 1 14 14 ILE HA H 1 3.265 0.003 . 1 . . . A 12 ILE HA . 18670 1 134 . 1 1 14 14 ILE HB H 1 2.189 0.002 . 1 . . . A 12 ILE HB . 18670 1 135 . 1 1 14 14 ILE HG12 H 1 1.621 0 . 2 . . . A 12 ILE HG12 . 18670 1 136 . 1 1 14 14 ILE HG13 H 1 0.341 0.001 . 2 . . . A 12 ILE HG13 . 18670 1 137 . 1 1 14 14 ILE HG21 H 1 0.779 0.003 . 1 . . . A 12 ILE HG21 . 18670 1 138 . 1 1 14 14 ILE HG22 H 1 0.779 0.003 . 1 . . . A 12 ILE HG22 . 18670 1 139 . 1 1 14 14 ILE HG23 H 1 0.779 0.003 . 1 . . . A 12 ILE HG23 . 18670 1 140 . 1 1 14 14 ILE HD11 H 1 0.486 0.006 . 1 . . . A 12 ILE HD11 . 18670 1 141 . 1 1 14 14 ILE HD12 H 1 0.486 0.006 . 1 . . . A 12 ILE HD12 . 18670 1 142 . 1 1 14 14 ILE HD13 H 1 0.486 0.006 . 1 . . . A 12 ILE HD13 . 18670 1 143 . 1 1 14 14 ILE C C 13 177.056 0 . 1 . . . A 12 ILE C . 18670 1 144 . 1 1 14 14 ILE CA C 13 65.976 0.116 . 1 . . . A 12 ILE CA . 18670 1 145 . 1 1 14 14 ILE CB C 13 38.185 0.082 . 1 . . . A 12 ILE CB . 18670 1 146 . 1 1 14 14 ILE CG1 C 13 29.49 0.053 . 1 . . . A 12 ILE CG1 . 18670 1 147 . 1 1 14 14 ILE CG2 C 13 18.985 0.057 . 1 . . . A 12 ILE CG2 . 18670 1 148 . 1 1 14 14 ILE CD1 C 13 15.707 0.026 . 1 . . . A 12 ILE CD1 . 18670 1 149 . 1 1 14 14 ILE N N 15 121.679 0.024 . 1 . . . A 12 ILE N . 18670 1 150 . 1 1 15 15 VAL H H 1 8.764 0.012 . 1 . . . A 13 VAL H . 18670 1 151 . 1 1 15 15 VAL HA H 1 3.649 0 . 1 . . . A 13 VAL HA . 18670 1 152 . 1 1 15 15 VAL HB H 1 2.461 0.007 . 1 . . . A 13 VAL HB . 18670 1 153 . 1 1 15 15 VAL HG11 H 1 1.395 0.006 . 2 . . . A 13 VAL HG11 . 18670 1 154 . 1 1 15 15 VAL HG12 H 1 1.395 0.006 . 2 . . . A 13 VAL HG12 . 18670 1 155 . 1 1 15 15 VAL HG13 H 1 1.395 0.006 . 2 . . . A 13 VAL HG13 . 18670 1 156 . 1 1 15 15 VAL HG21 H 1 1.192 0.004 . 2 . . . A 13 VAL HG21 . 18670 1 157 . 1 1 15 15 VAL HG22 H 1 1.192 0.004 . 2 . . . A 13 VAL HG22 . 18670 1 158 . 1 1 15 15 VAL HG23 H 1 1.192 0.004 . 2 . . . A 13 VAL HG23 . 18670 1 159 . 1 1 15 15 VAL C C 13 177.946 0 . 1 . . . A 13 VAL C . 18670 1 160 . 1 1 15 15 VAL CA C 13 68.673 0.096 . 1 . . . A 13 VAL CA . 18670 1 161 . 1 1 15 15 VAL CB C 13 31.412 0.05 . 1 . . . A 13 VAL CB . 18670 1 162 . 1 1 15 15 VAL CG1 C 13 24.58 0.11 . 2 . . . A 13 VAL CG1 . 18670 1 163 . 1 1 15 15 VAL CG2 C 13 22.612 0.05 . 2 . . . A 13 VAL CG2 . 18670 1 164 . 1 1 15 15 VAL N N 15 120.985 0.041 . 1 . . . A 13 VAL N . 18670 1 165 . 1 1 16 16 ASN H H 1 8.8 0.002 . 1 . . . A 14 ASN H . 18670 1 166 . 1 1 16 16 ASN HA H 1 4.509 0 . 1 . . . A 14 ASN HA . 18670 1 167 . 1 1 16 16 ASN HB3 H 1 2.793 0 . 1 . . . A 14 ASN HB3 . 18670 1 168 . 1 1 16 16 ASN HD21 H 1 7.095 0 . 1 . . . A 14 ASN HD21 . 18670 1 169 . 1 1 16 16 ASN HD22 H 1 7.805 0 . 1 . . . A 14 ASN HD22 . 18670 1 170 . 1 1 16 16 ASN C C 13 177.02 0 . 1 . . . A 14 ASN C . 18670 1 171 . 1 1 16 16 ASN CA C 13 57.018 0.04 . 1 . . . A 14 ASN CA . 18670 1 172 . 1 1 16 16 ASN CB C 13 39.922 0.026 . 1 . . . A 14 ASN CB . 18670 1 173 . 1 1 16 16 ASN N N 15 119.346 0.021 . 1 . . . A 14 ASN N . 18670 1 174 . 1 1 16 16 ASN ND2 N 15 113.649 0 . 1 . . . A 14 ASN ND2 . 18670 1 175 . 1 1 17 17 TYR H H 1 8.118 0.005 . 1 . . . A 15 TYR H . 18670 1 176 . 1 1 17 17 TYR HA H 1 4.319 0.003 . 1 . . . A 15 TYR HA . 18670 1 177 . 1 1 17 17 TYR HB2 H 1 3.006 0.002 . 2 . . . A 15 TYR HB2 . 18670 1 178 . 1 1 17 17 TYR HB3 H 1 3.12 0.005 . 2 . . . A 15 TYR HB3 . 18670 1 179 . 1 1 17 17 TYR HD1 H 1 6.687 0.004 . 3 . . . A 15 TYR HD1 . 18670 1 180 . 1 1 17 17 TYR HD2 H 1 6.687 0.004 . 3 . . . A 15 TYR HD2 . 18670 1 181 . 1 1 17 17 TYR HE1 H 1 6.611 0.001 . 3 . . . A 15 TYR HE1 . 18670 1 182 . 1 1 17 17 TYR HE2 H 1 6.611 0.001 . 3 . . . A 15 TYR HE2 . 18670 1 183 . 1 1 17 17 TYR C C 13 178.453 0 . 1 . . . A 15 TYR C . 18670 1 184 . 1 1 17 17 TYR CA C 13 61.182 0.032 . 1 . . . A 15 TYR CA . 18670 1 185 . 1 1 17 17 TYR CB C 13 38.146 0.034 . 1 . . . A 15 TYR CB . 18670 1 186 . 1 1 17 17 TYR CD1 C 13 133.046 0.044 . 3 . . . A 15 TYR CD1 . 18670 1 187 . 1 1 17 17 TYR CD2 C 13 133.046 0.044 . 3 . . . A 15 TYR CD2 . 18670 1 188 . 1 1 17 17 TYR CE1 C 13 117.667 0.036 . 3 . . . A 15 TYR CE1 . 18670 1 189 . 1 1 17 17 TYR CE2 C 13 117.667 0.036 . 3 . . . A 15 TYR CE2 . 18670 1 190 . 1 1 17 17 TYR N N 15 122.026 0.025 . 1 . . . A 15 TYR N . 18670 1 191 . 1 1 18 18 PHE H H 1 8.454 0.004 . 1 . . . A 16 PHE H . 18670 1 192 . 1 1 18 18 PHE HA H 1 4.479 0.004 . 1 . . . A 16 PHE HA . 18670 1 193 . 1 1 18 18 PHE HB2 H 1 3.207 0.004 . 2 . . . A 16 PHE HB2 . 18670 1 194 . 1 1 18 18 PHE HB3 H 1 3.588 0.002 . 2 . . . A 16 PHE HB3 . 18670 1 195 . 1 1 18 18 PHE HD1 H 1 7.204 0.001 . 3 . . . A 16 PHE HD1 . 18670 1 196 . 1 1 18 18 PHE HD2 H 1 7.204 0.001 . 3 . . . A 16 PHE HD2 . 18670 1 197 . 1 1 18 18 PHE HE1 H 1 7.332 0.003 . 3 . . . A 16 PHE HE1 . 18670 1 198 . 1 1 18 18 PHE HE2 H 1 7.332 0.003 . 3 . . . A 16 PHE HE2 . 18670 1 199 . 1 1 18 18 PHE HZ H 1 7.226 0.004 . 1 . . . A 16 PHE HZ . 18670 1 200 . 1 1 18 18 PHE C C 13 177.702 0 . 1 . . . A 16 PHE C . 18670 1 201 . 1 1 18 18 PHE CA C 13 58.283 0.054 . 1 . . . A 16 PHE CA . 18670 1 202 . 1 1 18 18 PHE CB C 13 37.486 0.064 . 1 . . . A 16 PHE CB . 18670 1 203 . 1 1 18 18 PHE CD1 C 13 130.694 0.015 . 3 . . . A 16 PHE CD1 . 18670 1 204 . 1 1 18 18 PHE CD2 C 13 130.694 0.015 . 3 . . . A 16 PHE CD2 . 18670 1 205 . 1 1 18 18 PHE CE1 C 13 130.646 0.058 . 3 . . . A 16 PHE CE1 . 18670 1 206 . 1 1 18 18 PHE CE2 C 13 130.646 0.058 . 3 . . . A 16 PHE CE2 . 18670 1 207 . 1 1 18 18 PHE CZ C 13 129.648 0.068 . 1 . . . A 16 PHE CZ . 18670 1 208 . 1 1 18 18 PHE N N 15 119.052 0.014 . 1 . . . A 16 PHE N . 18670 1 209 . 1 1 19 19 SER H H 1 9.123 0.002 . 1 . . . A 17 SER H . 18670 1 210 . 1 1 19 19 SER HA H 1 4.037 0.003 . 1 . . . A 17 SER HA . 18670 1 211 . 1 1 19 19 SER HB2 H 1 4.083 0 . 2 . . . A 17 SER HB2 . 18670 1 212 . 1 1 19 19 SER HB3 H 1 4.197 0 . 2 . . . A 17 SER HB3 . 18670 1 213 . 1 1 19 19 SER C C 13 176.662 0 . 