data_15938 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15938 _Entry.Title ; p190-A RhoGAP FF1 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-09-02 _Entry.Accession_date 2008-09-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'p190-A RhoGAP FF1 domain from homo sapiens.' _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 Roman Bonet . . . 15938 2 Lidia Ruiz . . . 15938 3 Pau Martin-Malpartida . . . 15938 4 Maria Macias . . . 15938 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 . 'Structural and Computational Biology Programme' 'IRB Barcelona' . 15938 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'FF domain' . 15938 'p190-A RhoGAP' . 15938 'protein phosphorylation' . 15938 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15938 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 233 15938 '15N chemical shifts' 72 15938 '1H chemical shifts' 482 15938 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 4 . . 2010-06-02 2008-09-02 update BMRB 'edit assembly name' 15938 3 . . 2009-05-26 2008-09-02 update BMRB 'complete entry citation' 15938 2 . . 2009-04-30 2008-09-02 update BMRB 'updated entry citation' 15938 1 . . 2009-04-29 2008-09-02 original author 'original release' 15938 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K85 'BMRB Entry Tracking System' 15938 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15938 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19393245 _Citation.Full_citation . _Citation.Title 'NMR structural studies on human p190-A RhoGAPFF1 revealed that domain phosphorylation by the PDGF-receptor alpha requires its previous unfolding' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 389 _Citation.Journal_issue 2 _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 230 _Citation.Page_last 237 _Citation.Year 2009 _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 Roman Bonet . . . 15938 1 2 Lidia Ruiz . . . 15938 1 3 E. Aragon . . . 15938 1 4 Pau Martin-Malpartida . . . 15938 1 5 Maria Macias . J. . 15938 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15938 _Assembly.ID 1 _Assembly.Name 'p190-A RhoGAPFF1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 p190-A_RhoGAP_FF1_domain 1 $p190-A_RhoGAP_FF1_domain A . yes native no no . . . 15938 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p190-A_RhoGAP_FF1_domain _Entity.Sf_category entity _Entity.Sf_framecode p190-A_RhoGAP_FF1_domain _Entity.Entry_ID 15938 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p190-A_RhoGAP_FF1_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGSQQIATAKDKYEWLVS RIVKNHNENWLSVSRKMQAS PEYQDYVYLEGTQKAKKLFL QHIHRLKHE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The numbering of the sequence, according to the p190-A RhoGAP numbering, is 267(Ser)-331(Glu)' _Entity.Polymer_author_seq_details 'Residues 1-4 remain from the cloning after cleavage of the tag.' _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 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7857.032 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K85 . "P190-A Rhogap Ff1 Domain" . . . . . 100.00 69 100.00 100.00 1.09e-42 . . . . 15938 1 2 no DBJ BAB21813 . "KIAA1722 protein [Homo sapiens]" . . . . . 94.20 1499 100.00 100.00 4.11e-35 . . . . 15938 1 3 no DBJ BAD32520 . "mKIAA1722 protein [Mus musculus]" . . . . . 94.20 1337 98.46 98.46 7.52e-35 . . . . 15938 1 4 no DBJ BAE27848 . "unnamed protein product [Mus musculus]" . . . . . 94.20 1499 98.46 98.46 8.91e-35 . . . . 15938 1 5 no DBJ BAE28076 . "unnamed protein product [Mus musculus]" . . . . . 94.20 1499 98.46 98.46 8.91e-35 . . . . 15938 1 6 no DBJ BAE36578 . "unnamed protein product [Mus musculus]" . . . . . 94.20 1187 98.46 98.46 9.20e-35 . . . . 15938 1 7 no GB AAF80386 . "Rho GAP p190-A [Homo sapiens]" . . . . . 94.20 1514 98.46 98.46 3.34e-34 . . . . 15938 1 8 no GB AAI31566 . "GRLF1 protein [Homo sapiens]" . . . . . 94.20 749 100.00 100.00 1.05e-35 . . . . 15938 1 9 no GB AAI39460 . "Grlf1 protein [Mus musculus]" . . . . . 94.20 1499 98.46 98.46 8.91e-35 . . . . 15938 1 10 no GB AAI39462 . "Glucocorticoid receptor DNA binding factor 1 [Mus musculus]" . . . . . 94.20 1499 98.46 98.46 8.91e-35 . . . . 15938 1 11 no GB AAI50258 . "GRLF1 protein [Homo sapiens]" . . . . . 94.20 1499 100.00 100.00 4.11e-35 . . . . 15938 1 12 no REF NP_001003022 . "rho GTPase-activating protein 35 [Canis lupus familiaris]" . . . . . 94.20 1500 100.00 100.00 3.29e-35 . . . . 15938 1 13 no REF NP_001179327 . "rho GTPase-activating protein 35 [Bos taurus]" . . . . . 94.20 1500 100.00 100.00 3.29e-35 . . . . 15938 1 14 no REF NP_001258061 . "rho GTPase-activating protein 35 [Rattus norvegicus]" . . . . . 94.20 1499 98.46 100.00 2.76e-34 . . . . 15938 1 15 no REF NP_004482 . "rho GTPase-activating protein 35 [Homo sapiens]" . . . . . 94.20 1499 100.00 100.00 4.11e-35 . . . . 15938 1 16 no REF NP_766327 . "rho GTPase-activating protein 35 [Mus musculus]" . . . . . 94.20 1499 98.46 98.46 8.91e-35 . . . . 15938 1 17 no SP P81128 . "RecName: Full=Rho GTPase-activating protein 35; AltName: Full=GAP-associated protein p190; AltName: Full=Glucocorticoid recepto" . . . . . 94.20 1513 98.46 100.00 8.38e-35 . . . . 15938 1 18 no SP P83509 . "RecName: Full=Rho GTPase-activating protein 35; AltName: Full=Glucocorticoid receptor DNA-binding factor 1; AltName: Full=Rho G" . . . . . 94.20 1500 100.00 100.00 3.29e-35 . . . . 15938 1 19 no SP Q91YM2 . "RecName: Full=Rho GTPase-activating protein 35; AltName: Full=Glucocorticoid receptor DNA-binding factor 1" . . . . . 94.20 1499 98.46 98.46 8.91e-35 . . . . 15938 1 20 no SP Q9NRY4 . "RecName: Full=Rho GTPase-activating protein 35; AltName: Full=Glucocorticoid receptor DNA-binding factor 1; AltName: Full=Gluco" . . . . . 94.20 1499 100.00 100.00 4.11e-35 . . . . 15938 1 21 no TPG DAA19691 . "TPA: glucocorticoid receptor DNA binding factor 1-like [Bos taurus]" . . . . . 94.20 1500 100.00 100.00 3.29e-35 . . . . 15938 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 . GLY . 15938 1 2 . ALA . 15938 1 3 . MET . 15938 1 4 . GLY . 15938 1 5 . SER . 15938 1 6 . GLN . 15938 1 7 . GLN . 15938 1 8 . ILE . 15938 1 9 . ALA . 15938 1 10 . THR . 15938 1 11 . ALA . 15938 1 12 . LYS . 15938 1 13 . ASP . 15938 1 14 . LYS . 15938 1 15 . TYR . 15938 1 16 . GLU . 15938 1 17 . TRP . 15938 1 18 . LEU . 15938 1 19 . VAL . 15938 1 20 . SER . 15938 1 21 . ARG . 15938 1 22 . ILE . 15938 1 23 . VAL . 15938 1 24 . LYS . 15938 1 25 . ASN . 15938 1 26 . HIS . 15938 1 27 . ASN . 15938 1 28 . GLU . 15938 1 29 . ASN . 15938 1 30 . TRP . 15938 1 31 . LEU . 15938 1 32 . SER . 15938 1 33 . VAL . 15938 1 34 . SER . 15938 1 35 . ARG . 15938 1 36 . LYS . 15938 1 37 . MET . 15938 1 38 . GLN . 15938 1 39 . ALA . 15938 1 40 . SER . 15938 1 41 . PRO . 15938 1 42 . GLU . 15938 1 43 . TYR . 15938 1 44 . GLN . 15938 1 45 . ASP . 15938 1 46 . TYR . 15938 1 47 . VAL . 15938 1 48 . TYR . 15938 1 49 . LEU . 15938 1 50 . GLU . 15938 1 51 . GLY . 15938 1 52 . THR . 15938 1 53 . GLN . 15938 1 54 . LYS . 15938 1 55 . ALA . 15938 1 56 . LYS . 15938 1 57 . LYS . 15938 1 58 . LEU . 15938 1 59 . PHE . 15938 1 60 . LEU . 15938 1 61 . GLN . 15938 1 62 . HIS . 15938 1 63 . ILE . 15938 1 64 . HIS . 15938 1 65 . ARG . 15938 1 66 . LEU . 15938 1 67 . LYS . 15938 1 68 . HIS . 15938 1 69 . GLU . 15938 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15938 1 . ALA 2 2 15938 1 . MET 3 3 15938 1 . GLY 4 4 15938 1 . SER 5 5 15938 1 . GLN 6 6 15938 1 . GLN 7 7 15938 1 . ILE 8 8 15938 1 . ALA 9 9 15938 1 . THR 10 10 15938 1 . ALA 11 11 15938 1 . LYS 12 12 15938 1 . ASP 13 13 15938 1 . LYS 14 14 15938 1 . TYR 15 15 15938 1 . GLU 16 16 15938 1 . TRP 17 17 15938 1 . LEU 18 18 15938 1 . VAL 19 19 15938 1 . SER 20 20 15938 1 . ARG 21 21 15938 1 . ILE 22 22 15938 1 . VAL 23 23 15938 1 . LYS 24 24 15938 1 . ASN 25 25 15938 1 . HIS 26 26 15938 1 . ASN 27 27 15938 1 . GLU 28 28 15938 1 . ASN 29 29 15938 1 . TRP 30 30 15938 1 . LEU 31 31 15938 1 . SER 32 32 15938 1 . VAL 33 33 15938 1 . SER 34 34 15938 1 . ARG 35 35 15938 1 . LYS 36 36 15938 1 . MET 37 37 15938 1 . GLN 38 38 15938 1 . ALA 39 39 15938 1 . SER 40 40 15938 1 . PRO 41 41 15938 1 . GLU 42 42 15938 1 . TYR 43 43 15938 1 . GLN 44 44 15938 1 . ASP 45 45 15938 1 . TYR 46 46 15938 1 . VAL 47 47 15938 1 . TYR 48 48 15938 1 . LEU 49 49 15938 1 . GLU 50 50 15938 1 . GLY 51 51 15938 1 . THR 52 52 15938 1 . GLN 53 53 15938 1 . LYS 54 54 15938 1 . ALA 55 55 15938 1 . LYS 56 56 15938 1 . LYS 57 57 15938 1 . LEU 58 58 15938 1 . PHE 59 59 15938 1 . LEU 60 60 15938 1 . GLN 61 61 15938 1 . HIS 62 62 15938 1 . ILE 63 63 15938 1 . HIS 64 64 15938 1 . ARG 65 65 15938 1 . LEU 66 66 15938 1 . LYS 67 67 15938 1 . HIS 68 68 15938 1 . GLU 69 69 15938 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 15938 _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 $p190-A_RhoGAP_FF1_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15938 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 15938 _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 $p190-A_RhoGAP_FF1_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pET_trx . . . 