1 . . . A 17 SER C . 18670 1 214 . 1 1 19 19 SER CA C 13 62.62 0.061 . 1 . . . A 17 SER CA . 18670 1 215 . 1 1 19 19 SER CB C 13 62.824 0.011 . 1 . . . A 17 SER CB . 18670 1 216 . 1 1 19 19 SER N N 15 116.752 0.026 . 1 . . . A 17 SER N . 18670 1 217 . 1 1 20 20 SER H H 1 7.927 0.001 . 1 . . . A 18 SER H . 18670 1 218 . 1 1 20 20 SER HA H 1 4.305 0.002 . 1 . . . A 18 SER HA . 18670 1 219 . 1 1 20 20 SER HB2 H 1 4.008 0.002 . 2 . . . A 18 SER HB2 . 18670 1 220 . 1 1 20 20 SER HB3 H 1 4.071 0 . 2 . . . A 18 SER HB3 . 18670 1 221 . 1 1 20 20 SER C C 13 175.47 0 . 1 . . . A 18 SER C . 18670 1 222 . 1 1 20 20 SER CA C 13 61.801 0.131 . 1 . . . A 18 SER CA . 18670 1 223 . 1 1 20 20 SER CB C 13 63.037 0.05 . 1 . . . A 18 SER CB . 18670 1 224 . 1 1 20 20 SER N N 15 117.961 0.033 . 1 . . . A 18 SER N . 18670 1 225 . 1 1 21 21 ILE H H 1 7.29 0.003 . 1 . . . A 19 ILE H . 18670 1 226 . 1 1 21 21 ILE HA H 1 3.767 0.001 . 1 . . . A 19 ILE HA . 18670 1 227 . 1 1 21 21 ILE HB H 1 2.088 0.003 . 1 . . . A 19 ILE HB . 18670 1 228 . 1 1 21 21 ILE HG12 H 1 1.399 0.001 . 2 . . . A 19 ILE HG12 . 18670 1 229 . 1 1 21 21 ILE HG13 H 1 1.155 0.002 . 2 . . . A 19 ILE HG13 . 18670 1 230 . 1 1 21 21 ILE HG21 H 1 0.755 0.005 . 1 . . . A 19 ILE HG21 . 18670 1 231 . 1 1 21 21 ILE HG22 H 1 0.755 0.005 . 1 . . . A 19 ILE HG22 . 18670 1 232 . 1 1 21 21 ILE HG23 H 1 0.755 0.005 . 1 . . . A 19 ILE HG23 . 18670 1 233 . 1 1 21 21 ILE HD11 H 1 0.763 0.006 . 1 . . . A 19 ILE HD11 . 18670 1 234 . 1 1 21 21 ILE HD12 H 1 0.763 0.006 . 1 . . . A 19 ILE HD12 . 18670 1 235 . 1 1 21 21 ILE HD13 H 1 0.763 0.006 . 1 . . . A 19 ILE HD13 . 18670 1 236 . 1 1 21 21 ILE C C 13 178.051 0 . 1 . . . A 19 ILE C . 18670 1 237 . 1 1 21 21 ILE CA C 13 64.305 0.047 . 1 . . . A 19 ILE CA . 18670 1 238 . 1 1 21 21 ILE CB C 13 37.538 0.067 . 1 . . . A 19 ILE CB . 18670 1 239 . 1 1 21 21 ILE CG1 C 13 28.33 0 . 1 . . . A 19 ILE CG1 . 18670 1 240 . 1 1 21 21 ILE CG2 C 13 17.64 0.093 . 1 . . . A 19 ILE CG2 . 18670 1 241 . 1 1 21 21 ILE CD1 C 13 12.502 0.062 . 1 . . . A 19 ILE CD1 . 18670 1 242 . 1 1 21 21 ILE N N 15 122.288 0.036 . 1 . . . A 19 ILE N . 18670 1 243 . 1 1 22 22 VAL H H 1 7.734 0.002 . 1 . . . A 20 VAL H . 18670 1 244 . 1 1 22 22 VAL HA H 1 3.575 0.002 . 1 . . . A 20 VAL HA . 18670 1 245 . 1 1 22 22 VAL HB H 1 2.221 0.003 . 1 . . . A 20 VAL HB . 18670 1 246 . 1 1 22 22 VAL HG11 H 1 1.007 0.004 . 2 . . . A 20 VAL HG11 . 18670 1 247 . 1 1 22 22 VAL HG12 H 1 1.007 0.004 . 2 . . . A 20 VAL HG12 . 18670 1 248 . 1 1 22 22 VAL HG13 H 1 1.007 0.004 . 2 . . . A 20 VAL HG13 . 18670 1 249 . 1 1 22 22 VAL HG21 H 1 0.991 0.004 . 2 . . . A 20 VAL HG21 . 18670 1 250 . 1 1 22 22 VAL HG22 H 1 0.991 0.004 . 2 . . . A 20 VAL HG22 . 18670 1 251 . 1 1 22 22 VAL HG23 H 1 0.991 0.004 . 2 . . . A 20 VAL HG23 . 18670 1 252 . 1 1 22 22 VAL C C 13 180.259 0 . 1 . . . A 20 VAL C . 18670 1 253 . 1 1 22 22 VAL CA C 13 66.961 0.132 . 1 . . . A 20 VAL CA . 18670 1 254 . 1 1 22 22 VAL CB C 13 31.959 0.061 . 1 . . . A 20 VAL CB . 18670 1 255 . 1 1 22 22 VAL CG1 C 13 23.363 0.1 . 2 . . . A 20 VAL CG1 . 18670 1 256 . 1 1 22 22 VAL CG2 C 13 21.605 0.002 . 2 . . . A 20 VAL CG2 . 18670 1 257 . 1 1 22 22 VAL N N 15 118.399 0.035 . 1 . . . A 20 VAL N . 18670 1 258 . 1 1 23 23 GLU H H 1 8.749 0.002 . 1 . . . A 21 GLU H . 18670 1 259 . 1 1 23 23 GLU HA H 1 4.024 0.003 . 1 . . . A 21 GLU HA . 18670 1 260 . 1 1 23 23 GLU HB2 H 1 2.112 0.002 . 2 . . . A 21 GLU HB2 . 18670 1 261 . 1 1 23 23 GLU HB3 H 1 2.188 0.001 . 2 . . . A 21 GLU HB3 . 18670 1 262 . 1 1 23 23 GLU HG2 H 1 2.292 0 . 2 . . . A 21 GLU HG2 . 18670 1 263 . 1 1 23 23 GLU HG3 H 1 2.382 0 . 2 . . . A 21 GLU HG3 . 18670 1 264 . 1 1 23 23 GLU C C 13 178.597 0 . 1 . . . A 21 GLU C . 18670 1 265 . 1 1 23 23 GLU CA C 13 59.519 0.034 . 1 . . . A 21 GLU CA . 18670 1 266 . 1 1 23 23 GLU CB C 13 29.763 0.083 . 1 . . . A 21 GLU CB . 18670 1 267 . 1 1 23 23 GLU CG C 13 36.22 0.021 . 1 . . . A 21 GLU CG . 18670 1 268 . 1 1 23 23 GLU N N 15 122.433 0.02 . 1 . . . A 21 GLU N . 18670 1 269 . 1 1 24 24 LYS H H 1 7.883 0.001 . 1 . . . A 22 LYS H . 18670 1 270 . 1 1 24 24 LYS HA H 1 4.195 0.003 . 1 . . . A 22 LYS HA . 18670 1 271 . 1 1 24 24 LYS HB2 H 1 2.057 0.004 . 2 . . . A 22 LYS HB2 . 18670 1 272 . 1 1 24 24 LYS HB3 H 1 1.769 0.005 . 2 . . . A 22 LYS HB3 . 18670 1 273 . 1 1 24 24 LYS HG2 H 1 1.455 0.004 . 2 . . . A 22 LYS HG2 . 18670 1 274 . 1 1 24 24 LYS HG3 H 1 1.702 0 . 2 . . . A 22 LYS HG3 . 18670 1 275 . 1 1 24 24 LYS HD2 H 1 1.653 0 . 2 . . . A 22 LYS HD2 . 18670 1 276 . 1 1 24 24 LYS HD3 H 1 1.613 0.006 . 2 . . . A 22 LYS HD3 . 18670 1 277 . 1 1 24 24 LYS HE3 H 1 2.929 0.003 . 1 . . . A 22 LYS HE3 . 18670 1 278 . 1 1 24 24 LYS C C 13 175.357 0 . 1 . . . A 22 LYS C . 18670 1 279 . 1 1 24 24 LYS CA C 13 56.781 0.084 . 1 . . . A 22 LYS CA . 18670 1 280 . 1 1 24 24 LYS CB C 13 32.638 0.041 . 1 . . . A 22 LYS CB . 18670 1 281 . 1 1 24 24 LYS CG C 13 25.987 0.097 . 1 . . . A 22 LYS CG . 18670 1 282 . 1 1 24 24 LYS CD C 13 29.148 0.088 . 1 . . . A 22 LYS CD . 18670 1 283 . 1 1 24 24 LYS CE C 13 42.092 0.01 . 1 . . . A 22 LYS CE . 18670 1 284 . 1 1 24 24 LYS N N 15 115.6 0.021 . 1 . . . A 22 LYS N . 18670 1 285 . 1 1 25 25 LYS H H 1 7.956 0.001 . 1 . . . A 23 LYS H . 18670 1 286 . 1 1 25 25 LYS HA H 1 3.973 0.006 . 1 . . . A 23 LYS HA . 18670 1 287 . 1 1 25 25 LYS HB2 H 1 2.016 0 . 2 . . . A 23 LYS HB2 . 18670 1 288 . 1 1 25 25 LYS HB3 H 1 2.094 0.007 . 2 . . . A 23 LYS HB3 . 18670 1 289 . 1 1 25 25 LYS HG3 H 1 1.425 0.003 . 1 . . . A 23 LYS HG3 . 18670 1 290 . 1 1 25 25 LYS HD3 H 1 1.745 0 . 1 . . . A 23 LYS HD3 . 18670 1 291 . 1 1 25 25 LYS HE3 H 1 3.063 0.002 . 1 . . . A 23 LYS HE3 . 18670 1 292 . 1 1 25 25 LYS C C 13 176.641 0 . 1 . . . A 23 LYS C . 18670 1 293 . 1 1 25 25 LYS CA C 13 57.412 0.039 . 1 . . . A 23 LYS CA . 18670 1 294 . 1 1 25 25 LYS CB C 13 28.699 0.075 . 1 . . . A 23 LYS CB . 18670 1 295 . 1 1 25 25 LYS CG C 13 24.875 0.055 . 1 . . . A 23 LYS CG . 18670 1 296 . 1 1 25 25 LYS CD C 13 29.129 0.098 . 1 . . . A 23 LYS CD . 18670 1 297 . 1 1 25 25 LYS CE C 13 42.446 0.008 . 1 . . . A 23 LYS CE . 18670 1 298 . 1 1 25 25 LYS N N 15 115.617 0.031 . 1 . . . A 23 LYS N . 18670 1 299 . 1 1 26 26 GLU H H 1 8.144 0.002 . 1 . . . A 24 GLU H . 18670 1 300 . 1 1 26 26 GLU HA H 1 4.331 0.002 . 1 . . . A 24 GLU HA . 18670 1 301 . 1 1 26 26 GLU HB2 H 1 1.88 0.001 . 2 . . . A 24 GLU HB2 . 18670 1 302 . 1 1 26 26 GLU HB3 H 1 2.277 0.007 . 2 . . . A 24 GLU HB3 . 18670 1 303 . 1 1 26 26 GLU HG3 H 1 2.228 0 . 1 . . . A 24 GLU HG3 . 18670 1 304 . 1 1 26 26 GLU C C 13 174.629 0 . 1 . . . A 24 GLU C . 18670 1 305 . 1 1 26 26 GLU CA C 13 56.488 0.066 . 1 . . . A 24 GLU CA . 18670 1 306 . 1 1 26 26 GLU CB C 13 30.092 0.026 . 1 . . . A 24 GLU CB . 18670 1 307 . 1 1 26 26 GLU CG C 13 37.304 0.011 . 1 . . . A 24 GLU CG . 18670 1 308 . 1 1 26 26 GLU N N 15 117.412 0.02 . 1 . . . A 24 GLU N . 18670 1 309 . 1 1 27 27 ILE H H 1 7.301 0.001 . 1 . . . A 25 ILE H . 18670 1 310 . 1 1 27 27 ILE HA H 1 4.468 0.003 . 1 . . . A 25 ILE HA . 18670 1 311 . 1 1 27 27 ILE HB H 1 1.579 0.009 . 1 . . . A 25 ILE HB . 18670 1 312 . 1 1 27 27 ILE HG12 H 1 1.484 0.009 . 2 . . . A 25 ILE HG12 . 18670 1 313 . 1 1 27 27 ILE HG13 H 1 1.03 0.006 . 2 . . . A 25 ILE HG13 . 18670 1 314 . 1 1 27 27 ILE HG21 H 1 0.598 0.004 . 1 . . . A 25 ILE HG21 . 18670 1 315 . 1 1 27 27 ILE HG22 H 1 0.598 0.004 . 1 . . . A 25 ILE HG22 . 18670 1 316 . 1 1 27 27 ILE HG23 H 1 0.598 0.004 . 1 . . . A 25 ILE HG23 . 18670 1 317 . 1 1 27 27 ILE HD11 H 1 0.232 0.002 . 1 . . . A 25 ILE HD11 . 18670 1 318 . 1 1 27 27 ILE HD12 H 1 0.232 0.002 . 1 . . . A 25 ILE HD12 . 18670 1 319 . 1 1 27 27 ILE HD13 H 1 0.232 0.002 . 1 . . . A 25 ILE HD13 . 18670 1 320 . 1 1 27 27 ILE C C 13 173.321 0 . 1 . . . A 25 ILE C . 18670 1 321 . 1 1 27 27 ILE CA C 13 58.876 0.07 . 1 . . . A 25 ILE CA . 18670 1 322 . 1 1 27 27 ILE CB C 13 41.503 0.033 . 1 . . . A 25 ILE CB . 18670 1 323 . 1 1 27 27 ILE CG1 C 13 27.296 0.089 . 1 . . . A 25 ILE CG1 . 18670 1 324 . 1 1 27 27 ILE CG2 C 13 15.882 0.052 . 1 . . . A 25 ILE CG2 . 18670 1 325 . 1 1 27 27 ILE CD1 C 13 14.299 0.026 . 1 . . . A 25 ILE CD1 . 18670 1 326 . 1 1 27 27 ILE N N 15 114.876 0.018 . 1 . . . A 25 ILE N . 18670 1 327 . 1 1 28 28 SER H H 1 8.108 0.003 . 1 . . . A 26 SER H . 18670 1 328 . 1 1 28 28 SER HA H 1 4.333 0.004 . 1 . . . A 26 SER HA . 18670 1 329 . 1 1 28 28 SER HB2 H 1 4.321 0 . 2 . . . A 26 SER HB2 . 18670 1 330 . 1 1 28 28 SER HB3 H 1 4.068 0.002 . 2 . . . A 26 SER HB3 . 18670 1 331 . 1 1 28 28 SER C C 13 173.762 0 . 1 . . . A 26 SER C . 18670 1 332 . 1 1 28 28 SER CA C 13 58.137 0.089 . 1 . . . A 26 SER CA . 18670 1 333 . 1 1 28 28 SER CB C 13 64.632 0.051 . 1 . . . A 26 SER CB . 18670 1 334 . 1 1 28 28 SER N N 15 119.524 0.032 . 1 . . . A 26 SER N . 18670 1 335 . 1 1 29 29 GLU H H 1 8.902 0.001 . 1 . . . A 27 GLU H . 18670 1 336 . 1 1 29 29 GLU HA H 1 3.993 0.004 . 1 . . . A 27 GLU HA . 18670 1 337 . 1 1 29 29 GLU HB3 H 1 2.049 0 . 1 . . . A 27 GLU HB3 . 18670 1 338 . 1 1 29 29 GLU HG3 H 1 2.391 0.001 . 1 . . . A 27 GLU HG3 . 18670 1 339 . 1 1 29 29 GLU C C 13 178.824 0 . 1 . . . A 27 GLU C . 18670 1 340 . 1 1 29 29 GLU CA C 13 60.289 0.094 . 1 . . . A 27 GLU CA . 18670 1 341 . 1 1 29 29 GLU CB C 13 29.043 0.064 . 1 . . . A 27 GLU CB . 18670 1 342 . 1 1 29 29 GLU CG C 13 36.786 0.041 . 1 . . . A 27 GLU CG . 18670 1 343 . 1 1 29 29 GLU N N 15 120.929 0.022 . 1 . . . A 27 GLU N . 18670 1 344 . 1 1 30 30 ASP H H 1 8.42 0.002 . 1 . . . A 28 ASP H . 18670 1 345 . 1 1 30 30 ASP HA H 1 4.425 0.003 . 1 . . . A 28 ASP HA . 18670 1 346 . 1 1 30 30 ASP HB2 H 1 2.673 0.001 . 2 . . . A 28 ASP HB2 . 18670 1 347 . 1 1 30 30 ASP HB3 H 1 2.498 0.001 . 2 . . . A 28 ASP HB3 . 18670 1 348 . 1 1 30 30 ASP C C 13 179.074 0 . 1 . . . A 28 ASP C . 18670 1 349 . 1 1 30 30 ASP CA C 13 56.977 0.075 . 1 . . . A 28 ASP CA . 18670 1 350 . 1 1 30 30 ASP CB C 13 40 0.021 . 1 . . . A 28 ASP CB . 18670 1 351 . 1 1 30 30 ASP N N 15 117.747 0.02 . 1 . . . A 28 ASP N . 18670 1 352 . 1 1 31 31 GLY H H 1 8.097 0.003 . 1 . . . A 29 GLY H . 18670 1 353 . 1 1 31 31 GLY HA2 H 1 3.632 0.006 . 2 . . . A 29 GLY HA2 . 18670 1 354 . 1 1 31 31 GLY HA3 H 1 3.521 0.004 . 2 . . . A 29 GLY HA3 . 18670 1 355 . 1 1 31 31 GLY C C 13 175.356 0 . 1 . . . A 29 GLY C . 18670 1 356 . 1 1 31 31 GLY CA C 13 47.431 0.06 . 1 . . . A 29 GLY CA . 18670 1 357 . 1 1 31 31 GLY N N 15 110.572 0.029 . 1 . . . A 29 GLY N . 18670 1 358 . 1 1 32 32 ALA H H 1 8.711 0.003 . 1 . . . A 30 ALA H . 18670 1 359 . 1 1 32 32 ALA HA H 1 3.738 0.003 . 1 . . . A 30 ALA HA . 18670 1 360 . 1 1 32 32 ALA HB1 H 1 1.473 0.002 . 1 . . . A 30 ALA HB1 . 18670 1 361 . 1 1 32 32 ALA HB2 H 1 1.473 0.002 . 1 . . . A 30 ALA HB2 . 18670 1 362 . 1 1 32 32 ALA HB3 H 1 1.473 0.002 . 1 . . . A 30 ALA HB3 . 18670 1 363 . 1 1 32 32 ALA C C 13 179.451 0 . 1 . . . A 30 ALA C . 18670 1 364 . 1 1 32 32 ALA CA C 13 55.336 0.093 . 1 . . . A 30 ALA CA . 18670 1 365 . 1 1 32 32 ALA CB C 13 18.225 0.067 . 1 . . . A 30 ALA CB . 18670 1 366 . 1 1 32 32 ALA N N 15 125.079 0.023 . 1 . . . A 30 ALA N . 18670 1 367 . 1 1 33 33 ASP H H 1 7.874 0.002 . 1 . . . A 31 ASP H . 18670 1 368 . 1 1 33 33 ASP HA H 1 4.484 0.006 . 1 . . . A 31 ASP HA . 18670 1 369 . 1 1 33 33 ASP HB2 H 1 2.76 0 . 2 . . . A 31 ASP HB2 . 18670 1 370 . 1 1 33 33 ASP HB3 H 1 2.947 0.002 . 2 . . . A 31 ASP HB3 . 18670 1 371 . 1 1 33 33 ASP C C 13 179.408 0 . 1 . . . A 31 ASP C . 18670 1 372 . 1 1 33 33 ASP CA C 13 57.743 0.027 . 1 . . . A 31 ASP CA . 18670 1 373 . 1 1 33 33 ASP CB C 13 39.953 0.013 . 1 . . . A 31 ASP CB . 18670 1 374 . 1 1 33 33 ASP N N 15 119.329 0.024 . 1 . . . A 31 ASP N . 18670 1 375 . 1 1 34 34 SER H H 1 7.739 0.001 . 