'contains a His-tag, a thioredoxin fusion protein and a TEV cleavage-site' . . 15938 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15938 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'p190-A RhoGAP FF1 domain' 'natural abundance' . . 1 $p190-A_RhoGAP_FF1_domain . . 1 . . mM . . . . 15938 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15938 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 15938 1 4 'sodium azide' 'natural abundance' . . . . . . 0.5 . . mM . . . . 15938 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15938 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'p190-A RhoGAP FF1 domain' '[U-100% 13C; U-100% 15N]' . . 1 $p190-A_RhoGAP_FF1_domain . . 0.5 . . mM . . . . 15938 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15938 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 15938 2 4 'sodium azide' 'natural abundance' . . . . . . 0.5 . . mM . . . . 15938 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15938 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'p190-A RhoGAP FF1 domain' '[U-100% 13C; U-100% 15N]' . . 1 $p190-A_RhoGAP_FF1_domain . . 0.5 . . mM . . . . 15938 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15938 3 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 15938 3 4 'sodium azide' 'natural abundance' . . . . . . 0.5 . . mM . . . . 15938 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 15938 _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' 0.2 . M 15938 1 pH 7.2 . pH 15938 1 pressure 1 . atm 15938 1 temperature 285 . K 15938 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 15938 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15938 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15938 1 'structure solution' 15938 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15938 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15938 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15938 2 'peak picking' 15938 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15938 _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' . . 15938 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15938 3 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 15938 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 15938 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AMX . 600 . . . 15938 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 15938 _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-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15938 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15938 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15938 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15938 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15938 1 6 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15938 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15938 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15938 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 15938 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15938 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15938 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15938 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.404808636 . . . . . . . . . 15938 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 15938 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-1H NOESY' . . . 15938 1 5 '3D 1H-15N NOESY' . . . 15938 1 8 '3D 1H-13C NOESY' . . . 15938 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 3 3 MET H H 1 8.439 0.100 . 1 . . . . 3 MET HN . 15938 1 2 . 1 1 3 3 MET HA H 1 4.006 0.100 . 1 . . . . 3 MET HA . 15938 1 3 . 1 1 3 3 MET HB2 H 1 1.047 0.100 . 2 . . . . 3 MET HB2 . 15938 1 4 . 1 1 3 3 MET HG2 H 1 1.256 0.100 . 2 . . . . 3 MET HG2 . 15938 1 5 . 1 1 3 3 MET HG3 H 1 1.174 0.100 . 2 . . . . 3 MET HG3 . 15938 1 6 . 1 1 3 3 MET CA C 13 53.014 0.300 . 1 . . . . 3 MET CA . 15938 1 7 . 1 1 4 4 GLY H H 1 8.34 0.100 . 1 . . . . 4 GLY HN . 15938 1 8 . 1 1 4 4 GLY HA2 H 1 4.0605 0.100 . 2 . . . . 4 GLY HA1 . 15938 1 9 . 1 1 4 4 GLY HA3 H 1 3.795 0.100 . 2 . . . . 4 GLY HA2 . 15938 1 10 . 1 1 4 4 GLY CA C 13 42.813 0.300 . 1 . . . . 4 GLY CA . 15938 1 11 . 1 1 4 4 GLY N N 15 110.646 0.300 . 1 . . . . 4 GLY N . 15938 1 12 . 1 1 5 5 SER H H 1 8.233 0.100 . 1 . . . . 5 SER HN . 15938 1 13 . 1 1 5 5 SER HA H 1 3.956 0.100 . 1 . . . . 5 SER HA . 15938 1 14 . 1 1 5 5 SER HB2 H 1 3.909 0.100 . 2 . . . . 5 SER HB2 . 15938 1 15 . 1 1 5 5 SER CA C 13 56.025 0.300 . 1 . . . . 5 SER CA . 15938 1 16 . 1 1 5 5 SER CB C 13 60.918 0.300 . 1 . . . . 5 SER CB . 15938 1 17 . 1 1 6 6 GLN H H 1 8.338 0.100 . 1 . . . . 6 GLN HN . 15938 1 18 . 1 1 6 6 GLN HA H 1 4.0865 0.100 . 1 . . . . 6 GLN HA . 15938 1 19 . 1 1 6 6 GLN HB2 H 1 1.88 0.100 . 2 . . . . 6 GLN HB2 . 15938 1 20 . 1 1 6 6 GLN HE21 H 1 7.377 0.100 . 2 . . . . 6 GLN HE21 . 15938 1 21 . 1 1 6 6 GLN HE22 H 1 6.747 0.100 . 2 . . . . 6 GLN HE22 . 15938 1 22 . 1 1 6 6 GLN HG2 H 1 2.1475 0.100 . 2 . . . . 6 GLN HG2 . 15938 1 23 . 1 1 6 6 GLN CA C 13 54.294 0.300 . 1 . . . . 6 GLN CA . 15938 1 24 . 1 1 6 6 GLN CB C 13 25.937 0.300 . 1 . . . . 6 GLN CB . 15938 1 25 . 1 1 6 6 GLN CG C 13 30.937 0.300 . 1 . . . . 6 GLN CG . 15938 1 26 . 1 1 7 7 GLN H H 1 8.10175 0.100 . 1 . . . . 7 GLN HN . 15938 1 27 . 1 1 7 7 GLN HA H 1 4.022375 0.100 . 1 . . . . 7 GLN HA . 15938 1 28 . 1 1 7 7 GLN HB2 H 1 1.895 0.100 . 2 . . . . 7 GLN HB2 . 15938 1 29 . 1 1 7 7 GLN HE21 H 1 7.4725 0.100 . 2 . . . . 7 GLN HE21 . 15938 1 30 . 1 1 7 7 GLN HE22 H 1 6.745 0.100 . 2 . . . . 7 GLN HE22 . 15938 1 31 . 1 1 7 7 GLN HG2 H 1 2.204 0.100 . 2 . . . . 7 GLN HG2 . 15938 1 32 . 1 1 7 7 GLN HG3 H 1 2.1715 0.100 . 2 . . . . 7 GLN HG3 . 15938 1 33 . 1 1 7 7 GLN CA C 13 54.971 0.300 . 1 . . . . 7 GLN CA . 15938 1 34 . 1 1 7 7 GLN CB C 13 26.139 0.300 . 1 . . . . 7 GLN CB . 15938 1 35 . 1 1 7 7 GLN CG C 13 30.937 0.300 . 1 . . . . 7 GLN CG . 15938 1 36 . 1 1 7 7 GLN N N 15 121.077 0.300 . 1 . . . . 7 GLN N . 15938 1 37 . 1 1 7 7 GLN NE2 N 15 112.782 0.300 . 1 . . . . 7 GLN NE2 . 15938 1 38 . 1 1 8 8 ILE H H 1 7.931 0.100 . 1 . . . . 8 ILE HN . 15938 1 39 . 1 1 8 8 ILE HA H 1 3.70675 0.100 . 1 . . . . 8 ILE HA . 15938 1 40 . 1 1 8 8 ILE HB H 1 1.6485 0.100 . 1 . . . . 8 ILE HB . 15938 1 41 . 1 1 8 8 ILE HD11 H 1 0.6375 0.100 . 2 . . . . 8 ILE QD1 . 15938 1 42 . 1 1 8 8 ILE HD12 H 1 0.6375 0.100 . 2 . . . . 8 ILE QD1 . 15938 1 43 . 1 1 8 8 ILE HD13 H 1 0.6375 0.100 . 2 . . . . 8 ILE QD1 . 15938 1 44 . 1 1 8 8 ILE HG12 H 1 1.4005 0.100 . 2 . . . . 8 ILE HG12 . 15938 1 45 . 1 1 8 8 ILE HG13 H 1 0.8775 0.100 . 2 . . . . 8 ILE HG13 . 15938 1 46 . 1 1 8 8 ILE HG21 H 1 0.73375 0.100 . 2 . . . . 8 ILE QG2 . 15938 1 47 . 1 1 8 8 ILE HG22 H 1 0.73375 0.100 . 2 . . . . 8 ILE QG2 . 15938 1 48 . 1 1 8 8 ILE HG23 H 1 0.73375 0.100 . 2 . . . . 8 ILE QG2 . 15938 1 49 . 1 1 8 8 ILE CA C 13 60.313 0.300 . 1 . . . . 8 ILE CA . 15938 1 50 . 1 1 8 8 ILE CB C 13 35.549 0.300 . 1 . . . . 8 ILE CB . 15938 1 51 . 1 1 8 8 ILE CD1 C 13 10.311 0.300 . 1 . . . . 8 ILE CD1 . 15938 1 52 . 1 1 8 8 ILE CG1 C 13 26.562 0.300 . 1 . . . . 8 ILE CG1 . 15938 1 53 . 1 1 8 8 ILE CG2 C 13 14.686 0.300 . 1 . . . . 8 ILE CG2 . 15938 1 54 . 1 1 8 8 ILE N N 15 121.658 0.300 . 1 . . . . 8 ILE N . 15938 1 55 . 1 1 9 9 ALA H H 1 8.0665 0.100 . 1 . . . . 9 ALA HN . 15938 1 56 . 1 1 9 9 ALA HA H 1 4.153875 0.100 . 1 . . . . 9 ALA HA . 15938 1 57 . 1 1 9 9 ALA HB1 H 1 1.27525 0.100 . 2 . . . . 9 ALA QB . 15938 1 58 . 1 1 9 9 ALA HB2 H 1 1.27525 0.100 . 2 . . . . 9 ALA QB . 15938 1 59 . 1 1 9 9 ALA HB3 H 1 1.27525 0.100 . 2 . . . . 9 ALA QB . 15938 1 60 . 1 1 9 9 ALA CA C 13 51.5355 0.300 . 1 . . . . 9 ALA CA . 15938 1 61 . 1 1 9 9 ALA CB C 13 16.9815 0.300 . 1 . . . . 9 ALA CB . 15938 1 62 . 1 1 9 9 ALA N N 15 125.451 0.300 . 1 . . . . 9 ALA N . 15938 1 63 . 1 1 10 10 THR H H 1 8.3405 0.100 . 1 . . . . 10 THR HN . 15938 1 64 . 1 1 10 10 THR HA H 1 4.08 0.100 . 1 . . . . 10 THR HA . 15938 1 65 . 1 1 10 10 THR HB H 1 4.25175 0.100 . 1 . . . . 10 THR HB . 15938 1 66 . 1 1 10 10 THR HG21 H 1 1.158125 0.100 . 2 . . . . 10 THR QG2 . 15938 1 67 . 1 1 10 10 THR HG22 H 1 1.158125 0.100 . 2 . . . . 10 THR QG2 . 15938 1 68 . 1 1 10 10 THR HG23 H 1 1.158125 0.100 . 2 . . . . 10 THR QG2 . 15938 1 69 . 1 1 10 10 THR CA C 13 60.938 0.300 . 1 . . . . 10 THR CA . 15938 1 70 . 1 1 10 10 THR CB C 13 67.814 0.300 . 1 . . . . 10 THR CB . 15938 1 71 . 1 1 10 10 THR CG2 C 13 19.062 0.300 . 1 . . . . 10 THR CG2 . 