1 . . . A 32 SER H . 18670 1 376 . 1 1 34 34 SER HA H 1 4.237 0 . 1 . . . A 32 SER HA . 18670 1 377 . 1 1 34 34 SER HB2 H 1 3.918 0 . 2 . . . A 32 SER HB2 . 18670 1 378 . 1 1 34 34 SER HB3 H 1 3.986 0 . 2 . . . A 32 SER HB3 . 18670 1 379 . 1 1 34 34 SER C C 13 176.672 0 . 1 . . . A 32 SER C . 18670 1 380 . 1 1 34 34 SER CA C 13 62.944 0.055 . 1 . . . A 32 SER CA . 18670 1 381 . 1 1 34 34 SER CB C 13 62.735 0.034 . 1 . . . A 32 SER CB . 18670 1 382 . 1 1 34 34 SER N N 15 116.715 0.038 . 1 . . . A 32 SER N . 18670 1 383 . 1 1 35 35 LEU H H 1 8.506 0.002 . 1 . . . A 33 LEU H . 18670 1 384 . 1 1 35 35 LEU HA H 1 3.845 0.002 . 1 . . . A 33 LEU HA . 18670 1 385 . 1 1 35 35 LEU HB2 H 1 1.043 0.001 . 2 . . . A 33 LEU HB2 . 18670 1 386 . 1 1 35 35 LEU HB3 H 1 1.636 0.005 . 2 . . . A 33 LEU HB3 . 18670 1 387 . 1 1 35 35 LEU HG H 1 1.487 0.005 . 1 . . . A 33 LEU HG . 18670 1 388 . 1 1 35 35 LEU HD11 H 1 0.449 0.007 . 2 . . . A 33 LEU HD11 . 18670 1 389 . 1 1 35 35 LEU HD12 H 1 0.449 0.007 . 2 . . . A 33 LEU HD12 . 18670 1 390 . 1 1 35 35 LEU HD13 H 1 0.449 0.007 . 2 . . . A 33 LEU HD13 . 18670 1 391 . 1 1 35 35 LEU HD21 H 1 0.129 0.004 . 2 . . . A 33 LEU HD21 . 18670 1 392 . 1 1 35 35 LEU HD22 H 1 0.129 0.004 . 2 . . . A 33 LEU HD22 . 18670 1 393 . 1 1 35 35 LEU HD23 H 1 0.129 0.004 . 2 . . . A 33 LEU HD23 . 18670 1 394 . 1 1 35 35 LEU C C 13 178.579 0 . 1 . . . A 33 LEU C . 18670 1 395 . 1 1 35 35 LEU CA C 13 56.894 0.138 . 1 . . . A 33 LEU CA . 18670 1 396 . 1 1 35 35 LEU CB C 13 41.119 0.08 . 1 . . . A 33 LEU CB . 18670 1 397 . 1 1 35 35 LEU CG C 13 25.88 0 . 1 . . . A 33 LEU CG . 18670 1 398 . 1 1 35 35 LEU CD1 C 13 25.112 0.149 . 2 . . . A 33 LEU CD1 . 18670 1 399 . 1 1 35 35 LEU CD2 C 13 22.094 0.062 . 2 . . . A 33 LEU CD2 . 18670 1 400 . 1 1 35 35 LEU N N 15 120.918 0.019 . 1 . . . A 33 LEU N . 18670 1 401 . 1 1 36 36 ASN H H 1 8.559 0.002 . 1 . . . A 34 ASN H . 18670 1 402 . 1 1 36 36 ASN HA H 1 4.507 0 . 1 . . . A 34 ASN HA . 18670 1 403 . 1 1 36 36 ASN HB3 H 1 3.034 0.006 . 1 . . . A 34 ASN HB3 . 18670 1 404 . 1 1 36 36 ASN HD21 H 1 6.91 0.001 . 1 . . . A 34 ASN HD21 . 18670 1 405 . 1 1 36 36 ASN HD22 H 1 7.6 0 . 1 . . . A 34 ASN HD22 . 18670 1 406 . 1 1 36 36 ASN C C 13 177.359 0 . 1 . . . A 34 ASN C . 18670 1 407 . 1 1 36 36 ASN CA C 13 57.556 0.044 . 1 . . . A 34 ASN CA . 18670 1 408 . 1 1 36 36 ASN CB C 13 38.439 0.01 . 1 . . . A 34 ASN CB . 18670 1 409 . 1 1 36 36 ASN N N 15 121.288 0.029 . 1 . . . A 34 ASN N . 18670 1 410 . 1 1 36 36 ASN ND2 N 15 113.194 0.029 . 1 . . . A 34 ASN ND2 . 18670 1 411 . 1 1 37 37 VAL H H 1 7.447 0.002 . 1 . . . A 35 VAL H . 18670 1 412 . 1 1 37 37 VAL HA H 1 3.87 0.004 . 1 . . . A 35 VAL HA . 18670 1 413 . 1 1 37 37 VAL HB H 1 2.439 0.001 . 1 . . . A 35 VAL HB . 18670 1 414 . 1 1 37 37 VAL HG11 H 1 1.09 0.008 . 2 . . . A 35 VAL HG11 . 18670 1 415 . 1 1 37 37 VAL HG12 H 1 1.09 0.008 . 2 . . . A 35 VAL HG12 . 18670 1 416 . 1 1 37 37 VAL HG13 H 1 1.09 0.008 . 2 . . . A 35 VAL HG13 . 18670 1 417 . 1 1 37 37 VAL HG21 H 1 0.94 0.005 . 2 . . . A 35 VAL HG21 . 18670 1 418 . 1 1 37 37 VAL HG22 H 1 0.94 0.005 . 2 . . . A 35 VAL HG22 . 18670 1 419 . 1 1 37 37 VAL HG23 H 1 0.94 0.005 . 2 . . . A 35 VAL HG23 . 18670 1 420 . 1 1 37 37 VAL C C 13 179.489 0 . 1 . . . A 35 VAL C . 18670 1 421 . 1 1 37 37 VAL CA C 13 66.662 0.117 . 1 . . . A 35 VAL CA . 18670 1 422 . 1 1 37 37 VAL CB C 13 31.462 0.062 . 1 . . . A 35 VAL CB . 18670 1 423 . 1 1 37 37 VAL CG1 C 13 22.272 0.036 . 2 . . . A 35 VAL CG1 . 18670 1 424 . 1 1 37 37 VAL CG2 C 13 22.601 0.09 . 2 . . . A 35 VAL CG2 . 18670 1 425 . 1 1 37 37 VAL N N 15 119.816 0.042 . 1 . . . A 35 VAL N . 18670 1 426 . 1 1 38 38 ALA H H 1 8.336 0.002 . 1 . . . A 36 ALA H . 18670 1 427 . 1 1 38 38 ALA HA H 1 3.84 0 . 1 . . . A 36 ALA HA . 18670 1 428 . 1 1 38 38 ALA HB1 H 1 1.525 0.004 . 1 . . . A 36 ALA HB1 . 18670 1 429 . 1 1 38 38 ALA HB2 H 1 1.525 0.004 . 1 . . . A 36 ALA HB2 . 18670 1 430 . 1 1 38 38 ALA HB3 H 1 1.525 0.004 . 1 . . . A 36 ALA HB3 . 18670 1 431 . 1 1 38 38 ALA C C 13 179.508 0 . 1 . . . A 36 ALA C . 18670 1 432 . 1 1 38 38 ALA CA C 13 56.095 0.061 . 1 . . . A 36 ALA CA . 18670 1 433 . 1 1 38 38 ALA CB C 13 18.199 0.015 . 1 . . . A 36 ALA CB . 18670 1 434 . 1 1 38 38 ALA N N 15 120.407 0.047 . 1 . . . A 36 ALA N . 18670 1 435 . 1 1 39 39 MET H H 1 9.001 0.001 . 1 . . . A 37 MET H . 18670 1 436 . 1 1 39 39 MET HA H 1 4 0.004 . 1 . . . A 37 MET HA . 18670 1 437 . 1 1 39 39 MET HB2 H 1 1.949 0 . 2 . . . A 37 MET HB2 . 18670 1 438 . 1 1 39 39 MET HB3 H 1 2.657 0.005 . 2 . . . A 37 MET HB3 . 18670 1 439 . 1 1 39 39 MET HG2 H 1 2.578 0 . 2 . . . A 37 MET HG2 . 18670 1 440 . 1 1 39 39 MET HG3 H 1 3.161 0 . 2 . . . A 37 MET HG3 . 18670 1 441 . 1 1 39 39 MET HE1 H 1 2.058 0 . 1 . . . A 37 MET HE1 . 18670 1 442 . 1 1 39 39 MET HE2 H 1 2.058 0 . 1 . . . A 37 MET HE2 . 18670 1 443 . 1 1 39 39 MET HE3 H 1 2.058 0 . 1 . . . A 37 MET HE3 . 18670 1 444 . 1 1 39 39 MET C C 13 178.73 0 . 1 . . . A 37 MET C . 18670 1 445 . 1 1 39 39 MET CA C 13 61.43 0.042 . 1 . . . A 37 MET CA . 18670 1 446 . 1 1 39 39 MET CB C 13 35.041 0.102 . 1 . . . A 37 MET CB . 18670 1 447 . 1 1 39 39 MET CG C 13 34.245 0.016 . 1 . . . A 37 MET CG . 18670 1 448 . 1 1 39 39 MET CE C 13 18.064 0.015 . 1 . . . A 37 MET CE . 18670 1 449 . 1 1 39 39 MET N N 15 115.707 0.023 . 1 . . . A 37 MET N . 18670 1 450 . 1 1 40 40 ASP H H 1 8.076 0.002 . 1 . . . A 38 ASP H . 18670 1 451 . 1 1 40 40 ASP HA H 1 4.554 0 . 1 . . . A 38 ASP HA . 18670 1 452 . 1 1 40 40 ASP HB2 H 1 2.81 0 . 2 . . . A 38 ASP HB2 . 18670 1 453 . 1 1 40 40 ASP HB3 H 1 3.079 0 . 2 . . . A 38 ASP HB3 . 18670 1 454 . 1 1 40 40 ASP C C 13 178.769 0 . 1 . . . A 38 ASP C . 18670 1 455 . 1 1 40 40 ASP CA C 13 58.274 0.037 . 1 . . . A 38 ASP CA . 18670 1 456 . 1 1 40 40 ASP CB C 13 39.724 0.02 . 1 . . . A 38 ASP CB . 18670 1 457 . 1 1 40 40 ASP N N 15 123.319 0.043 . 1 . . . A 38 ASP N . 18670 1 458 . 1 1 41 41 CYS H H 1 8.466 0.003 . 1 . . . A 39 CYS H . 18670 1 459 . 1 1 41 41 CYS HA H 1 4.146 0.003 . 1 . . . A 39 CYS HA . 18670 1 460 . 1 1 41 41 CYS HB2 H 1 2.984 0.005 . 2 . . . A 39 CYS HB2 . 18670 1 461 . 1 1 41 41 CYS HB3 H 1 3.087 0.004 . 2 . . . A 39 CYS HB3 . 18670 1 462 . 1 1 41 41 CYS C C 13 177.032 0 . 1 . . . A 39 CYS C . 18670 1 463 . 1 1 41 41 CYS CA C 13 64.215 0.081 . 1 . . . A 39 CYS CA . 18670 1 464 . 1 1 41 41 CYS CB C 13 27.819 0.068 . 1 . . . A 39 CYS CB . 18670 1 465 . 1 1 41 41 CYS N N 15 119.42 0.093 . 1 . . . A 39 CYS N . 18670 1 466 . 1 1 42 42 ILE H H 1 8.825 0.001 . 1 . . . A 40 ILE H . 18670 1 467 . 1 1 42 42 ILE HA H 1 3.278 0.002 . 1 . . . A 40 ILE HA . 18670 1 468 . 1 1 42 42 ILE HB H 1 1.768 0.004 . 1 . . . A 40 ILE HB . 18670 1 469 . 1 1 42 42 ILE HG12 H 1 0.675 0.008 . 2 . . . A 40 ILE HG12 . 18670 1 470 . 1 1 42 42 ILE HG13 H 1 1.926 0.003 . 2 . . . A 40 ILE HG13 . 18670 1 471 . 1 1 42 42 ILE HG21 H 1 1.108 0.005 . 1 . . . A 40 ILE HG21 . 18670 1 472 . 1 1 42 42 ILE HG22 H 1 1.108 0.005 . 1 . . . A 40 ILE HG22 . 18670 1 473 . 1 1 42 42 ILE HG23 H 1 1.108 0.005 . 1 . . . A 40 ILE HG23 . 18670 1 474 . 1 1 42 42 ILE HD11 H 1 1.168 0.004 . 1 . . . A 40 ILE HD11 . 18670 1 475 . 1 1 42 42 ILE HD12 H 1 1.168 0.004 . 1 . . . A 40 ILE HD12 . 18670 1 476 . 1 1 42 42 ILE HD13 H 1 1.168 0.004 . 1 . . . A 40 ILE HD13 . 18670 1 477 . 1 1 42 42 ILE C C 13 176.534 0 . 1 . . . A 40 ILE C . 18670 1 478 . 1 1 42 42 ILE CA C 13 65.931 0.135 . 1 . . . A 40 ILE CA . 18670 1 479 . 1 1 42 42 ILE CB C 13 39.279 0.084 . 1 . . . A 40 ILE CB . 18670 1 480 . 1 1 42 42 ILE CG1 C 13 29.021 0.092 . 1 . . . A 40 ILE CG1 . 18670 1 481 . 1 1 42 42 ILE CG2 C 13 18.951 0.082 . 1 . . . A 40 ILE CG2 . 18670 1 482 . 1 1 42 42 ILE CD1 C 13 14.988 0.055 . 1 . . . A 40 ILE CD1 . 18670 1 483 . 1 1 42 42 ILE N N 15 120.13 0.005 . 1 . . . A 40 ILE N . 18670 1 484 . 1 1 43 43 SER H H 1 7.622 0.003 . 1 . . . A 41 SER H . 18670 1 485 . 1 1 43 43 SER HA H 1 3.013 0.004 . 1 . . . A 41 SER HA . 18670 1 486 . 1 1 43 43 SER HB2 H 1 3.922 0.002 . 2 . . . A 41 SER HB2 . 18670 1 487 . 1 1 43 43 SER HB3 H 1 3.782 0.003 . 2 . . . A 41 SER HB3 . 18670 1 488 . 1 1 43 43 SER C C 13 175.449 0 . 1 . . . A 41 SER C . 18670 1 489 . 1 1 43 43 SER CA C 13 62.285 0.073 . 1 . . . A 41 SER CA . 18670 1 490 . 1 1 43 43 SER CB C 13 62.371 0 . 1 . . . A 41 SER CB . 18670 1 491 . 1 1 43 43 SER N N 15 114.938 0.034 . 1 . . . A 41 SER N . 18670 1 492 . 1 1 44 44 GLU H H 1 7.741 0.002 . 1 . . . A 42 GLU H . 18670 1 493 . 1 1 44 44 GLU HA H 1 3.945 0.004 . 1 . . . A 42 GLU HA . 18670 1 494 . 1 1 44 44 GLU HB2 H 1 2.076 0 . 2 . . . A 42 GLU HB2 . 18670 1 495 . 1 1 44 44 GLU HB3 H 1 1.996 0.001 . 2 . . . A 42 GLU HB3 . 18670 1 496 . 1 1 44 44 GLU HG3 H 1 2.306 0 . 1 . . . A 42 GLU HG3 . 18670 1 497 . 1 1 44 44 GLU C C 13 179.853 0 . 1 . . . A 42 GLU C . 18670 1 498 . 1 1 44 44 GLU CA C 13 58.944 0.061 . 1 . . . A 42 GLU CA . 18670 1 499 . 1 1 44 44 GLU CB C 13 29.208 0.007 . 1 . . . A 42 GLU CB . 18670 1 500 . 1 1 44 44 GLU CG C 13 35.772 0 . 1 . . . A 42 GLU CG . 18670 1 501 . 1 1 44 44 GLU N N 15 120.061 0.018 . 1 . . . A 42 GLU N . 18670 1 502 . 1 1 45 45 ALA H H 1 8.179 0.001 . 1 . . . A 43 ALA H . 18670 1 503 . 1 1 45 45 ALA HA H 1 3.842 0 . 1 . . . A 43 ALA HA . 18670 1 504 . 1 1 45 45 ALA HB1 H 1 1.052 0.005 . 1 . . . A 43 ALA HB1 . 18670 1 505 . 1 1 45 45 ALA HB2 H 1 1.052 0.005 . 1 . . . A 43 ALA HB2 . 18670 1 506 . 1 1 45 45 ALA HB3 H 1 1.052 0.005 . 1 . . . A 43 ALA HB3 . 18670 1 507 . 1 1 45 45 ALA C C 13 178.26 0 . 1 . . . A 43 ALA C . 18670 1 508 . 1 1 45 45 ALA CA C 13 54.742 0.069 . 1 . . . A 43 ALA CA . 18670 1 509 . 1 1 45 45 ALA CB C 13 18.75 0.08 . 1 . . . A 43 ALA CB . 18670 1 510 . 1 1 45 45 ALA N N 15 121.388 0.033 . 1 . . . A 43 ALA N . 18670 1 511 . 1 1 46 46 PHE H H 1 7.43 0.002 . 1 . . . A 44 PHE H . 18670 1 512 . 1 1 46 46 PHE HA H 1 4.5 0.004 . 1 . . . A 44 PHE HA . 18670 1 513 . 1 1 46 46 PHE HB2 H 1 2.664 0 . 2 . . . A 44 PHE HB2 . 18670 1 514 . 1 1 46 46 PHE HB3 H 1 3.496 0.003 . 2 . . . A 44 PHE HB3 . 18670 1 515 . 1 1 46 46 PHE HD1 H 1 7.657 0.002 . 3 . . . A 44 PHE HD1 . 18670 1 516 . 1 1 46 46 PHE HD2 H 1 7.657 0.002 . 3 . . . A 44 PHE HD2 . 18670 1 517 . 1 1 46 46 PHE HZ H 1 7.177 0.002 . 1 . . . A 44 PHE HZ . 18670 1 518 . 1 1 46 46 PHE C C 13 175.619 0 . 1 . . . A 44 PHE C . 18670 1 519 . 1 1 46 46 PHE CA C 13 58.7 0.08 . 1 . . . A 44 PHE CA . 18670 1 520 . 1 1 46 46 PHE CB C 13 40.113 0.041 . 1 . . . A 44 PHE CB . 18670 1 521 . 1 1 46 46 PHE CD1 C 13 132.995 0.036 . 3 . . . A 44 PHE CD1 . 18670 1 522 . 1 1 46 46 PHE CD2 C 13 132.995 0.036 . 3 . . . A 44 PHE CD2 . 18670 1 523 . 1 1 46 46 PHE CZ C 13 127.78 0.018 . 1 . . . A 44 PHE CZ . 18670 1 524 . 1 1 46 46 PHE N N 15 110.098 0.038 . 1 . . . A 44 PHE N . 18670 1 525 . 1 1 47 47 GLY H H 1 7.72 0.002 . 1 . . . A 45 GLY H . 18670 1 526 . 1 1 47 47 GLY HA2 H 1 4.063 0 . 2 . . . A 45 GLY HA2 . 18670 1 527 . 1 1 47 47 GLY HA3 H 1 3.946 0 . 2 . . . A 45 GLY HA3 . 18670 1 528 . 1 1 47 47 GLY C C 13 173.983 0 . 1 . . . A 45 GLY C . 18670 1 529 . 1 1 47 47 GLY CA C 13 47.236 0.065 . 1 . . . A 45 GLY CA . 18670 1 530 . 1 1 47 47 GLY N N 15 109.042 0.017 . 1 . . . A 45 GLY N . 18670 1 531 . 1 1 48 48 PHE H H 1 7.926 0.001 . 1 . . . A 46 PHE H . 18670 1 532 . 1 1 48 48 PHE HA H 1 5.216 0.001 . 1 . . . A 46 PHE HA . 18670 1 533 . 1 1 48 48 PHE HB2 H 1 3.011 0.003 . 2 . . . A 46 PHE HB2 . 18670 1 534 . 1 1 48 48 PHE HB3 H 1 3.143 0.004 . 2 . . . A 46 PHE HB3 . 18670 1 535 . 1 1 48 48 PHE HD1 H 1 7.088 0.003 . 3 . . . A 46 PHE HD1 . 18670 1 536 . 1 1 48 48 PHE HD2 H 1 7.088 0.003 . 3 . . . A 46 PHE HD2 . 18670 1 537 . 1 1 48 48 PHE HE1 H 1 7.16 0.002 . 3 . . . A 46 PHE HE1 . 18670 1 538 . 