15938 1 72 . 1 1 10 10 THR N N 15 113.598 0.300 . 1 . . . . 10 THR N . 15938 1 73 . 1 1 11 11 ALA H H 1 8.16875 0.100 . 1 . . . . 11 ALA HN . 15938 1 74 . 1 1 11 11 ALA HA H 1 3.9785 0.100 . 1 . . . . 11 ALA HA . 15938 1 75 . 1 1 11 11 ALA HB1 H 1 1.3905 0.100 . 2 . . . . 11 ALA QB . 15938 1 76 . 1 1 11 11 ALA HB2 H 1 1.3905 0.100 . 2 . . . . 11 ALA QB . 15938 1 77 . 1 1 11 11 ALA HB3 H 1 1.3905 0.100 . 2 . . . . 11 ALA QB . 15938 1 78 . 1 1 11 11 ALA CA C 13 52.638 0.300 . 1 . . . . 11 ALA CA . 15938 1 79 . 1 1 11 11 ALA CB C 13 15.450 0.300 . 1 . . . . 11 ALA CB . 15938 1 80 . 1 1 12 12 LYS H H 1 8.7415 0.100 . 1 . . . . 12 LYS HN . 15938 1 81 . 1 1 12 12 LYS HA H 1 3.43325 0.100 . 1 . . . . 12 LYS HA . 15938 1 82 . 1 1 12 12 LYS HB2 H 1 1.80025 0.100 . 2 . . . . 12 LYS HB2 . 15938 1 83 . 1 1 12 12 LYS HB3 H 1 1.732 0.100 . 2 . . . . 12 LYS HB3 . 15938 1 84 . 1 1 12 12 LYS HD2 H 1 0.772 0.100 . 2 . . . . 12 LYS HD2 . 15938 1 85 . 1 1 12 12 LYS HE2 H 1 2.7765 0.100 . 2 . . . . 12 LYS HE2 . 15938 1 86 . 1 1 12 12 LYS HE3 H 1 2.724 0.100 . 2 . . . . 12 LYS HE3 . 15938 1 87 . 1 1 12 12 LYS HG2 H 1 1.20675 0.100 . 2 . . . . 12 LYS HG2 . 15938 1 88 . 1 1 12 12 LYS HG3 H 1 1.02075 0.100 . 2 . . . . 12 LYS HG3 . 15938 1 89 . 1 1 12 12 LYS CA C 13 57.832 0.300 . 1 . . . . 12 LYS CA . 15938 1 90 . 1 1 12 12 LYS CB C 13 29.978 0.300 . 1 . . . . 12 LYS CB . 15938 1 91 . 1 1 12 12 LYS CE C 13 39.062 0.300 . 1 . . . . 12 LYS CE . 15938 1 92 . 1 1 12 12 LYS CG C 13 22.187 0.300 . 1 . . . . 12 LYS CG . 15938 1 93 . 1 1 12 12 LYS N N 15 121.423 0.300 . 1 . . . . 12 LYS N . 15938 1 94 . 1 1 13 13 ASP H H 1 7.6885 0.100 . 1 . . . . 13 ASP HN . 15938 1 95 . 1 1 13 13 ASP HA H 1 4.026 0.100 . 1 . . . . 13 ASP HA . 15938 1 96 . 1 1 13 13 ASP HB2 H 1 2.57575 0.100 . 2 . . . . 13 ASP HB2 . 15938 1 97 . 1 1 13 13 ASP HB3 H 1 2.214375 0.100 . 2 . . . . 13 ASP HB3 . 15938 1 98 . 1 1 13 13 ASP CA C 13 54.896 0.300 . 1 . . . . 13 ASP CA . 15938 1 99 . 1 1 13 13 ASP CB C 13 37.9035 0.300 . 1 . . . . 13 ASP CB . 15938 1 100 . 1 1 13 13 ASP N N 15 119.535 0.300 . 1 . . . . 13 ASP N . 15938 1 101 . 1 1 14 14 LYS H H 1 7.8055 0.100 . 1 . . . . 14 LYS HN . 15938 1 102 . 1 1 14 14 LYS HA H 1 3.803 0.100 . 1 . . . . 14 LYS HA . 15938 1 103 . 1 1 14 14 LYS HB2 H 1 1.67175 0.100 . 2 . . . . 14 LYS HB2 . 15938 1 104 . 1 1 14 14 LYS HG2 H 1 1.29875 0.100 . 2 . . . . 14 LYS HG2 . 15938 1 105 . 1 1 14 14 LYS CA C 13 56.563 0.300 . 1 . . . . 14 LYS CA . 15938 1 106 . 1 1 14 14 LYS N N 15 117.395 0.300 . 1 . . . . 14 LYS N . 15938 1 107 . 1 1 15 15 TYR H H 1 7.8675 0.100 . 1 . . . . 15 TYR HN . 15938 1 108 . 1 1 15 15 TYR HA H 1 4.0385 0.100 . 1 . . . . 15 TYR HA . 15938 1 109 . 1 1 15 15 TYR HB2 H 1 2.842 0.100 . 2 . . . . 15 TYR HB2 . 15938 1 110 . 1 1 15 15 TYR HB3 H 1 2.44175 0.100 . 2 . . . . 15 TYR HB3 . 15938 1 111 . 1 1 15 15 TYR HD1 H 1 6.44575 0.100 . 3 . . . . 15 TYR QD . 15938 1 112 . 1 1 15 15 TYR HD2 H 1 6.44575 0.100 . 3 . . . . 15 TYR QD . 15938 1 113 . 1 1 15 15 TYR HE1 H 1 6.792 0.100 . 3 . . . . 15 TYR QE . 15938 1 114 . 1 1 15 15 TYR HE2 H 1 6.792 0.100 . 3 . . . . 15 TYR QE . 15938 1 115 . 1 1 15 15 TYR CA C 13 58.284 0.300 . 1 . . . . 15 TYR CA . 15938 1 116 . 1 1 15 15 TYR CB C 13 35.361 0.300 . 1 . . . . 15 TYR CB . 15938 1 117 . 1 1 15 15 TYR CD2 C 13 129.400 0.300 . 1 . . . . 15 TYR CD2 . 15938 1 118 . 1 1 15 15 TYR CE2 C 13 115.378 0.300 . 1 . . . . 15 TYR CE2 . 15938 1 119 . 1 1 15 15 TYR N N 15 120.763 0.300 . 1 . . . . 15 TYR N . 15938 1 120 . 1 1 16 16 GLU H H 1 8.575 0.100 . 1 . . . . 16 GLU HN . 15938 1 121 . 1 1 16 16 GLU HA H 1 3.1775 0.100 . 1 . . . . 16 GLU HA . 15938 1 122 . 1 1 16 16 GLU HB2 H 1 1.912 0.100 . 2 . . . . 16 GLU HB2 . 15938 1 123 . 1 1 16 16 GLU HB3 H 1 1.733 0.100 . 2 . . . . 16 GLU HB3 . 15938 1 124 . 1 1 16 16 GLU HG2 H 1 2.3305 0.100 . 2 . . . . 16 GLU HG2 . 15938 1 125 . 1 1 16 16 GLU HG3 H 1 1.74475 0.100 . 2 . . . . 16 GLU HG3 . 15938 1 126 . 1 1 16 16 GLU CA C 13 58.622 0.300 . 1 . . . . 16 GLU CA . 15938 1 127 . 1 1 16 16 GLU CB C 13 26.562 0.300 . 1 . . . . 16 GLU CB . 15938 1 128 . 1 1 16 16 GLU CG C 13 36.562 0.300 . 1 . . . . 16 GLU CG . 15938 1 129 . 1 1 16 16 GLU N N 15 119.244 0.300 . 1 . . . . 16 GLU N . 15938 1 130 . 1 1 17 17 TRP H H 1 8.08175 0.100 . 1 . . . . 17 TRP HN . 15938 1 131 . 1 1 17 17 TRP HA H 1 4.12375 0.100 . 1 . . . . 17 TRP HA . 15938 1 132 . 1 1 17 17 TRP HB2 H 1 3.2835 0.100 . 2 . . . . 17 TRP HB2 . 15938 1 133 . 1 1 17 17 TRP HB3 H 1 3.12275 0.100 . 2 . . . . 17 TRP HB3 . 15938 1 134 . 1 1 17 17 TRP HD1 H 1 7.03225 0.100 . 1 . . . . 17 TRP HD1 . 15938 1 135 . 1 1 17 17 TRP HE1 H 1 9.922 0.100 . 1 . . . . 17 TRP HE1 . 15938 1 136 . 1 1 17 17 TRP HE3 H 1 7.459 0.100 . 1 . . . . 17 TRP HE3 . 15938 1 137 . 1 1 17 17 TRP HH2 H 1 6.96675 0.100 . 1 . . . . 17 TRP HH2 . 15938 1 138 . 1 1 17 17 TRP HZ2 H 1 7.2165 0.100 . 1 . . . . 17 TRP HZ2 . 15938 1 139 . 1 1 17 17 TRP HZ3 H 1 6.877 0.100 . 1 . . . . 17 TRP HZ3 . 15938 1 140 . 1 1 17 17 TRP CA C 13 57.229 0.300 . 1 . . . . 17 TRP CA . 15938 1 141 . 1 1 17 17 TRP CB C 13 25.612 0.300 . 1 . . . . 17 TRP CB . 15938 1 142 . 1 1 17 17 TRP CD1 C 13 123.668 0.300 . 1 . . . . 17 TRP CD1 . 15938 1 143 . 1 1 17 17 TRP CE3 C 13 117.681 0.300 . 1 . . . . 17 TRP CE3 . 15938 1 144 . 1 1 17 17 TRP CH2 C 13 121.519 0.300 . 1 . . . . 17 TRP CH2 . 15938 1 145 . 1 1 17 17 TRP CZ2 C 13 111.027 0.300 . 1 . . . . 17 TRP CZ2 . 15938 1 146 . 1 1 17 17 TRP CZ3 C 13 118.807 0.300 . 1 . . . . 17 TRP CZ3 . 15938 1 147 . 1 1 17 17 TRP N N 15 120.589 0.300 . 1 . . . . 17 TRP N . 15938 1 148 . 1 1 17 17 TRP NE1 N 15 129.314 0.300 . 1 . . . . 17 TRP NE1 . 15938 1 149 . 1 1 18 18 LEU H H 1 7.6185 0.100 . 1 . . . . 18 LEU HN . 15938 1 150 . 1 1 18 18 LEU HA H 1 3.55325 0.100 . 1 . . . . 18 LEU HA . 15938 1 151 . 1 1 18 18 LEU HB2 H 1 2.09525 0.100 . 2 . . . . 18 LEU HB2 . 15938 1 152 . 1 1 18 18 LEU HB3 H 1 1.35275 0.100 . 2 . . . . 18 LEU HB3 . 15938 1 153 . 1 1 18 18 LEU HD11 H 1 1.055 0.100 . 2 . . . . 18 LEU QD1 . 15938 1 154 . 1 1 18 18 LEU HD12 H 1 1.055 0.100 . 2 . . . . 18 LEU QD1 . 15938 1 155 . 1 1 18 18 LEU HD13 H 1 1.055 0.100 . 2 . . . . 18 LEU QD1 . 15938 1 156 . 1 1 18 18 LEU HD21 H 1 0.787 0.100 . 2 . . . . 18 LEU QD2 . 15938 1 157 . 1 1 18 18 LEU HD22 H 1 0.787 0.100 . 2 . . . . 18 LEU QD2 . 15938 1 158 . 1 1 18 18 LEU HD23 H 1 0.787 0.100 . 2 . . . . 18 LEU QD2 . 15938 1 159 . 1 1 18 18 LEU HG H 1 1.07825 0.100 . 1 . . . . 18 LEU HG . 15938 1 160 . 1 1 18 18 LEU CA C 13 55.837 0.300 . 1 . . . . 18 LEU CA . 15938 1 161 . 1 1 18 18 LEU CB C 13 38.786 0.300 . 1 . . . . 18 LEU CB . 15938 1 162 . 1 1 18 18 LEU CD1 C 13 20.937 0.300 . 2 . . . . 18 LEU CD1 . 15938 1 163 . 1 1 18 18 LEU CD2 C 13 20.937 0.300 . 2 . . . . 18 LEU CD2 . 15938 1 164 . 1 1 18 18 LEU CG C 13 25.937 0.300 . 1 . . . . 18 LEU CG . 15938 1 165 . 1 1 18 18 LEU N N 15 122.925 0.300 . 1 . . . . 18 LEU N . 15938 1 166 . 1 1 19 19 VAL H H 1 8.06925 0.100 . 1 . . . . 19 VAL HN . 15938 1 167 . 1 1 19 19 VAL HA H 1 3.05975 0.100 . 1 . . . . 19 VAL HA . 15938 1 168 . 1 1 19 19 VAL HB H 1 1.46125 0.100 . 1 . . . . 19 VAL HB . 15938 1 169 . 1 1 19 19 VAL HG11 H 1 0.3265 0.100 . 2 . . . . 19 VAL QG1 . 15938 1 170 . 1 1 19 19 VAL HG12 H 1 0.3265 0.100 . 2 . . . . 19 VAL QG1 . 15938 1 171 . 1 1 19 19 VAL HG13 H 1 0.3265 0.100 . 2 . . . . 19 VAL QG1 . 15938 1 172 . 1 1 19 19 VAL HG21 H 1 0.5755 0.100 . 2 . . . . 19 VAL QG2 . 15938 1 173 . 1 1 19 19 VAL HG22 H 1 0.5755 0.100 . 2 . . . . 19 VAL QG2 . 15938 1 174 . 1 1 19 19 VAL HG23 H 1 0.5755 0.100 . 2 . . . . 19 VAL QG2 . 15938 1 175 . 1 1 19 19 VAL CA C 13 64.268 0.300 . 1 . . . . 19 VAL CA . 15938 1 176 . 1 1 19 19 VAL CB C 13 28.849 0.300 . 1 . . . . 19 VAL CB . 15938 1 177 . 1 1 19 19 VAL CG1 C 13 20.937 0.300 . 2 . . . . 19 VAL CG1 . 15938 1 178 . 1 1 19 19 VAL CG2 C 13 19.062 0.300 . 2 . . . . 19 VAL CG2 . 15938 1 179 . 1 1 19 19 VAL N N 15 118.738 0.300 . 1 . . . . 19 VAL N . 15938 1 180 . 1 1 20 20 SER H H 1 7.3795 0.100 . 1 . . . . 20 SER HN . 15938 1 181 . 1 1 20 20 SER HA H 1 3.56875 0.100 . 1 . . . . 20 SER HA . 15938 1 182 . 1 1 20 20 SER HB2 H 1 3.642 0.100 . 2 . . . . 20 SER HB2 . 15938 1 183 . 1 1 20 20 SER HB3 H 1 3.5025 0.100 . 2 . . . . 20 SER HB3 . 15938 1 184 . 1 1 20 20 SER CA C 13 59.063 0.300 . 1 . . . . 20 SER CA . 15938 1 185 . 1 1 20 20 SER CB C 13 60.354 0.300 . 1 . . . . 20 SER CB . 15938 1 186 . 1 1 20 20 SER N N 15 111.215 0.300 . 1 . . . . 20 SER N . 15938 1 187 . 1 1 21 21 ARG H H 1 7.2905 0.100 . 1 . . . . 21 ARG HN . 15938 1 188 . 1 1 21 21 ARG HA H 1 3.85975 0.100 . 1 . . . . 21 ARG HA . 15938 1 189 . 1 1 21 21 ARG HB2 H 1 1.46325 0.100 . 2 . . . . 21 ARG HB2 . 15938 1 190 . 1 1 21 21 ARG HB3 H 1 1.4325 0.100 . 2 . . . . 21 ARG HB3 . 15938 1 191 . 1 1 21 21 ARG HD2 H 1 2.54625 0.100 . 