1 1 48 48 PHE HE2 H 1 7.16 0.002 . 3 . . . A 46 PHE HE2 . 18670 1 539 . 1 1 48 48 PHE HZ H 1 6.766 0.001 . 1 . . . A 46 PHE HZ . 18670 1 540 . 1 1 48 48 PHE C C 13 173.918 0 . 1 . . . A 46 PHE C . 18670 1 541 . 1 1 48 48 PHE CA C 13 54.387 0.089 . 1 . . . A 46 PHE CA . 18670 1 542 . 1 1 48 48 PHE CB C 13 41.589 0.034 . 1 . . . A 46 PHE CB . 18670 1 543 . 1 1 48 48 PHE CD1 C 13 133.109 0.062 . 3 . . . A 46 PHE CD1 . 18670 1 544 . 1 1 48 48 PHE CD2 C 13 133.109 0.062 . 3 . . . A 46 PHE CD2 . 18670 1 545 . 1 1 48 48 PHE CE1 C 13 130.951 0.011 . 3 . . . A 46 PHE CE1 . 18670 1 546 . 1 1 48 48 PHE CE2 C 13 130.951 0.011 . 3 . . . A 46 PHE CE2 . 18670 1 547 . 1 1 48 48 PHE CZ C 13 126.862 0.01 . 1 . . . A 46 PHE CZ . 18670 1 548 . 1 1 48 48 PHE N N 15 116.125 0.021 . 1 . . . A 46 PHE N . 18670 1 549 . 1 1 49 49 GLU H H 1 8.411 0.001 . 1 . . . A 47 GLU H . 18670 1 550 . 1 1 49 49 GLU HA H 1 4.607 0.002 . 1 . . . A 47 GLU HA . 18670 1 551 . 1 1 49 49 GLU HB2 H 1 2.356 0.007 . 2 . . . A 47 GLU HB2 . 18670 1 552 . 1 1 49 49 GLU HB3 H 1 2 0.003 . 2 . . . A 47 GLU HB3 . 18670 1 553 . 1 1 49 49 GLU HG3 H 1 2.378 0 . 1 . . . A 47 GLU HG3 . 18670 1 554 . 1 1 49 49 GLU C C 13 178.365 0 . 1 . . . A 47 GLU C . 18670 1 555 . 1 1 49 49 GLU CA C 13 55.029 0.062 . 1 . . . A 47 GLU CA . 18670 1 556 . 1 1 49 49 GLU CB C 13 30.764 0.144 . 1 . . . A 47 GLU CB . 18670 1 557 . 1 1 49 49 GLU CG C 13 36.382 0.011 . 1 . . . A 47 GLU CG . 18670 1 558 . 1 1 49 49 GLU N N 15 118.641 0.03 . 1 . . . A 47 GLU N . 18670 1 559 . 1 1 50 50 ARG H H 1 9.396 0.004 . 1 . . . A 48 ARG H . 18670 1 560 . 1 1 50 50 ARG HA H 1 4.123 0.002 . 1 . . . A 48 ARG HA . 18670 1 561 . 1 1 50 50 ARG HB3 H 1 2.024 0.004 . 1 . . . A 48 ARG HB3 . 18670 1 562 . 1 1 50 50 ARG HG2 H 1 1.893 0.004 . 2 . . . A 48 ARG HG2 . 18670 1 563 . 1 1 50 50 ARG HG3 H 1 1.709 0.005 . 2 . . . A 48 ARG HG3 . 18670 1 564 . 1 1 50 50 ARG HD3 H 1 3.244 0.005 . 1 . . . A 48 ARG HD3 . 18670 1 565 . 1 1 50 50 ARG HE H 1 7.454 0.002 . 1 . . . A 48 ARG HE . 18670 1 566 . 1 1 50 50 ARG C C 13 179.377 0 . 1 . . . A 48 ARG C . 18670 1 567 . 1 1 50 50 ARG CA C 13 60.117 0.078 . 1 . . . A 48 ARG CA . 18670 1 568 . 1 1 50 50 ARG CB C 13 30.151 0.074 . 1 . . . A 48 ARG CB . 18670 1 569 . 1 1 50 50 ARG CG C 13 27.498 0.037 . 1 . . . A 48 ARG CG . 18670 1 570 . 1 1 50 50 ARG CD C 13 44.035 0.032 . 1 . . . A 48 ARG CD . 18670 1 571 . 1 1 50 50 ARG N N 15 125.313 0.033 . 1 . . . A 48 ARG N . 18670 1 572 . 1 1 50 50 ARG NE N 15 82.677 0.042 . 1 . . . A 48 ARG NE . 18670 1 573 . 1 1 51 51 GLU H H 1 9.029 0.004 . 1 . . . A 49 GLU H . 18670 1 574 . 1 1 51 51 GLU HA H 1 4.252 0.002 . 1 . . . A 49 GLU HA . 18670 1 575 . 1 1 51 51 GLU HB2 H 1 2.15 0 . 2 . . . A 49 GLU HB2 . 18670 1 576 . 1 1 51 51 GLU HB3 H 1 2.111 0 . 2 . . . A 49 GLU HB3 . 18670 1 577 . 1 1 51 51 GLU HG2 H 1 2.364 0 . 2 . . . A 49 GLU HG2 . 18670 1 578 . 1 1 51 51 GLU HG3 H 1 2.401 0.001 . 2 . . . A 49 GLU HG3 . 18670 1 579 . 1 1 51 51 GLU C C 13 176.884 0 . 1 . . . A 49 GLU C . 18670 1 580 . 1 1 51 51 GLU CA C 13 58.355 0.015 . 1 . . . A 49 GLU CA . 18670 1 581 . 1 1 51 51 GLU CB C 13 29.043 0.043 . 1 . . . A 49 GLU CB . 18670 1 582 . 1 1 51 51 GLU CG C 13 36.475 0.039 . 1 . . . A 49 GLU CG . 18670 1 583 . 1 1 51 51 GLU N N 15 116.154 0.078 . 1 . . . A 49 GLU N . 18670 1 584 . 1 1 52 52 ALA H H 1 8.166 0.003 . 1 . . . A 50 ALA H . 18670 1 585 . 1 1 52 52 ALA HA H 1 4.523 0.001 . 1 . . . A 50 ALA HA . 18670 1 586 . 1 1 52 52 ALA HB1 H 1 1.706 0.003 . 1 . . . A 50 ALA HB1 . 18670 1 587 . 1 1 52 52 ALA HB2 H 1 1.706 0.003 . 1 . . . A 50 ALA HB2 . 18670 1 588 . 1 1 52 52 ALA HB3 H 1 1.706 0.003 . 1 . . . A 50 ALA HB3 . 18670 1 589 . 1 1 52 52 ALA C C 13 178.54 0 . 1 . . . A 50 ALA C . 18670 1 590 . 1 1 52 52 ALA CA C 13 52.577 0.077 . 1 . . . A 50 ALA CA . 18670 1 591 . 1 1 52 52 ALA CB C 13 19.927 0.047 . 1 . . . A 50 ALA CB . 18670 1 592 . 1 1 52 52 ALA N N 15 121.502 0.048 . 1 . . . A 50 ALA N . 18670 1 593 . 1 1 53 53 VAL H H 1 7.396 0.004 . 1 . . . A 51 VAL H . 18670 1 594 . 1 1 53 53 VAL HA H 1 3.322 0.005 . 1 . . . A 51 VAL HA . 18670 1 595 . 1 1 53 53 VAL HB H 1 2.217 0.006 . 1 . . . A 51 VAL HB . 18670 1 596 . 1 1 53 53 VAL HG11 H 1 1.241 0.008 . 2 . . . A 51 VAL HG11 . 18670 1 597 . 1 1 53 53 VAL HG12 H 1 1.241 0.008 . 2 . . . A 51 VAL HG12 . 18670 1 598 . 1 1 53 53 VAL HG13 H 1 1.241 0.008 . 2 . . . A 51 VAL HG13 . 18670 1 599 . 1 1 53 53 VAL HG21 H 1 0.968 0.007 . 2 . . . A 51 VAL HG21 . 18670 1 600 . 1 1 53 53 VAL HG22 H 1 0.968 0.007 . 2 . . . A 51 VAL HG22 . 18670 1 601 . 1 1 53 53 VAL HG23 H 1 0.968 0.007 . 2 . . . A 51 VAL HG23 . 18670 1 602 . 1 1 53 53 VAL C C 13 176.757 0 . 1 . . . A 51 VAL C . 18670 1 603 . 1 1 53 53 VAL CA C 13 67.432 0.145 . 1 . . . A 51 VAL CA . 18670 1 604 . 1 1 53 53 VAL CB C 13 32.064 0 . 1 . . . A 51 VAL CB . 18670 1 605 . 1 1 53 53 VAL CG1 C 13 24.335 0.064 . 2 . . . A 51 VAL CG1 . 18670 1 606 . 1 1 53 53 VAL CG2 C 13 21.788 0.155 . 2 . . . A 51 VAL CG2 . 18670 1 607 . 1 1 53 53 VAL N N 15 118.373 0.017 . 1 . . . A 51 VAL N . 18670 1 608 . 1 1 54 54 SER H H 1 8.653 0.005 . 1 . . . A 52 SER H . 18670 1 609 . 1 1 54 54 SER HA H 1 3.931 0.001 . 1 . . . A 52 SER HA . 18670 1 610 . 1 1 54 54 SER HB3 H 1 4.114 0.001 . 1 . . . A 52 SER HB3 . 18670 1 611 . 1 1 54 54 SER C C 13 177.696 0 . 1 . . . A 52 SER C . 18670 1 612 . 1 1 54 54 SER CA C 13 62.117 0.055 . 1 . . . A 52 SER CA . 18670 1 613 . 1 1 54 54 SER CB C 13 61.987 0.04 . 1 . . . A 52 SER CB . 18670 1 614 . 1 1 54 54 SER N N 15 114.512 0.077 . 1 . . . A 52 SER N . 18670 1 615 . 1 1 55 55 GLY H H 1 8.278 0.005 . 1 . . . A 53 GLY H . 18670 1 616 . 1 1 55 55 GLY HA3 H 1 3.913 0 . 1 . . . A 53 GLY HA3 . 18670 1 617 . 1 1 55 55 GLY C C 13 176.448 0 . 1 . . . A 53 GLY C . 18670 1 618 . 1 1 55 55 GLY CA C 13 46.454 0.089 . 1 . . . A 53 GLY CA . 18670 1 619 . 