2 . . . . 21 ARG HD2 . 15938 1 192 . 1 1 21 21 ARG HD3 H 1 2.4315 0.100 . 2 . . . . 21 ARG HD3 . 15938 1 193 . 1 1 21 21 ARG HG2 H 1 1.10425 0.100 . 2 . . . . 21 ARG HG2 . 15938 1 194 . 1 1 21 21 ARG HG3 H 1 1.056 0.100 . 2 . . . . 21 ARG HG3 . 15938 1 195 . 1 1 21 21 ARG CA C 13 55.197 0.300 . 1 . . . . 21 ARG CA . 15938 1 196 . 1 1 21 21 ARG CB C 13 28.021 0.300 . 1 . . . . 21 ARG CB . 15938 1 197 . 1 1 21 21 ARG CD C 13 40.313 0.300 . 1 . . . . 21 ARG CD . 15938 1 198 . 1 1 21 21 ARG CG C 13 24.687 0.300 . 1 . . . . 21 ARG CG . 15938 1 199 . 1 1 21 21 ARG N N 15 119.898 0.300 . 1 . . . . 21 ARG N . 15938 1 200 . 1 1 22 22 ILE H H 1 7.695 0.100 . 1 . . . . 22 ILE HN . 15938 1 201 . 1 1 22 22 ILE HA H 1 3.9 0.100 . 1 . . . . 22 ILE HA . 15938 1 202 . 1 1 22 22 ILE HB H 1 1.6585 0.100 . 1 . . . . 22 ILE HB . 15938 1 203 . 1 1 22 22 ILE HD11 H 1 0.47425 0.100 . 2 . . . . 22 ILE QD1 . 15938 1 204 . 1 1 22 22 ILE HD12 H 1 0.47425 0.100 . 2 . . . . 22 ILE QD1 . 15938 1 205 . 1 1 22 22 ILE HD13 H 1 0.47425 0.100 . 2 . . . . 22 ILE QD1 . 15938 1 206 . 1 1 22 22 ILE HG12 H 1 1.211 0.100 . 2 . . . . 22 ILE HG12 . 15938 1 207 . 1 1 22 22 ILE HG13 H 1 1.137 0.100 . 2 . . . . 22 ILE HG13 . 15938 1 208 . 1 1 22 22 ILE HG21 H 1 0.6785 0.100 . 2 . . . . 22 ILE QG2 . 15938 1 209 . 1 1 22 22 ILE HG22 H 1 0.6785 0.100 . 2 . . . . 22 ILE QG2 . 15938 1 210 . 1 1 22 22 ILE HG23 H 1 0.6785 0.100 . 2 . . . . 22 ILE QG2 . 15938 1 211 . 1 1 22 22 ILE CA C 13 59.337 0.300 . 1 . . . . 22 ILE CA . 15938 1 212 . 1 1 22 22 ILE CB C 13 36.562 0.300 . 1 . . . . 22 ILE CB . 15938 1 213 . 1 1 22 22 ILE CD1 C 13 9.686 0.300 . 1 . . . . 22 ILE CD1 . 15938 1 214 . 1 1 22 22 ILE CG1 C 13 25.312 0.300 . 1 . . . . 22 ILE CG1 . 15938 1 215 . 1 1 22 22 ILE CG2 C 13 15.312 0.300 . 1 . . . . 22 ILE CG2 . 15938 1 216 . 1 1 22 22 ILE N N 15 116.745 0.300 . 1 . . . . 22 ILE N . 15938 1 217 . 1 1 23 23 VAL H H 1 7.969 0.100 . 1 . . . . 23 VAL HN . 15938 1 218 . 1 1 23 23 VAL HA H 1 3.88725 0.100 . 1 . . . . 23 VAL HA . 15938 1 219 . 1 1 23 23 VAL HB H 1 2.09675 0.100 . 1 . . . . 23 VAL HB . 15938 1 220 . 1 1 23 23 VAL HG11 H 1 1.09125 0.100 . 2 . . . . 23 VAL QG1 . 15938 1 221 . 1 1 23 23 VAL HG12 H 1 1.09125 0.100 . 2 . . . . 23 VAL QG1 . 15938 1 222 . 1 1 23 23 VAL HG13 H 1 1.09125 0.100 . 2 . . . . 23 VAL QG1 . 15938 1 223 . 1 1 23 23 VAL HG21 H 1 0.806125 0.100 . 2 . . . . 23 VAL QG2 . 15938 1 224 . 1 1 23 23 VAL HG22 H 1 0.806125 0.100 . 2 . . . . 23 VAL QG2 . 15938 1 225 . 1 1 23 23 VAL HG23 H 1 0.806125 0.100 . 2 . . . . 23 VAL QG2 . 15938 1 226 . 1 1 23 23 VAL CA C 13 60.956 0.300 . 1 . . . . 23 VAL CA . 15938 1 227 . 1 1 23 23 VAL CB C 13 28.307 0.300 . 1 . . . . 23 VAL CB . 15938 1 228 . 1 1 23 23 VAL CG1 C 13 20.937 0.300 . 2 . . . . 23 VAL CG1 . 15938 1 229 . 1 1 23 23 VAL CG2 C 13 19.687 0.300 . 2 . . . . 23 VAL CG2 . 15938 1 230 . 1 1 23 23 VAL N N 15 122.152 0.300 . 1 . . . . 23 VAL N . 15938 1 231 . 1 1 24 24 LYS H H 1 9.0065 0.100 . 1 . . . . 24 LYS HN . 15938 1 232 . 1 1 24 24 LYS HA H 1 4.285125 0.100 . 1 . . . . 24 LYS HA . 15938 1 233 . 1 1 24 24 LYS HB2 H 1 1.7085 0.100 . 2 . . . . 24 LYS HB2 . 15938 1 234 . 1 1 24 24 LYS HB3 H 1 1.5415 0.100 . 2 . . . . 24 LYS HB3 . 15938 1 235 . 1 1 24 24 LYS HD2 H 1 1.4295 0.100 . 2 . . . . 24 LYS HD2 . 15938 1 236 . 1 1 24 24 LYS HE2 H 1 2.794 0.100 . 2 . . . . 24 LYS HE2 . 15938 1 237 . 1 1 24 24 LYS HG2 H 1 1.25125 0.100 . 2 . . . . 24 LYS HG2 . 15938 1 238 . 1 1 24 24 LYS HG3 H 1 1.1465 0.100 . 2 . . . . 24 LYS HG3 . 15938 1 239 . 1 1 24 24 LYS CA C 13 52.838 0.300 . 1 . . . . 24 LYS CA . 15938 1 240 . 1 1 24 24 LYS CB C 13 30.937 0.300 . 1 . . . . 24 LYS CB . 15938 1 241 . 1 1 24 24 LYS CD C 13 25.312 0.300 . 1 . . . . 24 LYS CD . 15938 1 242 . 1 1 24 24 LYS CE C 13 39.062 0.300 . 1 . . . . 24 LYS CE . 15938 1 243 . 1 1 24 24 LYS CG C 13 21.562 0.300 . 1 . . . . 24 LYS CG . 15938 1 244 . 1 1 24 24 LYS N N 15 127.138 0.300 . 1 . . . . 24 LYS N . 15938 1 245 . 1 1 25 25 ASN H H 1 7.9355 0.100 . 1 . . . . 25 ASN HN . 15938 1 246 . 1 1 25 25 ASN HA H 1 4.72675 0.100 . 1 . . . . 25 ASN HA . 15938 1 247 . 1 1 25 25 ASN HB2 H 1 2.678875 0.100 . 2 . . . . 25 ASN HB2 . 15938 1 248 . 1 1 25 25 ASN HB3 H 1 2.514375 0.100 . 2 . . . . 25 ASN HB3 . 15938 1 249 . 1 1 25 25 ASN HD21 H 1 7.529 0.100 . 2 . . . . 25 ASN HD21 . 15938 1 250 . 1 1 25 25 ASN HD22 H 1 6.735 0.100 . 2 . . . . 25 ASN HD22 . 15938 1 251 . 1 1 25 25 ASN CA C 13 49.688 0.300 . 1 . . . . 25 ASN CA . 15938 1 252 . 1 1 25 25 ASN CB C 13 38.574 0.300 . 1 . . . . 25 ASN CB . 15938 1 253 . 1 1 25 25 ASN N N 15 116.900 0.300 . 1 . . . . 25 ASN N . 15938 1 254 . 1 1 25 25 ASN ND2 N 15 114.534 0.300 . 1 . . . . 25 ASN ND2 . 15938 1 255 . 1 1 26 26 HIS H H 1 8.03525 0.100 . 1 . . . . 26 HIS HN . 15938 1 256 . 1 1 26 26 HIS HA H 1 4.096125 0.100 . 1 . . . . 26 HIS HA . 15938 1 257 . 1 1 26 26 HIS HB2 H 1 3.06675 0.100 . 2 . . . . 26 HIS HB2 . 15938 1 258 . 1 1 26 26 HIS HB3 H 1 2.5905 0.100 . 2 . . . . 26 HIS HB3 . 15938 1 259 . 1 1 26 26 HIS HD1 H 1 6.6845 0.100 . 1 . . . . 26 HIS HD1 . 15938 1 260 . 1 1 26 26 HIS HD2 H 1 6.693 0.100 . 1 . . . . 26 HIS HD2 . 15938 1 261 . 1 1 26 26 HIS HE1 H 1 7.4695 0.100 . 1 . . . . 26 HIS HE1 . 15938 1 262 . 1 1 26 26 HIS CA C 13 54.7545 0.300 . 1 . . . . 26 HIS CA . 15938 1 263 . 1 1 26 26 HIS CB C 13 27.8325 0.300 . 1 . . . . 26 HIS CB . 15938 1 264 . 1 1 26 26 HIS CD2 C 13 116.043 0.300 . 1 . . . . 26 HIS CD2 . 15938 1 265 . 1 1 26 26 HIS CE1 C 13 135.030 0.300 . 1 . . . . 26 HIS CE1 . 15938 1 266 . 1 1 26 26 HIS N N 15 117.740 0.300 . 1 . . . . 26 HIS N . 15938 1 267 . 1 1 27 27 ASN H H 1 7.9495 0.100 . 1 . . . . 27 ASN HN . 15938 1 268 . 1 1 27 27 ASN HA H 1 4.5365 0.100 . 1 . . . . 27 ASN HA . 15938 1 269 . 1 1 27 27 ASN HB2 H 1 2.50225 0.100 . 2 . . . . 27 ASN HB2 . 15938 1 270 . 1 1 27 27 ASN HB3 H 1 2.41 0.100 . 2 . . . . 27 ASN HB3 . 15938 1 271 . 1 1 27 27 ASN HD21 H 1 7.2275 0.100 . 2 . . . . 27 ASN HD21 . 15938 1 272 . 1 1 27 27 ASN HD22 H 1 6.5295 0.100 . 2 . . . . 27 ASN HD22 . 15938 1 273 . 1 1 27 27 ASN CA C 13 50.304 0.300 . 1 . . . . 27 ASN CA . 15938 1 274 . 1 1 27 27 ASN CB C 13 35.850 0.300 . 1 . . . . 27 ASN CB . 15938 1 275 . 1 1 27 27 ASN N N 15 117.497 0.300 . 1 . . . . 27 ASN N . 15938 1 276 . 1 1 27 27 ASN ND2 N 15 113.049 0.300 . 1 . . . . 27 ASN ND2 . 15938 1 277 . 1 1 28 28 GLU H H 1 7.02 0.100 . 1 . . . . 28 GLU HN . 15938 1 278 . 1 1 28 28 GLU HA H 1 4.171 0.100 . 1 . . . . 28 GLU HA . 15938 1 279 . 1 1 28 28 GLU HB2 H 1 1.986 0.100 . 2 . . . . 28 GLU HB2 . 15938 1 280 . 1 1 28 28 GLU HB3 H 1 1.811 0.100 . 2 . . . . 28 GLU HB3 . 15938 1 281 . 1 1 28 28 GLU HG2 H 1 2.37125 0.100 . 2 . . . . 28 GLU HG2 . 15938 1 282 . 1 1 28 28 GLU HG3 H 1 2.137 0.100 . 2 . . . . 28 GLU HG3 . 15938 1 283 . 1 1 28 28 GLU CA C 13 54.971 0.300 . 1 . . . . 28 GLU CA . 15938 1 284 . 1 1 28 28 GLU CB C 13 28.398 0.300 . 1 . . . . 28 GLU CB . 15938 1 285 . 1 1 28 28 GLU CG C 13 34.687 0.300 . 1 . . . . 28 GLU CG . 15938 1 286 . 1 1 28 28 GLU N N 15 120.910 0.300 . 1 . . . . 28 GLU N . 15938 1 287 . 1 1 29 29 ASN H H 1 8.539 0.100 . 1 . . . . 29 ASN HN . 15938 1 288 . 1 1 29 29 ASN HA H 1 5.054875 0.100 . 1 . . . . 29 ASN HA . 15938 1 289 . 1 1 29 29 ASN HB2 H 1 3.04325 0.100 . 2 . . . . 29 ASN HB2 . 15938 1 290 . 1 1 29 29 ASN HB3 H 1 2.751875 0.100 . 2 . . . . 29 ASN HB3 . 15938 1 291 . 1 1 29 29 ASN HD21 H 1 7.7585 0.100 . 2 . . . . 29 ASN HD21 . 15938 1 292 . 1 1 29 29 ASN HD22 H 1 6.776 0.100 . 2 . . . . 29 ASN HD22 . 15938 1 293 . 1 1 29 29 ASN CA C 13 49.375 0.300 . 1 . . . . 29 ASN CA . 15938 1 294 . 1 1 29 29 ASN CB C 13 38.824 0.300 . 1 . . . . 29 ASN CB . 15938 1 295 . 1 1 29 29 ASN N N 15 118.857 0.300 . 1 . . . . 29 ASN N . 15938 1 296 . 1 1 29 29 ASN ND2 N 15 115.004 0.300 . 1 . . . . 29 ASN ND2 . 15938 1 297 . 1 1 30 30 TRP H H 1 9.2185 0.100 . 1 . . . . 30 TRP HN . 15938 1 298 . 1 1 30 30 TRP HA H 1 3.63675 0.100 . 1 . . . . 30 TRP HA . 15938 1 299 . 1 1 30 30 TRP HB2 H 1 3.18025 0.100 . 2 . . . . 30 TRP HB2 . 15938 1 300 . 1 1 30 30 TRP HB3 H 1 2.96425 0.100 . 2 . . . . 30 TRP HB3 . 15938 1 301 . 1 1 30 30 TRP HD1 H 1 6.98875 0.100 . 1 . . . . 30 TRP HD1 . 15938 1 302 . 1 1 30 30 TRP HE1 H 1 9.9725 0.100 . 1 . . . . 30 TRP HE1 . 15938 1 303 . 1 1 30 30 TRP HE3 H 1 6.1895 0.100 . 1 . . . . 30 TRP HE3 . 15938 1 304 . 1 1 30 30 TRP HH2 H 1 7.021 0.100 . 1 . . . . 30 TRP HH2 . 15938 1 305 . 1 1 30 30 TRP HZ2 H 1 7.23125 0.100 . 1 . . . . 30 TRP HZ2 . 15938 1 306 . 1 1 30 30 TRP HZ3 H 1 6.5695 0.100 . 1 . . . . 30 TRP HZ3 . 15938 1 307 . 1 1 30 30 TRP CA C 13 55.988 0.300 . 1 . . . . 30 TRP CA . 15938 1 308 . 1 1 30 30 TRP CB C 13 27.757 0.300 . 1 . . . . 30 TRP CB . 15938 1 309 . 1 1 30 30 TRP CD1 C 13 123.924 0.300 . 1 . . . . 30 TRP CD1 . 15938 1 310 . 1 1 30 30 TRP CE3 C 13 113.872 0.300 . 1 . . . . 30 TRP CE3 . 15938 1 311 . 1 1 30 30 TRP CH2 C 13 121.417 0.300 . 1 . . . . 30 TRP CH2 . 15938 1 312 . 1 1 30 30 TRP CZ2 C 13 111.744 0.300 . 1 . . . . 30 TRP CZ2 . 15938 1 313 . 1 1 30 30 TRP CZ3 C 13 118.667 0.300 . 1 . . . . 30 TRP CZ3 . 15938 1 314 . 1 1 30 30 TRP N N 15 122.308 0.300 . 1 . . . . 30 TRP N . 15938 1 315 . 1 1 30 30 TRP NE1 N 15 128.319 0.300 . 1 . . . . 30 TRP NE1 . 15938 1 316 . 1 1 31 31 LEU H H 1 8.3285 0.100 . 1 . . . . 31 LEU HN . 15938 1 317 . 1 1 31 31 LEU HA H 1 3.30175 0.100 . 1 . . . . 31 LEU HA . 15938 1 318 . 1 1 31 31 LEU HB2 H 1 1.4665 0.100 . 2 . . . . 31 LEU HB2 . 15938 1 319 . 1 1 31 31 LEU HB3 H 1 1.306 0.100 . 2 . . . . 31 LEU HB3 . 15938 1 320 . 1 1 31 31 LEU HD11 H 1 0.70025 0.100 . 2 . . . . 31 LEU QD1 . 15938 1 321 . 1 1 31 31 LEU HD12 H 1 0.70025 0.100 . 2 . . . . 31 LEU QD1 . 15938 1 322 . 1 1 31 31 LEU HD13 H 1 0.70025 0.100 . 2 . . . . 31 LEU QD1 . 15938 1 323 . 1 1 31 31 LEU HD21 H 1 0.6535 0.100 . 2 . . . . 31 LEU QD2 . 15938 1 324 . 1 1 31 31 LEU HD22 H 1 0.6535 0.100 . 2 . . . . 31 LEU QD2 . 15938 1 325 . 1 1 31 31 LEU HD23 H 1 0.6535 0.100 . 2 . . . . 31 LEU QD2 . 15938 1 326 . 1 1 31 31 LEU HG H 1 1.493 0.100 . 1 . . . . 31 LEU HG . 15938 1 327 . 1 1 31 31 LEU CA C 13 55.874 0.300 . 1 . . . . 31 LEU CA . 15938 1 328 . 1 1 31 31 LEU CB C 13 38.372 0.300 . 1 . . . . 31 LEU CB . 15938 1 329 . 1 1 31 31 LEU CD1 C 13 22.187 0.300 . 2 . . . . 31 LEU CD1 . 15938 1 330 . 1 1 31 31 LEU CD2 C 13 22.187 0.300 . 2 . . . . 31 LEU CD2 . 15938 1 331 . 1 1 31 31 LEU CG C 13 24.062 0.300 . 1 . . . . 31 LEU CG . 15938 1 332 . 1 1 31 31 LEU N N 15 120.479 0.300 . 1 . . . . 31 LEU N . 15938 1 333 . 1 1 32 32 SER H H 1 7.5205 0.100 . 1 . . . . 32 SER HN . 15938 1 334 . 1 1 32 32 SER HA H 1 3.8935 0.100 . 1 . . . . 32 SER HA . 15938 1 335 . 1 1 32 32 SER HB2 H 1 3.75125 0.100 . 2 . . . . 32 SER HB2 . 15938 1 336 . 1 1 32 32 SER HB3 H 1 3.714 0.100 . 2 . . . . 32 SER HB3 . 15938 1 337 . 1 1 32 32 SER CA C 13 58.245 0.300 . 1 . . . . 32 SER CA . 15938 1 338 . 1 1 32 32 SER CB C 13 60.316 0.300 . 1 . . . . 32 SER CB . 15938 1 339 . 1 1 32 32 SER N N 15 112.204 0.300 . 1 . . . . 32 SER N . 15938 1 340 . 1 1 33 33 VAL H H 1 7.8735 0.100 . 1 . . . . 33 VAL HN . 15938 1 341 . 1 1 33 33 VAL HA H 1 3.293 0.100 . 1 . . . . 33 VAL HA . 15938 1 342 . 1 1 33 33 VAL HB H 1 1.36525 0.100 . 1 . . . . 33 VAL HB . 15938 1 343 . 1 1 33 33 VAL HG11 H 1 0.8485 0.100 . 2 . . . . 33 VAL QG1 . 15938 1 344 . 1 1 33 33 VAL HG12 H 1 0.8485 0.100 . 2 . . . . 33 VAL QG1 . 15938 1 345 . 1 1 33 33 VAL HG13 H 1 0.8485 0.100 . 2 . . . . 33 VAL QG1 . 15938 1 346 . 1 1 33 33 VAL HG21 H 1 0.6015 0.100 . 2 . . . . 33 VAL QG2 . 15938 1 347 . 1 1 33 33 VAL HG22 H 1 0.6015 0.100 . 2 . . . . 33 VAL QG2 . 15938 1 348 . 1 1 33 33 VAL HG23 H 1 0.6015 0.100 . 2 . . . . 33 VAL QG2 . 15938 1 349 . 1 1 33 33 VAL CA C 13 63.629 0.300 . 1 . . . . 33 VAL CA . 15938 1 350 . 1 1 33 33 VAL CB C 13 29.000 0.300 . 1 . . . . 33 VAL CB . 15938 1 351 . 1 1 33 33 VAL CG1 C 13 20.937 0.300 . 2 . . . . 33 VAL CG1 . 15938 1 352 . 1 1 33 33 VAL CG2 C 13 18.437 0.300 . 2 . . . . 33 VAL CG2 . 15938 1 353 . 1 1 33 33 VAL N N 15 121.321 0.300 . 1 . . . . 33 VAL N . 15938 1 354 . 1 1 34 34 SER H H 1 8.2135 0.100 . 1 . . . . 34 SER HN . 15938 1 355 . 1 1 34 34 SER HA H 1 2.77725 0.100 . 1 . . . . 34 SER HA . 15938 1 356 . 1 1 34 34 SER HB2 H 1 2.469 0.100 . 2 . . . . 34 SER HB2 . 15938 1 357 . 1 1 34 34 SER HB3 H 1 1.554 0.100 . 2 . . . . 34 SER HB3 . 15938 1 358 . 1 1 34 34 SER CA C 13 59.063 0.300 . 1 . . . . 34 SER CA . 15938 1 359 . 1 1 34 34 SER CB C 13 58.438 0.300 . 1 . . . . 34 SER CB . 15938 1 360 . 1 1 34 34 SER N N 15 116.084 0.300 . 1 . . . . 34 SER N . 15938 1 361 . 1 1 35 35 ARG H H 1 6.651 0.100 . 1 . . . . 35 ARG HN . 15938 1 362 . 1 1 35 35 ARG HA H 1 3.64925 0.100 . 1 . . . . 35 ARG HA . 15938 1 363 . 1 1 35 35 ARG HB2 H 1 1.5965 0.100 . 2 . . . . 35 ARG HB2 . 15938 1 364 . 1 1 35 35 ARG HD2 H 1 2.8985 0.100 . 2 . . . . 35 ARG HD2 . 15938 1 365 . 1 1 35 35 ARG HG2 H 1 1.4595 0.100 . 2 . . . . 35 ARG HG2 . 15938 1 366 . 1 1 35 35 ARG HG3 H 1 1.3085 0.100 . 2 . . . . 35 ARG HG3 . 15938 1 367 . 1 1 35 35 ARG CA C 13 56.778 0.300 . 1 . . . . 35 ARG CA . 15938 1 368 . 1 1 35 35 ARG CB C 13 26.892 0.300 . 1 . . . . 35 ARG CB . 15938 1 369 . 1 1 35 35 ARG CD C 13 40.313 0.300 . 1 . . . . 35 ARG CD . 15938 1 370 . 1 1 35 35 ARG CG C 13 24.687 0.300 . 1 . . . . 35 ARG CG . 15938 1 371 . 1 1 35 35 ARG N N 15 120.706 0.300 . 1 . . . . 35 ARG N . 15938 1 372 . 1 1 36 36 LYS H H 1 7.0745 0.100 . 1 . . . . 36 LYS HN . 15938 1 373 . 1 1 36 36 LYS HA H 1 3.84025 0.100 . 1 . . . . 36 LYS HA . 15938 1 374 . 1 1 36 36 LYS HB2 H 1 1.759 0.100 . 2 . . . . 36 LYS HB2 . 15938 1 375 . 1 1 36 36 LYS HB3 H 1 1.61275 0.100 . 2 . . . . 36 LYS HB3 . 15938 1 376 . 1 1 36 36 LYS HD2 H 1 1.484 0.100 . 2 . . . . 36 LYS HD2 . 15938 1 377 . 1 1 36 36 LYS HE2 H 1 2.7815 0.100 . 2 . . . . 36 LYS HE2 . 15938 1 378 . 1 1 36 36 LYS HG2 H 1 1.3885 0.100 . 2 . . . . 36 LYS HG2 . 15938 1 379 . 1 1 36 36 LYS HG3 H 1 1.20675 0.100 . 2 . . . . 36 LYS HG3 . 15938 1 380 . 1 1 36 36 LYS CA C 13 56.288 0.300 . 1 . . . . 36 LYS CA . 15938 1 381 . 1 1 36 36 LYS CB C 13 30.091 0.300 . 1 . . . . 36 LYS CB . 15938 1 382 . 1 1 36 36 LYS CD C 13 26.562 0.300 . 1 . . . . 36 LYS CD . 15938 1 383 . 1 1 36 36 LYS CE C 13 39.687 0.300 . 1 . . . . 36 LYS CE . 15938 1 384 . 1 1 36 36 LYS CG C 13 22.812 0.300 . 1 . . . . 36 LYS CG . 15938 1 385 . 1 1 36 36 LYS N N 15 118.246 0.300 . 1 . . . . 36 LYS N . 15938 1 386 . 1 1 37 37 MET H H 1 7.3615 0.100 . 1 . . . . 37 MET HN . 15938 1 387 . 1 1 37 37 MET HA H 1 3.9575 0.100 . 1 . . . . 37 MET HA . 15938 1 388 . 1 1 37 37 MET HB2 H 1 1.5745 0.100 . 2 . . . . 37 MET HB2 . 15938 1 389 . 1 1 37 37 MET HB3 H 1 1.29425 0.100 . 2 . . . . 37 MET HB3 . 15938 1 390 . 1 1 37 37 MET HE1 H 1 1.7735 0.100 . 2 . . . . 37 MET QE . 15938 1 391 . 1 1 37 37 MET HE2 H 1 1.7735 0.100 . 2 . . . . 37 MET QE . 15938 1 392 . 1 1 37 37 MET HE3 H 1 1.7735 0.100 . 2 . . . . 37 MET QE . 15938 1 393 . 1 1 37 37 MET HG2 H 1 2.4545 0.100 . 2 . . . . 37 MET HG2 . 15938 1 394 . 1 1 37 37 MET HG3 H 1 1.762 0.100 . 2 . . . . 37 MET HG3 . 15938 1 395 . 1 1 37 37 MET CA C 13 54.972 0.300 . 1 . . . . 37 MET CA . 15938 1 396 . 1 1 37 37 MET CB C 13 31.521 0.300 . 1 . . . . 37 MET CB . 15938 1 397 . 1 1 37 37 MET CG C 13 29.687 0.300 . 1 . . . . 37 MET CG . 15938 1 398 . 1 1 37 37 MET N N 15 116.022 0.300 . 1 . . . . 37 MET N . 15938 1 399 . 1 1 38 38 GLN H H 1 6.836 0.100 . 1 . . . . 38 GLN HN . 15938 1 400 . 1 1 38 38 GLN HA H 1 3.45525 0.100 . 1 . . . . 38 GLN HA . 15938 1 401 . 1 1 38 38 GLN HB2 H 1 1.793 0.100 . 2 . . . . 38 GLN HB2 . 15938 1 402 . 1 1 38 38 GLN HE21 H 1 7.078 0.100 . 2 . . . . 38 GLN HE21 . 15938 1 403 . 1 1 38 38 GLN HE22 H 1 6.6335 0.100 . 2 . . . . 38 GLN HE22 . 15938 1 404 . 1 1 38 38 GLN HG2 H 1 2.27575 0.100 . 2 . . . . 38 GLN HG2 . 15938 1 405 . 1 1 38 38 GLN HG3 H 1 2.1485 0.100 . 2 . . . . 38 GLN HG3 . 15938 1 406 . 1 1 38 38 GLN CA C 13 55.938 0.300 . 1 . . . . 38 GLN CA . 15938 1 407 . 1 1 38 38 GLN CB C 13 25.312 0.300 . 1 . . . . 38 GLN CB . 15938 1 408 . 1 1 38 38 GLN CG C 13 30.312 0.300 . 1 . . . . 38 GLN CG . 15938 1 409 . 1 1 38 38 GLN N N 15 116.745 0.300 . 1 . . . . 38 GLN N . 15938 1 410 . 1 1 38 38 GLN NE2 N 15 111.820 0.300 . 1 . . . . 38 GLN NE2 . 15938 1 411 . 1 1 39 39 ALA H H 1 7.6355 0.100 . 1 . . . . 39 ALA HN . 15938 1 412 . 1 1 39 39 ALA HA H 1 4.21025 0.100 . 1 . . . . 39 ALA HA . 15938 1 413 . 1 1 39 39 ALA HB1 H 1 1.22925 0.100 . 2 . . . . 39 ALA QB . 15938 1 414 . 1 1 39 39 ALA HB2 H 1 1.22925 0.100 . 2 . . . . 39 ALA QB . 15938 1 415 . 1 1 39 39 ALA HB3 H 1 1.22925 0.100 . 2 . . . . 39 ALA QB . 15938 1 416 . 1 1 39 39 ALA CA C 13 50.313 0.300 . 1 . . . . 39 ALA CA . 15938 1 417 . 1 1 39 39 ALA CB C 13 16.278 0.300 . 1 . . . . 39 ALA CB . 15938 1 418 . 1 1 39 39 ALA N N 15 118.576 0.300 . 1 . . . . 39 ALA N . 15938 1 419 . 1 1 40 40 SER H H 1 8.2465 0.100 . 1 . . . . 40 SER HN . 15938 1 420 . 1 1 40 40 SER HA H 1 4.6815 0.100 . 1 . . . . 40 SER HA . 15938 1 421 . 1 1 40 40 SER HB2 H 1 4.1215 0.100 . 2 . . . . 40 SER HB2 . 15938 1 422 . 1 1 40 40 SER HB3 H 1 4.0725 0.100 . 2 . . . . 40 SER HB3 . 15938 1 423 . 1 1 40 40 SER CA C 13 55.122 0.300 . 1 . . . . 40 SER CA . 15938 1 424 . 1 1 40 40 SER CB C 13 60.938 0.300 . 1 . . . . 40 SER CB . 15938 1 425 . 1 1 40 40 SER N N 15 119.184 0.300 . 1 . . . . 40 SER N . 15938 1 426 . 1 1 41 41 PRO HA H 1 4.08275 0.100 . 1 . . . . 41 PRO HA . 15938 1 427 . 1 1 41 41 PRO HB2 H 1 2.219 0.100 . 2 . . . . 41 PRO HB2 . 15938 1 428 . 1 1 41 41 PRO HB3 H 1 1.792 0.100 . 2 . . . . 41 PRO HB3 . 15938 1 429 . 1 1 41 41 PRO HD2 H 1 3.9195 0.100 . 2 . . . . 41 PRO HD2 . 