1 1 55 55 GLY N N 15 111.897 0.019 . 1 . . . A 53 GLY N . 18670 1 620 . 1 1 56 56 ILE H H 1 7.87 0.001 . 1 . . . A 54 ILE H . 18670 1 621 . 1 1 56 56 ILE HA H 1 3.602 0.003 . 1 . . . A 54 ILE HA . 18670 1 622 . 1 1 56 56 ILE HB H 1 1.572 0.006 . 1 . . . A 54 ILE HB . 18670 1 623 . 1 1 56 56 ILE HG12 H 1 1.552 0.005 . 2 . . . A 54 ILE HG12 . 18670 1 624 . 1 1 56 56 ILE HG13 H 1 0.886 0.004 . 2 . . . A 54 ILE HG13 . 18670 1 625 . 1 1 56 56 ILE HG21 H 1 0.638 0.004 . 1 . . . A 54 ILE HG21 . 18670 1 626 . 1 1 56 56 ILE HG22 H 1 0.638 0.004 . 1 . . . A 54 ILE HG22 . 18670 1 627 . 1 1 56 56 ILE HG23 H 1 0.638 0.004 . 1 . . . A 54 ILE HG23 . 18670 1 628 . 1 1 56 56 ILE HD11 H 1 0.268 0.004 . 1 . . . A 54 ILE HD11 . 18670 1 629 . 1 1 56 56 ILE HD12 H 1 0.268 0.004 . 1 . . . A 54 ILE HD12 . 18670 1 630 . 1 1 56 56 ILE HD13 H 1 0.268 0.004 . 1 . . . A 54 ILE HD13 . 18670 1 631 . 1 1 56 56 ILE C C 13 179.27 0 . 1 . . . A 54 ILE C . 18670 1 632 . 1 1 56 56 ILE CA C 13 65.015 0.175 . 1 . . . A 54 ILE CA . 18670 1 633 . 1 1 56 56 ILE CB C 13 38.785 0.059 . 1 . . . A 54 ILE CB . 18670 1 634 . 1 1 56 56 ILE CG1 C 13 28.581 0.048 . 1 . . . A 54 ILE CG1 . 18670 1 635 . 1 1 56 56 ILE CG2 C 13 17.202 0.063 . 1 . . . A 54 ILE CG2 . 18670 1 636 . 1 1 56 56 ILE CD1 C 13 13.388 0.033 . 1 . . . A 54 ILE CD1 . 18670 1 637 . 1 1 56 56 ILE N N 15 123.054 0.034 . 1 . . . A 54 ILE N . 18670 1 638 . 1 1 57 57 LEU H H 1 8.311 0.003 . 1 . . . A 55 LEU H . 18670 1 639 . 1 1 57 57 LEU HA H 1 4.115 0.002 . 1 . . . A 55 LEU HA . 18670 1 640 . 1 1 57 57 LEU HB2 H 1 1.446 0.004 . 2 . . . A 55 LEU HB2 . 18670 1 641 . 1 1 57 57 LEU HB3 H 1 1.781 0.003 . 2 . . . A 55 LEU HB3 . 18670 1 642 . 1 1 57 57 LEU HG H 1 1.666 0.004 . 1 . . . A 55 LEU HG . 18670 1 643 . 1 1 57 57 LEU HD11 H 1 0.776 0.003 . 2 . . . A 55 LEU HD11 . 18670 1 644 . 1 1 57 57 LEU HD12 H 1 0.776 0.003 . 2 . . . A 55 LEU HD12 . 18670 1 645 . 1 1 57 57 LEU HD13 H 1 0.776 0.003 . 2 . . . A 55 LEU HD13 . 18670 1 646 . 1 1 57 57 LEU HD21 H 1 0.824 0.004 . 2 . . . A 55 LEU HD21 . 18670 1 647 . 1 1 57 57 LEU HD22 H 1 0.824 0.004 . 2 . . . A 55 LEU HD22 . 18670 1 648 . 1 1 57 57 LEU HD23 H 1 0.824 0.004 . 2 . . . A 55 LEU HD23 . 18670 1 649 . 1 1 57 57 LEU C C 13 181.234 0 . 1 . . . A 55 LEU C . 18670 1 650 . 1 1 57 57 LEU CA C 13 56.787 0.046 . 1 . . . A 55 LEU CA . 18670 1 651 . 1 1 57 57 LEU CB C 13 41.237 0.053 . 1 . . . A 55 LEU CB . 18670 1 652 . 1 1 57 57 LEU CG C 13 26.814 0.037 . 1 . . . A 55 LEU CG . 18670 1 653 . 1 1 57 57 LEU CD1 C 13 25.177 0.052 . 2 . . . A 55 LEU CD1 . 18670 1 654 . 1 1 57 57 LEU CD2 C 13 22.772 0.083 . 2 . . . A 55 LEU CD2 . 18670 1 655 . 1 1 57 57 LEU N N 15 118.089 0.042 . 1 . . . A 55 LEU N . 18670 1 656 . 1 1 58 58 GLY H H 1 8.304 0.002 . 1 . . . A 56 GLY H . 18670 1 657 . 1 1 58 58 GLY HA2 H 1 3.901 0 . 2 . . . A 56 GLY HA2 . 18670 1 658 . 1 1 58 58 GLY HA3 H 1 3.985 0 . 2 . . . A 56 GLY HA3 . 18670 1 659 . 1 1 58 58 GLY CA C 13 46.675 0.016 . 1 . . . A 56 GLY CA . 18670 1 660 . 1 1 58 58 GLY N N 15 107.47 0.011 . 1 . . . A 56 GLY N . 18670 1 661 . 1 1 59 59 LYS HA H 1 4.554 0.001 . 1 . . . A 57 LYS HA . 18670 1 662 . 1 1 59 59 LYS HB2 H 1 1.977 0.003 . 2 . . . A 57 LYS HB2 . 18670 1 663 . 1 1 59 59 LYS HB3 H 1 1.846 0.003 . 2 . . . A 57 LYS HB3 . 18670 1 664 . 1 1 59 59 LYS HG2 H 1 1.543 0 . 2 . . . A 57 LYS HG2 . 18670 1 665 . 1 1 59 59 LYS HG3 H 1 1.51 0 . 2 . . . A 57 LYS HG3 . 18670 1 666 . 1 1 59 59 LYS HD3 H 1 1.665 0 . 1 . . . A 57 LYS HD3 . 18670 1 667 . 1 1 59 59 LYS HE3 H 1 2.98 0.003 . 1 . . . A 57 LYS HE3 . 18670 1 668 . 1 1 59 59 LYS C C 13 175.671 0 . 1 . . . A 57 LYS C . 18670 1 669 . 1 1 59 59 LYS CA C 13 55.69 0.063 . 1 . . . A 57 LYS CA . 18670 1 670 . 1 1 59 59 LYS CB C 13 32.893 0.073 . 1 . . . A 57 LYS CB . 18670 1 671 . 1 1 59 59 LYS CG C 13 24.538 0.053 . 1 . . . A 57 LYS CG . 18670 1 672 . 1 1 59 59 LYS CD C 13 29.257 0.024 . 1 . . . A 57 LYS CD . 18670 1 673 . 1 1 59 59 LYS CE C 13 42.142 0.006 . 1 . . . A 57 LYS CE . 18670 1 674 . 1 1 60 60 SER H H 1 7.651 0.007 . 1 . . . A 58 SER H . 18670 1 675 . 1 1 60 60 SER HA H 1 4.673 0 . 1 . . . A 58 SER HA . 18670 1 676 . 1 1 60 60 SER HB3 H 1 3.909 0.005 . 1 . . . A 58 SER HB3 . 18670 1 677 . 1 1 60 60 SER CA C 13 57.959 0 . 1 . . . A 58 SER CA . 18670 1 678 . 1 1 60 60 SER CB C 13 67.144 0.063 . 1 . . . A 58 SER CB . 18670 1 679 . 1 1 60 60 SER N N 15 116.852 0.022 . 1 . . . A 58 SER N . 18670 1 680 . 1 1 61 61 GLU H H 1 9.08 0 . 1 . . . A 59 GLU H . 18670 1 681 . 1 1 61 61 GLU HA H 1 4.194 0.006 . 1 . . . A 59 GLU HA . 18670 1 682 . 1 1 61 61 GLU HB2 H 1 1.68 0.003 . 2 . . . A 59 GLU HB2 . 18670 1 683 . 1 1 61 61 GLU HB3 H 1 1.855 0.002 . 2 . . . A 59 GLU HB3 . 18670 1 684 . 1 1 61 61 GLU HG3 H 1 1.965 0.008 . 1 . . . A 59 GLU HG3 . 18670 1 685 . 1 1 61 61 GLU C C 13 176.649 0 . 1 . . . A 59 GLU C . 18670 1 686 . 1 1 61 61 GLU CA C 13 57.14 0.093 . 1 . . . A 59 GLU CA . 18670 1 687 . 1 1 61 61 GLU CB C 13 29.123 0.076 . 1 . . . A 59 GLU CB . 18670 1 688 . 1 1 61 61 GLU CG C 13 35.316 0.044 . 1 . . . A 59 GLU CG . 18670 1 689 . 1 1 62 62 PHE H H 1 8.106 0.01 . 1 . . . A 60 PHE H . 18670 1 690 . 1 1 62 62 PHE HA H 1 4.638 0.003 . 1 . . . A 60 PHE HA . 18670 1 691 . 1 1 62 62 PHE HB2 H 1 3.245 0.003 . 2 . . . A 60 PHE HB2 . 18670 1 692 . 1 1 62 62 PHE HB3 H 1 2.745 0 . 2 . . . A 60 PHE HB3 . 18670 1 693 . 1 1 62 62 PHE HD1 H 1 7.033 0.003 . 3 . . . A 60 PHE HD1 . 18670 1 694 . 1 1 62 62 PHE HD2 H 1 7.033 0.003 . 3 . . . A 60 PHE HD2 . 18670 1 695 . 1 1 62 62 PHE HE1 H 1 7.097 0.001 . 3 . . . A 60 PHE HE1 . 18670 1 696 . 1 1 62 62 PHE HE2 H 1 7.097 0.001 . 3 . . . A 60 PHE HE2 . 18670 1 697 . 1 1 62 62 PHE CA C 13 56.745 0 . 1 . . . A 60 PHE CA . 18670 1 698 . 1 1 62 62 PHE CB C 13 38.914 0.019 . 1 . . . A 60 PHE CB . 18670 1 699 . 1 1 62 62 PHE CD1 C 13 131.195 0.001 . 3 . . . A 60 PHE CD1 . 