15938 1 430 . 1 1 41 41 PRO HG2 H 1 1.98275 0.100 . 2 . . . . 41 PRO HG2 . 15938 1 431 . 1 1 41 41 PRO HG3 H 1 1.8775 0.100 . 2 . . . . 41 PRO HG3 . 15938 1 432 . 1 1 41 41 PRO CA C 13 62.800 0.300 . 1 . . . . 41 PRO CA . 15938 1 433 . 1 1 41 41 PRO CD C 13 49.063 0.300 . 1 . . . . 41 PRO CD . 15938 1 434 . 1 1 42 42 GLU H H 1 9.8315 0.100 . 1 . . . . 42 GLU HN . 15938 1 435 . 1 1 42 42 GLU HA H 1 3.96125 0.100 . 1 . . . . 42 GLU HA . 15938 1 436 . 1 1 42 42 GLU HB2 H 1 2.01725 0.100 . 2 . . . . 42 GLU HB2 . 15938 1 437 . 1 1 42 42 GLU HB3 H 1 1.692 0.100 . 2 . . . . 42 GLU HB3 . 15938 1 438 . 1 1 42 42 GLU HG2 H 1 2.3045 0.100 . 2 . . . . 42 GLU HG2 . 15938 1 439 . 1 1 42 42 GLU HG3 H 1 2.15 0.100 . 2 . . . . 42 GLU HG3 . 15938 1 440 . 1 1 42 42 GLU CA C 13 57.832 0.300 . 1 . . . . 42 GLU CA . 15938 1 441 . 1 1 42 42 GLU CB C 13 27.812 0.300 . 1 . . . . 42 GLU CB . 15938 1 442 . 1 1 42 42 GLU CG C 13 31.562 0.300 . 1 . . . . 42 GLU CG . 15938 1 443 . 1 1 42 42 GLU N N 15 115.590 0.300 . 1 . . . . 42 GLU N . 15938 1 444 . 1 1 43 43 TYR H H 1 7.1375 0.100 . 1 . . . . 43 TYR HN . 15938 1 445 . 1 1 43 43 TYR HA H 1 4.19225 0.100 . 1 . . . . 43 TYR HA . 15938 1 446 . 1 1 43 43 TYR HB2 H 1 3.247 0.100 . 2 . . . . 43 TYR HB2 . 15938 1 447 . 1 1 43 43 TYR HB3 H 1 2.91375 0.100 . 2 . . . . 43 TYR HB3 . 15938 1 448 . 1 1 43 43 TYR HD1 H 1 6.916 0.100 . 3 . . . . 43 TYR QD . 15938 1 449 . 1 1 43 43 TYR HD2 H 1 6.916 0.100 . 3 . . . . 43 TYR QD . 15938 1 450 . 1 1 43 43 TYR HE1 H 1 6.5445 0.100 . 3 . . . . 43 TYR QE . 15938 1 451 . 1 1 43 43 TYR HE2 H 1 6.5445 0.100 . 3 . . . . 43 TYR QE . 15938 1 452 . 1 1 43 43 TYR CA C 13 58.438 0.300 . 1 . . . . 43 TYR CA . 15938 1 453 . 1 1 43 43 TYR CB C 13 37.812 0.300 . 1 . . . . 43 TYR CB . 15938 1 454 . 1 1 43 43 TYR CD2 C 13 130.373 0.300 . 1 . . . . 43 TYR CD2 . 15938 1 455 . 1 1 43 43 TYR CE2 C 13 114.866 0.300 . 1 . . . . 43 TYR CE2 . 15938 1 456 . 1 1 43 43 TYR N N 15 118.651 0.300 . 1 . . . . 43 TYR N . 15938 1 457 . 1 1 44 44 GLN H H 1 7.8325 0.100 . 1 . . . . 44 GLN HN . 15938 1 458 . 1 1 44 44 GLN HA H 1 3.506 0.100 . 1 . . . . 44 GLN HA . 15938 1 459 . 1 1 44 44 GLN HB2 H 1 1.92625 0.100 . 2 . . . . 44 GLN HB2 . 15938 1 460 . 1 1 44 44 GLN HB3 H 1 1.82025 0.100 . 2 . . . . 44 GLN HB3 . 15938 1 461 . 1 1 44 44 GLN HE21 H 1 7.64 0.100 . 2 . . . . 44 GLN HE21 . 15938 1 462 . 1 1 44 44 GLN HE22 H 1 6.664 0.100 . 2 . . . . 44 GLN HE22 . 15938 1 463 . 1 1 44 44 GLN HG2 H 1 2.499 0.100 . 2 . . . . 44 GLN HG2 . 15938 1 464 . 1 1 44 44 GLN HG3 H 1 2.377 0.100 . 2 . . . . 44 GLN HG3 . 15938 1 465 . 1 1 44 44 GLN CA C 13 56.110 0.300 . 1 . . . . 44 GLN CA . 15938 1 466 . 1 1 44 44 GLN CB C 13 25.161 0.300 . 1 . . . . 44 GLN CB . 15938 1 467 . 1 1 44 44 GLN CG C 13 30.937 0.300 . 1 . . . . 44 GLN CG . 15938 1 468 . 1 1 44 44 GLN N N 15 117.515 0.300 . 1 . . . . 44 GLN N . 15938 1 469 . 1 1 44 44 GLN NE2 N 15 110.570 0.300 . 1 . . . . 44 GLN NE2 . 15938 1 470 . 1 1 45 45 ASP H H 1 8.9675 0.100 . 1 . . . . 45 ASP HN . 15938 1 471 . 1 1 45 45 ASP HA H 1 4.22375 0.100 . 1 . . . . 45 ASP HA . 15938 1 472 . 1 1 45 45 ASP HB2 H 1 2.576 0.100 . 2 . . . . 45 ASP HB2 . 15938 1 473 . 1 1 45 45 ASP HB3 H 1 2.3895 0.100 . 2 . . . . 45 ASP HB3 . 15938 1 474 . 1 1 45 45 ASP CA C 13 54.407 0.300 . 1 . . . . 45 ASP CA . 15938 1 475 . 1 1 45 45 ASP CB C 13 37.694 0.300 . 1 . . . . 45 ASP CB . 15938 1 476 . 1 1 45 45 ASP N N 15 118.351 0.300 . 1 . . . . 45 ASP N . 15938 1 477 . 1 1 46 46 TYR H H 1 6.841 0.100 . 1 . . . . 46 TYR HN . 15938 1 478 . 1 1 46 46 TYR HA H 1 3.77475 0.100 . 1 . . . . 46 TYR HA . 15938 1 479 . 1 1 46 46 TYR HB2 H 1 2.84325 0.100 . 2 . . . . 46 TYR HB2 . 15938 1 480 . 1 1 46 46 TYR HB3 H 1 2.305 0.100 . 2 . . . . 46 TYR HB3 . 15938 1 481 . 1 1 46 46 TYR HD1 H 1 6.0725 0.100 . 3 . . . . 46 TYR QD . 15938 1 482 . 1 1 46 46 TYR HD2 H 1 6.0725 0.100 . 3 . . . . 46 TYR QD . 15938 1 483 . 1 1 46 46 TYR HE1 H 1 6.129 0.100 . 3 . . . . 46 TYR QE . 15938 1 484 . 1 1 46 46 TYR HE2 H 1 6.129 0.100 . 3 . . . . 46 TYR QE . 15938 1 485 . 1 1 46 46 TYR CA C 13 60.316 0.300 . 1 . . . . 46 TYR CA . 15938 1 486 . 1 1 46 46 TYR CB C 13 36.452 0.300 . 1 . . . . 46 TYR CB . 15938 1 487 . 1 1 46 46 TYR CD2 C 13 128.786 0.300 . 1 . . . . 46 TYR CD2 . 15938 1 488 . 1 1 46 46 TYR CE2 C 13 114.405 0.300 . 1 . . . . 46 TYR CE2 . 15938 1 489 . 1 1 46 46 TYR N N 15 118.500 0.300 . 1 . . . . 46 TYR N . 15938 1 490 . 1 1 47 47 VAL H H 1 8.125 0.100 . 1 . . . . 47 VAL HN . 15938 1 491 . 1 1 47 47 VAL HA H 1 2.82325 0.100 . 1 . . . . 47 VAL HA . 15938 1 492 . 1 1 47 47 VAL HB H 1 1.4525 0.100 . 1 . . . . 47 VAL HB . 15938 1 493 . 1 1 47 47 VAL HG11 H 1 0.13675 0.100 . 2 . . . . 47 VAL QG1 . 15938 1 494 . 1 1 47 47 VAL HG12 H 1 0.13675 0.100 . 2 . . . . 47 VAL QG1 . 15938 1 495 . 1 1 47 47 VAL HG13 H 1 0.13675 0.100 . 2 . . . . 47 VAL QG1 . 15938 1 496 . 1 1 47 47 VAL HG21 H 1 0.43375 0.100 . 2 . . . . 47 VAL QG2 . 15938 1 497 . 1 1 47 47 VAL HG22 H 1 0.43375 0.100 . 2 . . . . 47 VAL QG2 . 15938 1 498 . 1 1 47 47 VAL HG23 H 1 0.43375 0.100 . 2 . . . . 47 VAL QG2 . 15938 1 499 . 1 1 47 47 VAL CA C 13 63.553 0.300 . 1 . . . . 47 VAL CA . 15938 1 500 . 1 1 47 47 VAL CB C 13 27.812 0.300 . 1 . . . . 47 VAL CB . 15938 1 501 . 1 1 47 47 VAL CG1 C 13 19.687 0.300 . 2 . . . . 47 VAL CG1 . 15938 1 502 . 1 1 47 47 VAL CG2 C 13 19.062 0.300 . 2 . . . . 47 VAL CG2 . 15938 1 503 . 1 1 47 47 VAL N N 15 117.616 0.300 . 1 . . . . 47 VAL N . 15938 1 504 . 1 1 48 48 TYR H H 1 7.8575 0.100 . 1 . . . . 48 TYR HN . 15938 1 505 . 1 1 48 48 TYR HA H 1 3.86875 0.100 . 1 . . . . 48 TYR HA . 15938 1 506 . 1 1 48 48 TYR HB2 H 1 3.0285 0.100 . 2 . . . . 48 TYR HB2 . 15938 1 507 . 1 1 48 48 TYR HB3 H 1 2.8265 0.100 . 2 . . . . 48 TYR HB3 . 15938 1 508 . 1 1 48 48 TYR HD1 H 1 6.857 0.100 . 3 . . . . 48 TYR QD . 15938 1 509 . 1 1 48 48 TYR HD2 H 1 6.857 0.100 . 3 . . . . 48 TYR QD . 15938 1 510 . 1 1 48 48 TYR HE1 H 1 6.582 0.100 . 3 . . . . 48 TYR QE . 15938 1 511 . 1 1 48 48 TYR HE2 H 1 6.582 0.100 . 3 . . . . 48 TYR QE . 15938 1 512 . 1 1 48 48 TYR CA C 13 58.622 0.300 . 1 . . . . 48 TYR CA . 15938 1 513 . 1 1 48 48 TYR CB C 13 35.775 0.300 . 1 . . . . 48 TYR CB . 15938 1 514 . 1 1 48 48 TYR CD2 C 13 130.015 0.300 . 1 . . . . 48 TYR CD2 . 15938 1 515 . 1 1 48 48 TYR CE2 C 13 114.917 0.300 . 1 . . . . 48 TYR CE2 . 15938 1 516 . 1 1 48 48 TYR N N 15 121.176 0.300 . 1 . . . . 48 TYR N . 15938 1 517 . 1 1 49 49 LEU H H 1 6.926 0.100 . 1 . . . . 49 LEU HN . 15938 1 518 . 1 1 49 49 LEU HA H 1 3.7755 0.100 . 1 . . . . 49 LEU HA . 15938 1 519 . 1 1 49 49 LEU HB2 H 1 1.47025 0.100 . 2 . . . . 49 LEU HB2 . 15938 1 520 . 1 1 49 49 LEU HB3 H 1 1.2115 0.100 . 2 . . . . 49 LEU HB3 . 15938 1 521 . 1 1 49 49 LEU HD11 H 1 0.7005 0.100 . 2 . . . . 49 LEU QD1 . 15938 1 522 . 1 1 49 49 LEU HD12 H 1 0.7005 0.100 . 2 . . . . 49 LEU QD1 . 15938 1 523 . 1 1 49 49 LEU HD13 H 1 0.7005 0.100 . 2 . . . . 49 LEU QD1 . 15938 1 524 . 1 1 49 49 LEU HD21 H 1 0.64975 0.100 . 2 . . . . 49 LEU QD2 . 15938 1 525 . 1 1 49 49 LEU HD22 H 1 0.64975 0.100 . 2 . . . . 49 LEU QD2 . 15938 1 526 . 1 1 49 49 LEU HD23 H 1 0.64975 0.100 . 2 . . . . 49 LEU QD2 . 15938 1 527 . 1 1 49 49 LEU HG H 1 1.69775 0.100 . 1 . . . . 49 LEU HG . 15938 1 528 . 1 1 49 49 LEU CA C 13 54.688 0.300 . 1 . . . . 49 LEU CA . 15938 1 529 . 1 1 49 49 LEU CB C 13 40.938 0.300 . 1 . . . . 49 LEU CB . 15938 1 530 . 1 1 49 49 LEU CD1 C 13 22.812 0.300 . 2 . . . . 49 LEU CD1 . 15938 1 531 . 1 1 49 49 LEU CD2 C 13 22.812 0.300 . 2 . . . . 49 LEU CD2 . 15938 1 532 . 1 1 49 49 LEU CG C 13 25.312 0.300 . 1 . . . . 49 LEU CG . 15938 1 533 . 1 1 49 49 LEU N N 15 116.307 0.300 . 1 . . . . 49 LEU N . 15938 1 534 . 1 1 50 50 GLU H H 1 7.8945 0.100 . 1 . . . . 50 GLU HN . 15938 1 535 . 1 1 50 50 GLU HA H 1 4.212 0.100 . 1 . . . . 50 GLU HA . 15938 1 536 . 1 1 50 50 GLU HB2 H 1 1.65775 0.100 . 2 . . . . 50 GLU HB2 . 15938 1 537 . 1 1 50 50 GLU HB3 H 1 0.5215 0.100 . 2 . . . . 50 GLU HB3 . 15938 1 538 . 1 1 50 50 GLU HG2 H 1 1.697 0.100 . 2 . . . . 50 GLU HG2 . 15938 1 539 . 1 1 50 50 GLU HG3 H 1 1.40775 0.100 . 2 . . . . 50 GLU HG3 . 15938 1 540 . 1 1 50 50 GLU CA C 13 53.616 0.300 . 1 . . . . 50 GLU CA . 15938 1 541 . 1 1 50 50 GLU CB C 13 28.924 0.300 . 1 . . . . 50 GLU CB . 15938 1 542 . 1 1 50 50 GLU CG C 13 32.812 0.300 . 1 . . . . 50 GLU CG . 15938 1 543 . 1 1 50 50 GLU N N 15 114.774 0.300 . 1 . . . . 50 GLU N . 15938 1 544 . 1 1 51 51 GLY H H 1 7.768 0.100 . 1 . . . . 51 GLY HN . 15938 1 545 . 1 1 51 51 GLY HA2 H 1 4.168 0.100 . 2 . . . . 51 GLY HA1 . 15938 1 546 . 1 1 51 51 GLY HA3 H 1 3.76975 0.100 . 2 . . . . 51 GLY HA2 . 15938 1 547 . 1 1 51 51 GLY CA C 13 42.188 0.300 . 1 . . . . 51 GLY CA . 15938 1 548 . 1 1 51 51 GLY N N 15 109.724 0.300 . 1 . . . . 51 GLY N . 15938 1 549 . 1 1 52 52 THR H H 1 8.2305 0.100 . 1 . . . . 52 THR HN . 15938 1 550 . 1 1 52 52 THR HA H 1 3.68725 0.100 . 1 . . . . 52 THR HA . 15938 1 551 . 1 1 52 52 THR HB H 1 4.1235 0.100 . 1 . . . . 52 THR HB . 15938 1 552 . 1 1 52 52 THR HG21 H 1 1.25725 0.100 . 2 . . . . 52 THR QG2 . 15938 1 553 . 1 1 52 52 THR HG22 H 1 1.25725 0.100 . 2 . . . . 52 THR QG2 . 15938 1 554 . 1 1 52 52 THR HG23 H 1 1.25725 0.100 . 2 . . . . 52 THR QG2 . 15938 1 555 . 1 1 52 52 THR CA C 13 62.813 0.300 . 1 . . . . 52 THR CA . 15938 1 556 . 1 1 52 52 THR CB C 13 66.564 0.300 . 1 . . . . 52 THR CB . 15938 1 557 . 1 1 52 52 THR CG2 C 13 20.312 0.300 . 1 . . . . 52 THR CG2 . 15938 1 558 . 1 1 52 52 THR N N 15 111.611 0.300 . 1 . . . . 52 THR N . 15938 1 559 . 1 1 53 53 GLN H H 1 8.342 0.100 . 1 . . . . 53 GLN HN . 15938 1 560 . 1 1 53 53 GLN HA H 1 3.784 0.100 . 1 . . . . 53 GLN HA . 15938 1 561 . 1 1 53 53 GLN HB2 H 1 1.853 0.100 . 2 . . . . 53 GLN HB2 . 15938 1 562 . 1 1 53 53 GLN HB3 H 1 1.835 0.100 . 2 . . . . 53 GLN HB3 . 15938 1 563 . 1 1 53 53 GLN HE21 H 1 7.4225 0.100 . 2 . . . . 53 GLN HE21 . 15938 1 564 . 1 1 53 53 GLN HE22 H 1 6.767 0.100 . 2 . . . . 53 GLN HE22 . 15938 1 565 . 1 1 53 53 GLN HG2 H 1 2.234 0.100 . 2 . . . . 53 GLN HG2 . 15938 1 566 . 1 1 53 53 GLN CA C 13 57.117 0.300 . 1 . . . . 53 GLN CA . 15938 1 567 . 1 1 53 53 GLN CB C 13 24.521 0.300 . 1 . . . . 53 GLN CB . 15938 1 568 . 1 1 53 53 GLN CG C 13 31.562 0.300 . 1 . . . . 53 GLN CG . 15938 1 569 . 1 1 53 53 GLN N N 15 122.288 0.300 . 1 . . . . 53 GLN N . 15938 1 570 . 1 1 53 53 GLN NE2 N 15 112.996 0.300 . 1 . . . . 53 GLN NE2 . 15938 1 571 . 1 1 54 54 LYS H H 1 8.2365 0.100 . 1 . . . . 54 LYS HN . 15938 1 572 . 1 1 54 54 LYS HA H 1 3.78425 0.100 . 1 . . . . 54 LYS HA . 15938 1 573 . 1 1 54 54 LYS HB2 H 1 1.79275 0.100 . 2 . . . . 54 LYS HB2 . 15938 1 574 . 1 1 54 54 LYS HB3 H 1 1.42675 0.100 . 2 . . . . 54 LYS HB3 . 15938 1 575 . 1 1 54 54 LYS HD2 H 1 1.5335 0.100 . 2 . . . . 54 LYS HD2 . 15938 1 576 . 1 1 54 54 LYS HE2 H 1 2.75 0.100 . 2 . . . . 54 LYS HE2 . 15938 1 577 . 1 1 54 54 LYS HG2 H 1 1.421 0.100 . 2 . . . . 54 LYS HG2 . 15938 1 578 . 1 1 54 54 LYS HG3 H 1 1.25725 0.100 . 2 . . . . 54 LYS HG3 . 15938 1 579 . 1 1 54 54 LYS CA C 13 57.230 0.300 . 1 . . . . 54 LYS CA . 15938 1 580 . 1 1 54 54 LYS CB C 13 28.437 0.300 . 1 . . . . 54 LYS CB . 15938 1 581 . 1 1 54 54 LYS CD C 13 27.187 0.300 . 1 . . . . 54 LYS CD . 15938 1 582 . 1 1 54 54 LYS CE C 13 38.437 0.300 . 1 . . . . 54 LYS CE . 15938 1 583 . 1 1 54 54 LYS CG C 13 24.062 0.300 . 1 . . . . 54 LYS CG . 15938 1 584 . 1 1 54 54 LYS N N 15 121.397 0.300 . 1 . . . . 54 LYS N . 15938 1 585 . 1 1 55 55 ALA H H 1 7.2065 0.100 . 1 . . . . 55 ALA HN . 15938 1 586 . 1 1 55 55 ALA HA H 1 3.893 0.100 . 1 . . . . 55 ALA HA . 15938 1 587 . 1 1 55 55 ALA HB1 H 1 1.3285 0.100 . 2 . . . . 55 ALA QB . 15938 1 588 . 1 1 55 55 ALA HB2 H 1 1.3285 0.100 . 2 . . . . 55 ALA QB . 15938 1 589 . 1 1 55 55 ALA HB3 H 1 1.3285 0.100 . 2 . . . . 55 ALA QB . 15938 1 590 . 1 1 55 55 ALA CA C 13 49.063 0.300 . 1 . . . . 55 ALA CA . 15938 1 591 . 1 1 55 55 ALA CB C 13 16.562 0.300 . 1 . . . . 55 ALA CB . 15938 1 592 . 1 1 55 55 ALA N N 15 121.624 0.300 . 1 . . . . 55 ALA N . 15938 1 593 . 1 1 56 56 LYS H H 1 8.199 0.100 . 1 . . . . 56 LYS HN . 15938 1 594 . 1 1 56 56 LYS HA H 1 2.31575 0.100 . 1 . . . . 56 LYS HA . 15938 1 595 . 1 1 56 56 LYS HB2 H 1 1.36075 0.100 . 2 . . . . 56 LYS HB2 . 15938 1 596 . 1 1 56 56 LYS HB3 H 1 0.5225 0.100 . 2 . . . . 56 LYS HB3 . 15938 1 597 . 1 1 56 56 LYS HD2 H 1 1.10325 0.100 . 2 . . . . 56 LYS HD2 . 15938 1 598 . 1 1 56 56 LYS HD3 H 1 0.93325 0.100 . 2 . . . . 56 LYS HD3 . 15938 1 599 . 1 1 56 56 LYS HE2 H 1 2.519 0.100 . 2 . . . . 56 LYS HE2 . 15938 1 600 . 1 1 56 56 LYS HG2 H 1 0.5135 0.100 . 2 . . . . 56 LYS HG2 . 15938 1 601 . 1 1 56 56 LYS HG3 H 1 -0.18425 0.100 . 2 . . . . 56 LYS HG3 . 15938 1 602 . 1 1 56 56 LYS CA C 13 56.514 0.300 . 1 . . . . 56 LYS CA . 15938 1 603 . 1 1 56 56 LYS CB C 13 29.527 0.300 . 1 . . . . 56 LYS CB . 15938 1 604 . 1 1 56 56 LYS CD C 13 27.812 0.300 . 1 . . . . 56 LYS CD . 15938 1 605 . 1 1 56 56 LYS CE C 13 39.062 0.300 . 1 . . . . 56 LYS CE . 15938 1 606 . 1 1 56 56 LYS CG C 13 21.562 0.300 . 1 . . . . 56 LYS CG . 15938 1 607 . 1 1 56 56 LYS N N 15 124.153 0.300 . 1 . . . . 56 LYS N . 15938 1 608 . 1 1 57 57 LYS H H 1 7.8015 0.100 . 1 . . . . 57 LYS HN . 15938 1 609 . 1 1 57 57 LYS HA H 1 3.696 0.100 . 1 . . . . 57 LYS HA . 15938 1 610 . 1 1 57 57 LYS HB2 H 1 1.77525 0.100 . 2 . . . . 57 LYS HB2 . 15938 1 611 . 1 1 57 57 LYS HB3 H 1 1.146 0.100 . 2 . . . . 57 LYS HB3 . 15938 1 612 . 1 1 57 57 LYS HD2 H 1 1.4595 0.100 . 2 . . . . 57 LYS HD2 . 15938 1 613 . 1 1 57 57 LYS HE2 H 1 2.6945 0.100 . 2 . . . . 57 LYS HE2 . 15938 1 614 . 1 1 57 57 LYS HG2 H 1 1.42575 0.100 . 2 . . . . 57 LYS HG2 . 15938 1 615 . 1 1 57 57 LYS HG3 H 1 1.147 0.100 . 2 . . . . 57 LYS HG3 . 15938 1 616 . 1 1 57 57 LYS CA C 13 57.305 0.300 . 1 . . . . 57 LYS CA . 15938 1 617 . 1 1 57 57 LYS CB C 13 29.790 0.300 . 1 . . . . 57 LYS CB . 15938 1 618 . 1 1 57 57 LYS CD C 13 25.937 0.300 . 1 . . . . 57 LYS CD . 15938 1 619 . 1 1 57 57 LYS CE C 13 39.687 0.300 . 1 . . . . 57 LYS CE . 15938 1 620 . 1 1 57 57 LYS CG C 13 22.812 0.300 . 1 . . . . 57 LYS CG . 15938 1 621 . 1 1 57 57 LYS N N 15 120.226 0.300 . 1 . . . . 57 LYS N . 15938 1 622 . 1 1 58 58 LEU H H 1 7.7485 0.100 . 1 . . . . 58 LEU HN . 15938 1 623 . 1 1 58 58 LEU HA H 1 4.014 0.100 . 1 . . . . 58 LEU HA . 15938 1 624 . 1 1 58 58 LEU HB2 H 1 1.9335 0.100 . 2 . . . . 58 LEU HB2 . 15938 1 625 . 1 1 58 58 LEU HB3 H 1 1.45125 0.100 . 2 . . . . 58 LEU HB3 . 15938 1 626 . 1 1 58 58 LEU HD11 H 1 0.7425 0.100 . 2 . . . . 58 LEU QD1 . 15938 1 627 . 1 1 58 58 LEU HD12 H 1 0.7425 0.100 . 2 . . . . 58 LEU QD1 . 15938 1 628 . 1 1 58 58 LEU HD13 H 1 0.7425 0.100 . 2 . . . . 58 LEU QD1 . 15938 1 629 . 1 1 58 58 LEU HD21 H 1 0.679 0.100 . 2 . . . . 58 LEU QD2 . 15938 1 630 . 1 1 58 58 LEU HD22 H 1 0.679 0.100 . 2 . . . . 58 LEU QD2 . 15938 1 631 . 1 1 58 58 LEU HD23 H 1 0.679 0.100 . 2 . . . . 58 LEU QD2 . 15938 1 632 . 1 1 58 58 LEU HG H 1 1.782 0.100 . 1 . . . . 58 LEU HG . 15938 1 633 . 1 1 58 58 LEU CA C 13 55.912 0.300 . 1 . . . . 58 LEU CA . 15938 1 634 . 1 1 58 58 LEU CB C 13 39.313 0.300 . 1 . . . . 58 LEU CB . 15938 1 635 . 1 1 58 58 LEU CD1 C 13 23.437 0.300 . 2 . . . . 58 LEU CD1 . 15938 1 636 . 1 1 58 58 LEU CD2 C 13 23.437 0.300 . 2 . . . . 58 LEU CD2 . 15938 1 637 . 1 1 58 58 LEU CG C 13 25.937 0.300 . 1 . . . . 58 LEU CG . 15938 1 638 . 1 1 58 58 LEU N N 15 118.589 0.300 . 1 . . . . 58 LEU N . 15938 1 639 . 1 1 59 59 PHE H H 1 7.587 0.100 . 1 . . . . 59 PHE HN . 15938 1 640 . 1 1 59 59 PHE HA H 1 4.18125 0.100 . 1 . . . . 59 PHE HA . 15938 1 641 . 1 1 59 59 PHE HB2 H 1 3.369 0.100 . 2 . . . . 59 PHE HB2 . 15938 1 642 . 1 1 59 59 PHE HB3 H 1 3.2045 0.100 . 2 . . . . 59 PHE HB3 . 15938 1 643 . 1 1 59 59 PHE HD1 H 1 7.09 0.100 . 3 . . . . 59 PHE QD . 15938 1 644 . 1 1 59 59 PHE HD2 H 1 7.09 0.100 . 3 . . . . 59 PHE QD . 15938 1 645 . 1 1 59 59 PHE HE1 H 1 7.295 0.100 . 3 . . . . 59 PHE QE . 15938 1 646 . 1 1 59 59 PHE HE2 H 1 7.295 0.100 . 3 . . . . 59 PHE QE . 15938 1 647 . 1 1 59 59 PHE HZ H 1 6.944 0.100 . 1 . . . . 59 PHE HZ . 15938 1 648 . 1 1 59 59 PHE CA C 13 59.036 0.300 . 1 . . . . 59 PHE CA . 15938 1 649 . 1 1 59 59 PHE CB C 13 36.340 0.300 . 1 . . . . 59 PHE CB . 15938 1 650 . 1 1 59 59 PHE CD2 C 13 128.377 0.300 . 1 . . . . 59 PHE CD2 . 15938 1 651 . 1 1 59 59 PHE CE2 C 13 128.684 0.300 . 1 . . . . 59 PHE CE2 . 15938 1 652 . 1 1 59 59 PHE CZ C 13 130.015 0.300 . 1 . . . . 59 PHE CZ . 15938 1 653 . 1 1 59 59 PHE N N 15 122.478 0.300 . 1 . . . . 59 PHE N . 15938 1 654 . 1 1 60 60 LEU H H 1 8.5765 0.100 . 1 . . . . 60 LEU HN . 15938 1 655 . 1 1 60 60 LEU HA H 1 3.528 0.100 . 1 . . . . 60 LEU HA . 15938 1 656 . 1 1 60 60 LEU HB2 H 1 1.8305 0.100 . 2 . . . . 60 LEU HB2 . 15938 1 657 . 1 1 60 60 LEU HB3 H 1 1.1975 0.100 . 2 . . . . 60 LEU HB3 . 15938 1 658 . 1 1 60 60 LEU HD11 H 1 0.763 0.100 . 2 . . . . 60 LEU QD1 . 15938 1 659 . 1 1 60 60 LEU HD12 H 1 0.763 0.100 . 2 . . . . 60 LEU QD1 . 15938 1 660 . 1 1 60 60 LEU HD13 H 1 0.763 0.100 . 2 . . . . 60 LEU QD1 . 15938 1 661 . 1 1 60 60 LEU HD21 H 1 0.76575 0.100 . 2 . . . . 60 LEU QD2 . 15938 1 662 . 1 1 60 60 LEU HD22 H 1 0.76575 0.100 . 2 . . . . 60 LEU QD2 . 15938 1 663 . 1 1 60 60 LEU HD23 H 1 0.76575 0.100 . 2 . . . . 60 LEU QD2 . 15938 1 664 . 1 1 60 60 LEU HG H 1 1.7705 0.100 . 1 . . . . 60 LEU HG . 15938 1 665 . 1 1 60 60 LEU CA C 13 55.084 0.300 . 1 . . . . 60 LEU CA . 15938 1 666 . 1 1 60 60 LEU CB C 13 38.259 0.300 . 1 . . . . 60 LEU CB . 15938 1 667 . 1 1 60 60 LEU CD1 C 13 24.062 0.300 . 2 . . . . 60 LEU CD1 . 15938 1 668 . 1 1 60 60 LEU CD2 C 13 24.062 0.300 . 2 . . . . 60 LEU CD2 . 15938 1 669 . 