18670 1 700 . 1 1 62 62 PHE CD2 C 13 131.195 0.001 . 3 . . . A 60 PHE CD2 . 18670 1 701 . 1 1 62 62 PHE CE1 C 13 131.254 0.028 . 3 . . . A 60 PHE CE1 . 18670 1 702 . 1 1 62 62 PHE CE2 C 13 131.254 0.028 . 3 . . . A 60 PHE CE2 . 18670 1 703 . 1 1 62 62 PHE N N 15 117.967 0.061 . 1 . . . A 60 PHE N . 18670 1 704 . 1 1 63 63 LYS HE3 H 1 3.005 0 . 1 . . . A 61 LYS HE3 . 18670 1 705 . 1 1 63 63 LYS CE C 13 42.134 0 . 1 . . . A 61 LYS CE . 18670 1 706 . 1 1 64 64 GLY H H 1 8.675 0.001 . 1 . . . A 62 GLY H . 18670 1 707 . 1 1 64 64 GLY HA2 H 1 3.771 0.002 . 2 . . . A 62 GLY HA2 . 18670 1 708 . 1 1 64 64 GLY HA3 H 1 3.974 0.005 . 2 . . . A 62 GLY HA3 . 18670 1 709 . 1 1 64 64 GLY C C 13 174.072 0 . 1 . . . A 62 GLY C . 18670 1 710 . 1 1 64 64 GLY CA C 13 45.681 0.04 . 1 . . . A 62 GLY CA . 18670 1 711 . 1 1 65 65 GLN H H 1 8.049 0.001 . 1 . . . A 63 GLN H . 18670 1 712 . 1 1 65 65 GLN HA H 1 4.448 0 . 1 . . . A 63 GLN HA . 18670 1 713 . 1 1 65 65 GLN HB3 H 1 1.997 0.005 . 1 . . . A 63 GLN HB3 . 18670 1 714 . 1 1 65 65 GLN HG2 H 1 2.293 0 . 2 . . . A 63 GLN HG2 . 18670 1 715 . 1 1 65 65 GLN HG3 H 1 2.179 0.005 . 2 . . . A 63 GLN HG3 . 18670 1 716 . 1 1 65 65 GLN HE21 H 1 6.771 0.001 . 1 . . . A 63 GLN HE21 . 18670 1 717 . 1 1 65 65 GLN HE22 H 1 7.397 0.001 . 1 . . . A 63 GLN HE22 . 18670 1 718 . 1 1 65 65 GLN C C 13 174.848 0 . 1 . . . A 63 GLN C . 18670 1 719 . 1 1 65 65 GLN CA C 13 55.354 0.151 . 1 . . . A 63 GLN CA . 18670 1 720 . 1 1 65 65 GLN CB C 13 31.01 0.061 . 1 . . . A 63 GLN CB . 18670 1 721 . 1 1 65 65 GLN N N 15 118.607 0.038 . 1 . . . A 63 GLN N . 18670 1 722 . 1 1 65 65 GLN NE2 N 15 111.178 0.007 . 1 . . . A 63 GLN NE2 . 18670 1 723 . 1 1 66 66 HIS H H 1 8.587 0.003 . 1 . . . A 64 HIS H . 18670 1 724 . 1 1 66 66 HIS HA H 1 4.736 0.016 . 1 . . . A 64 HIS HA . 18670 1 725 . 1 1 66 66 HIS HB2 H 1 3.361 0.005 . 2 . . . A 64 HIS HB2 . 18670 1 726 . 1 1 66 66 HIS HB3 H 1 3.105 0.008 . 2 . . . A 64 HIS HB3 . 18670 1 727 . 1 1 66 66 HIS HD2 H 1 7.213 0.001 . 1 . . . A 64 HIS HD2 . 18670 1 728 . 1 1 66 66 HIS HE1 H 1 8.243 0 . 1 . . . A 64 HIS HE1 . 18670 1 729 . 1 1 66 66 HIS CA C 13 55.017 0.02 . 1 . . . A 64 HIS CA . 18670 1 730 . 1 1 66 66 HIS CB C 13 31.368 0.11 . 1 . . . A 64 HIS CB . 18670 1 731 . 1 1 66 66 HIS CD2 C 13 119.856 0.074 . 1 . . . A 64 HIS CD2 . 18670 1 732 . 1 1 66 66 HIS N N 15 118.572 0.041 . 1 . . . A 64 HIS N . 18670 1 733 . 1 1 68 68 ALA H H 1 8.163 0 . 1 . . . A 66 ALA H . 18670 1 734 . 1 1 68 68 ALA HB1 H 1 1.41 0 . 1 . . . A 66 ALA HB1 . 18670 1 735 . 1 1 68 68 ALA HB2 H 1 1.41 0 . 1 . . . A 66 ALA HB2 . 18670 1 736 . 1 1 68 68 ALA HB3 H 1 1.41 0 . 1 . . . A 66 ALA HB3 . 18670 1 737 . 1 1 68 68 ALA CA C 13 52.92 0.093 . 1 . . . A 66 ALA CA . 18670 1 738 . 1 1 68 68 ALA CB C 13 19.28 0.006 . 1 . . . A 66 ALA CB . 18670 1 739 . 1 1 68 68 ALA N N 15 123.724 0 . 1 . . . A 66 ALA N . 18670 1 740 . 1 1 69 69 ASP C C 13 178.47 0 . 1 . . . A 67 ASP C . 18670 1 741 . 1 1 69 69 ASP CA C 13 56.49 0 . 1 . . . A 67 ASP CA . 18670 1 742 . 1 1 70 70 ILE H H 1 7.627 0.001 . 1 . . . A 68 ILE H . 18670 1 743 . 1 1 70 70 ILE HA H 1 3.762 0 . 1 . . . A 68 ILE HA . 18670 1 744 . 1 1 70 70 ILE HB H 1 1.67 0.008 . 1 . . . A 68 ILE HB . 18670 1 745 . 1 1 70 70 ILE HG12 H 1 1.565 0.005 . 2 . . . A 68 ILE HG12 . 18670 1 746 . 1 1 70 70 ILE HG13 H 1 1.024 0.004 . 2 . . . A 68 ILE HG13 . 18670 1 747 . 1 1 70 70 ILE HD11 H 1 0.601 0.003 . 1 . . . A 68 ILE HD11 . 18670 1 748 . 1 1 70 70 ILE HD12 H 1 0.601 0.003 . 1 . . . A 68 ILE HD12 . 18670 1 749 . 1 1 70 70 ILE HD13 H 1 0.601 0.003 . 1 . . . A 68 ILE HD13 . 18670 1 750 . 1 1 70 70 ILE CA C 13 64.303 0.057 . 1 . . . A 68 ILE CA . 18670 1 751 . 1 1 70 70 ILE CB C 13 38.719 0.045 . 1 . . . A 68 ILE CB . 18670 1 752 . 1 1 70 70 ILE CG1 C 13 28.056 0.137 . 1 . . . A 68 ILE CG1 . 18670 1 753 . 1 1 70 70 ILE CG2 C 13 17.373 0.002 . 1 . . . A 68 ILE CG2 . 18670 1 754 . 1 1 70 70 ILE CD1 C 13 14.068 0.042 . 1 . . . A 68 ILE CD1 . 18670 1 755 . 1 1 70 70 ILE N N 15 120.114 0.03 . 1 . . . A 68 ILE N . 18670 1 756 . 1 1 72 72 ASN H H 1 8.359 0 . 1 . . . A 70 ASN H . 18670 1 757 . 1 1 72 72 ASN HA H 1 4.769 0.005 . 1 . . . A 70 ASN HA . 18670 1 758 . 1 1 72 72 ASN HB2 H 1 2.827 0.002 . 2 . . . A 70 ASN HB2 . 18670 1 759 . 1 1 72 72 ASN HB3 H 1 2.951 0.001 . 2 . . . A 70 ASN HB3 . 18670 1 760 . 1 1 72 72 ASN HD21 H 1 6.898 0.002 . 1 . . . A 70 ASN HD21 . 18670 1 761 . 1 1 72 72 ASN HD22 H 1 7.621 0.001 . 1 . . . A 70 ASN HD22 . 18670 1 762 . 1 1 72 72 ASN C C 13 175.283 0 . 1 . . . A 70 ASN C . 18670 1 763 . 1 1 72 72 ASN CA C 13 53.809 0.096 . 1 . . . A 70 ASN CA . 18670 1 764 . 1 1 72 72 ASN CB C 13 39.017 0.01 . 1 . . . A 70 ASN CB . 18670 1 765 . 1 1 72 72 ASN ND2 N 15 112.336 0.024 . 1 . . . A 70 ASN ND2 . 18670 1 766 . 1 1 73 73 SER H H 1 7.845 0.004 . 1 . . . A 71 SER H . 18670 1 767 . 1 1 73 73 SER HA H 1 4.494 0 . 1 . . . A 71 SER HA . 18670 1 768 . 1 1 73 73 SER HB3 H 1 3.923 0 . 1 . . . A 71 SER HB3 . 18670 1 769 . 1 1 73 73 SER C C 13 173.499 0 . 1 . . . A 71 SER C . 18670 1 770 . 1 1 73 73 SER CA C 13 58.612 0.003 . 1 . . . A 71 SER CA . 18670 1 771 . 1 1 73 73 SER CB C 13 64.236 0.041 . 1 . . . A 71 SER CB . 18670 1 772 . 1 1 73 73 SER N N 15 115.005 0.026 . 1 . . . A 71 SER N . 18670 1 773 . 1 1 74 74 ALA H H 1 7.825 0.001 . 1 . . . A 72 ALA H . 18670 1 774 . 1 1 74 74 ALA HA H 1 4.493 0 . 1 . . . A 72 ALA HA . 18670 1 775 . 1 1 74 74 ALA HB1 H 1 1.377 0 . 1 . . . A 72 ALA HB1 . 18670 1 776 . 1 1 74 74 ALA HB2 H 1 1.377 0 . 1 . . . A 72 ALA HB2 . 18670 1 777 . 1 1 74 74 ALA HB3 H 1 1.377 0 . 1 . . . A 72 ALA HB3 . 18670 1 778 . 1 1 74 74 ALA CA C 13 54.114 0.002 . 1 . . . A 72 ALA CA . 18670 1 779 . 1 1 74 74 ALA CB C 13 20.077 0.042 . 1 . . . A 72 ALA CB . 18670 1 780 . 1 1 74 74 ALA N N 15 131.227 0.029 . 1 . . . A 72 ALA N . 18670 1 stop_ save_