1 1 60 60 LEU CG C 13 24.687 0.300 . 1 . . . . 60 LEU CG . 15938 1 670 . 1 1 60 60 LEU N N 15 120.969 0.300 . 1 . . . . 60 LEU N . 15938 1 671 . 1 1 61 61 GLN H H 1 7.956 0.100 . 1 . . . . 61 GLN HN . 15938 1 672 . 1 1 61 61 GLN HA H 1 3.89175 0.100 . 1 . . . . 61 GLN HA . 15938 1 673 . 1 1 61 61 GLN HB2 H 1 2.1555 0.100 . 2 . . . . 61 GLN HB2 . 15938 1 674 . 1 1 61 61 GLN HB3 H 1 2.09325 0.100 . 2 . . . . 61 GLN HB3 . 15938 1 675 . 1 1 61 61 GLN HE21 H 1 7.3695 0.100 . 2 . . . . 61 GLN HE21 . 15938 1 676 . 1 1 61 61 GLN HE22 H 1 6.6695 0.100 . 2 . . . . 61 GLN HE22 . 15938 1 677 . 1 1 61 61 GLN HG2 H 1 2.40125 0.100 . 2 . . . . 61 GLN HG2 . 15938 1 678 . 1 1 61 61 GLN HG3 H 1 2.178 0.100 . 2 . . . . 61 GLN HG3 . 15938 1 679 . 1 1 61 61 GLN CA C 13 56.326 0.300 . 1 . . . . 61 GLN CA . 15938 1 680 . 1 1 61 61 GLN CB C 13 25.581 0.300 . 1 . . . . 61 GLN CB . 15938 1 681 . 1 1 61 61 GLN CG C 13 31.562 0.300 . 1 . . . . 61 GLN CG . 15938 1 682 . 1 1 61 61 GLN N N 15 119.668 0.300 . 1 . . . . 61 GLN N . 15938 1 683 . 1 1 61 61 GLN NE2 N 15 111.564 0.300 . 1 . . . . 61 GLN NE2 . 15938 1 684 . 1 1 62 62 HIS H H 1 7.487 0.100 . 1 . . . . 62 HIS HN . 15938 1 685 . 1 1 62 62 HIS HA H 1 4.13025 0.100 . 1 . . . . 62 HIS HA . 15938 1 686 . 1 1 62 62 HIS HB2 H 1 3.02925 0.100 . 2 . . . . 62 HIS HB2 . 15938 1 687 . 1 1 62 62 HIS HB3 H 1 2.813 0.100 . 2 . . . . 62 HIS HB3 . 15938 1 688 . 1 1 62 62 HIS HD1 H 1 6.135 0.100 . 1 . . . . 62 HIS HD1 . 15938 1 689 . 1 1 62 62 HIS HE1 H 1 7.5955 0.100 . 1 . . . . 62 HIS HE1 . 15938 1 690 . 1 1 62 62 HIS CA C 13 57.531 0.300 . 1 . . . . 62 HIS CA . 15938 1 691 . 1 1 62 62 HIS CB C 13 28.134 0.300 . 1 . . . . 62 HIS CB . 15938 1 692 . 1 1 62 62 HIS CD2 C 13 113.385 0.300 . 1 . . . . 62 HIS CD2 . 15938 1 693 . 1 1 62 62 HIS CE1 C 13 135.746 0.300 . 1 . . . . 62 HIS CE1 . 15938 1 694 . 1 1 62 62 HIS N N 15 121.475 0.300 . 1 . . . . 62 HIS N . 15938 1 695 . 1 1 63 63 ILE H H 1 7.7465 0.100 . 1 . . . . 63 ILE HN . 15938 1 696 . 1 1 63 63 ILE HA H 1 3.296625 0.100 . 1 . . . . 63 ILE HA . 15938 1 697 . 1 1 63 63 ILE HB H 1 1.82075 0.100 . 1 . . . . 63 ILE HB . 15938 1 698 . 1 1 63 63 ILE HD11 H 1 0.495375 0.100 . 2 . . . . 63 ILE QD1 . 15938 1 699 . 1 1 63 63 ILE HD12 H 1 0.495375 0.100 . 2 . . . . 63 ILE QD1 . 15938 1 700 . 1 1 63 63 ILE HD13 H 1 0.495375 0.100 . 2 . . . . 63 ILE QD1 . 15938 1 701 . 1 1 63 63 ILE HG12 H 1 0.81875 0.100 . 2 . . . . 63 ILE HG12 . 15938 1 702 . 1 1 63 63 ILE HG13 H 1 0.7795 0.100 . 2 . . . . 63 ILE HG13 . 15938 1 703 . 1 1 63 63 ILE HG21 H 1 0.682125 0.100 . 2 . . . . 63 ILE QG2 . 15938 1 704 . 1 1 63 63 ILE HG22 H 1 0.682125 0.100 . 2 . . . . 63 ILE QG2 . 15938 1 705 . 1 1 63 63 ILE HG23 H 1 0.682125 0.100 . 2 . . . . 63 ILE QG2 . 15938 1 706 . 1 1 63 63 ILE CA C 13 60.4085 0.300 . 1 . . . . 63 ILE CA . 15938 1 707 . 1 1 63 63 ILE CB C 13 33.437 0.300 . 1 . . . . 63 ILE CB . 15938 1 708 . 1 1 63 63 ILE CD1 C 13 8.436 0.300 . 1 . . . . 63 ILE CD1 . 15938 1 709 . 1 1 63 63 ILE CG2 C 13 15.312 0.300 . 1 . . . . 63 ILE CG2 . 15938 1 710 . 1 1 63 63 ILE N N 15 116.455 0.300 . 1 . . . . 63 ILE N . 15938 1 711 . 1 1 64 64 HIS H H 1 7.703 0.100 . 1 . . . . 64 HIS HN . 15938 1 712 . 1 1 64 64 HIS HA H 1 3.98275 0.100 . 1 . . . . 64 HIS HA . 15938 1 713 . 1 1 64 64 HIS HB2 H 1 3.066 0.100 . 2 . . . . 64 HIS HB2 . 15938 1 714 . 1 1 64 64 HIS HB3 H 1 2.952 0.100 . 2 . . . . 64 HIS HB3 . 15938 1 715 . 1 1 64 64 HIS HD1 H 1 6.733 0.100 . 1 . . . . 64 HIS HD1 . 15938 1 716 . 1 1 64 64 HIS HD2 H 1 6.772 0.100 . 1 . . . . 64 HIS HD2 . 15938 1 717 . 1 1 64 64 HIS HE1 H 1 7.5555 0.100 . 1 . . . . 64 HIS HE1 . 15938 1 718 . 1 1 64 64 HIS CA C 13 57.832 0.300 . 1 . . . . 64 HIS CA . 15938 1 719 . 1 1 64 64 HIS CB C 13 27.382 0.300 . 1 . . . . 64 HIS CB . 15938 1 720 . 1 1 64 64 HIS CD2 C 13 116.145 0.300 . 1 . . . . 64 HIS CD2 . 15938 1 721 . 1 1 64 64 HIS CE1 C 13 134.109 0.300 . 1 . . . . 64 HIS CE1 . 15938 1 722 . 1 1 64 64 HIS N N 15 118.476 0.300 . 1 . . . . 64 HIS N . 15938 1 723 . 1 1 65 65 ARG H H 1 7.501 0.100 . 1 . . . . 65 ARG HN . 15938 1 724 . 1 1 65 65 ARG HA H 1 3.789 0.100 . 1 . . . . 65 ARG HA . 15938 1 725 . 1 1 65 65 ARG HB2 H 1 1.78625 0.100 . 2 . . . . 65 ARG HB2 . 15938 1 726 . 1 1 65 65 ARG HB3 H 1 1.647 0.100 . 2 . . . . 65 ARG HB3 . 15938 1 727 . 1 1 65 65 ARG HD2 H 1 3.07 0.100 . 2 . . . . 65 ARG HD2 . 15938 1 728 . 1 1 65 65 ARG HD3 H 1 2.996 0.100 . 2 . . . . 65 ARG HD3 . 15938 1 729 . 1 1 65 65 ARG HG2 H 1 1.64 0.100 . 2 . . . . 65 ARG HG2 . 15938 1 730 . 1 1 65 65 ARG HG3 H 1 1.35075 0.100 . 2 . . . . 65 ARG HG3 . 15938 1 731 . 1 1 65 65 ARG CA C 13 56.966 0.300 . 1 . . . . 65 ARG CA . 15938 1 732 . 1 1 65 65 ARG CB C 13 27.194 0.300 . 1 . . . . 65 ARG CB . 15938 1 733 . 1 1 65 65 ARG CD C 13 40.938 0.300 . 1 . . . . 65 ARG CD . 15938 1 734 . 1 1 65 65 ARG CG C 13 25.312 0.300 . 1 . . . . 65 ARG CG . 15938 1 735 . 1 1 65 65 ARG N N 15 119.155 0.300 . 1 . . . . 65 ARG N . 15938 1 736 . 1 1 66 66 LEU H H 1 7.708 0.100 . 1 . . . . 66 LEU HN . 15938 1 737 . 1 1 66 66 LEU HA H 1 3.79075 0.100 . 1 . . . . 66 LEU HA . 15938 1 738 . 1 1 66 66 LEU HB2 H 1 1.5455 0.100 . 2 . . . . 66 LEU HB2 . 15938 1 739 . 1 1 66 66 LEU HB3 H 1 1.15375 0.100 . 2 . . . . 66 LEU HB3 . 15938 1 740 . 1 1 66 66 LEU HD11 H 1 0.376125 0.100 . 2 . . . . 66 LEU QD1 . 15938 1 741 . 1 1 66 66 LEU HD12 H 1 0.376125 0.100 . 2 . . . . 66 LEU QD1 . 15938 1 742 . 1 1 66 66 LEU HD13 H 1 0.376125 0.100 . 2 . . . . 66 LEU QD1 . 15938 1 743 . 1 1 66 66 LEU HD21 H 1 0.38775 0.100 . 2 . . . . 66 LEU QD2 . 15938 1 744 . 1 1 66 66 LEU HD22 H 1 0.38775 0.100 . 2 . . . . 66 LEU QD2 . 15938 1 745 . 1 1 66 66 LEU HD23 H 1 0.38775 0.100 . 2 . . . . 66 LEU QD2 . 15938 1 746 . 1 1 66 66 LEU HG H 1 1.086 0.100 . 1 . . . . 66 LEU HG . 15938 1 747 . 1 1 66 66 LEU CA C 13 54.143 0.300 . 1 . . . . 66 LEU CA . 15938 1 748 . 1 1 66 66 LEU CB C 13 39.688 0.300 . 1 . . . . 66 LEU CB . 15938 1 749 . 1 1 66 66 LEU CD1 C 13 22.812 0.300 . 2 . . . . 66 LEU CD1 . 15938 1 750 . 1 1 66 66 LEU CD2 C 13 21.2495 0.300 . 2 . . . . 66 LEU CD2 . 15938 1 751 . 1 1 66 66 LEU CG C 13 23.437 0.300 . 1 . . . . 66 LEU CG . 15938 1 752 . 1 1 66 66 LEU N N 15 118.791 0.300 . 1 . . . . 66 LEU N . 15938 1 753 . 1 1 67 67 LYS H H 1 7.573 0.100 . 1 . . . . 67 LYS HN . 15938 1 754 . 1 1 67 67 LYS HA H 1 3.358 0.100 . 1 . . . . 67 LYS HA . 15938 1 755 . 1 1 67 67 LYS HB2 H 1 1.2125 0.100 . 2 . . . . 67 LYS HB2 . 15938 1 756 . 1 1 67 67 LYS HD2 H 1 1.201 0.100 . 2 . . . . 67 LYS HD2 . 15938 1 757 . 1 1 67 67 LYS HE2 H 1 2.5905 0.100 . 2 . . . . 67 LYS HE2 . 15938 1 758 . 1 1 67 67 LYS HE3 H 1 2.610 0.100 . 2 . . . . 67 LYS HE3 . 15938 1 759 . 1 1 67 67 LYS HG2 H 1 0.82425 0.100 . 2 . . . . 67 LYS HG2 . 15938 1 760 . 1 1 67 67 LYS HG3 H 1 0.51175 0.100 . 2 . . . . 67 LYS HG3 . 15938 1 761 . 1 1 67 67 LYS CA C 13 55.255 0.300 . 1 . . . . 67 LYS CA . 15938 1 762 . 1 1 67 67 LYS CB C 13 30.352 0.300 . 1 . . . . 67 LYS CB . 15938 1 763 . 1 1 67 67 LYS CD C 13 26.8745 0.300 . 1 . . . . 67 LYS CD . 15938 1 764 . 1 1 67 67 LYS CE C 13 39.687 0.300 . 1 . . . . 67 LYS CE . 15938 1 765 . 1 1 67 67 LYS CG C 13 22.812 0.300 . 1 . . . . 67 LYS CG . 15938 1 766 . 1 1 67 67 LYS N N 15 118.232 0.300 . 1 . . . . 67 LYS N . 15938 1 767 . 1 1 68 68 HIS H H 1 7.398 0.100 . 1 . . . . 68 HIS HN . 15938 1 768 . 1 1 68 68 HIS HA H 1 4.28725 0.100 . 1 . . . . 68 HIS HA . 15938 1 769 . 1 1 68 68 HIS HB2 H 1 2.96125 0.100 . 2 . . . . 68 HIS HB2 . 15938 1 770 . 1 1 68 68 HIS HB3 H 1 2.5505 0.100 . 2 . . . . 68 HIS HB3 . 15938 1 771 . 1 1 68 68 HIS HD1 H 1 6.528 0.100 . 1 . . . . 68 HIS HD1 . 15938 1 772 . 1 1 68 68 HIS HD2 H 1 6.554 0.100 . 1 . . . . 68 HIS HD2 . 15938 1 773 . 1 1 68 68 HIS HE1 H 1 7.609 0.100 . 1 . . . . 68 HIS HE1 . 15938 1 774 . 1 1 68 68 HIS CA C 13 53.438 0.300 . 1 . . . . 68 HIS CA . 15938 1 775 . 1 1 68 68 HIS CB C 13 27.156 0.300 . 1 . . . . 68 HIS CB . 15938 1 776 . 1 1 68 68 HIS CD2 C 13 115.531 0.300 . 1 . . . . 68 HIS CD2 . 15938 1 777 . 1 1 68 68 HIS CE1 C 13 135.388 0.300 . 1 . . . . 68 HIS CE1 . 15938 1 778 . 1 1 68 68 HIS N N 15 116.826 0.300 . 1 . . . . 68 HIS N . 15938 1 779 . 1 1 69 69 GLU H H 1 7.512 0.100 . 1 . . . . 69 GLU HN . 15938 1 780 . 1 1 69 69 GLU HA H 1 3.88975 0.100 . 1 . . . . 69 GLU HA . 15938 1 781 . 1 1 69 69 GLU HB2 H 1 1.8265 0.100 . 2 . . . . 69 GLU HB2 . 15938 1 782 . 1 1 69 69 GLU HB3 H 1 1.703 0.100 . 2 . . . . 69 GLU HB3 . 15938 1 783 . 1 1 69 69 GLU HG2 H 1 2.021 0.100 . 2 . . . . 69 GLU HG2 . 15938 1 784 . 1 1 69 69 GLU CA C 13 56.563 0.300 . 1 . . . . 69 GLU CA . 15938 1 785 . 1 1 69 69 GLU CB C 13 27.812 0.300 . 1 . . . . 69 GLU CB . 15938 1 786 . 1 1 69 69 GLU CG C 13 34.687 0.300 . 1 . . . . 69 GLU CG . 15938 1 787 . 1 1 69 69 GLU N N 15 126.588 0.300 . 1 . . . . 69 GLU N . 15938 1 stop_ save_