data_16590 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16590 _Entry.Title ; protein x ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-10-28 _Entry.Accession_date 2009-10-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'protein x' _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 Edward Petri . T. . 16590 2 Andjelka Celic . . . 16590 3 Scott Kennedy . D. . 16590 4 Barbara Ehrlich . E. . 16590 5 Titus Boggon . J. . 16590 6 Michael Hodsdon . E. . 16590 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 . 'not applicable' 'not applicable' . 16590 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'protein x' . 16590 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16590 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 157 16590 '15N chemical shifts' 76 16590 '1H chemical shifts' 461 16590 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-24 2009-10-28 update BMRB 'complete entry citation' 16590 1 . . 2010-05-06 2009-10-28 original author 'original release' 16590 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KQ6 'BMRB Entry Tracking System' 16590 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16590 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20439752 _Citation.Full_citation . _Citation.Title 'Structure of the EF-hand domain of polycystin-2 suggests a mechanism for Ca2+-dependent regulation of polycystin-2 channel activity.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 107 _Citation.Journal_issue 20 _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 9176 _Citation.Page_last 9181 _Citation.Year 2010 _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 Edward Petri . T. . 16590 1 2 Andjelka Celic . . . 16590 1 3 Scott Kennedy . D. . 16590 1 4 Barbara Ehrlich . E. . 16590 1 5 Titus Boggon . J. . 16590 1 6 Michael Hodsdon . E. . 16590 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16590 _Assembly.ID 1 _Assembly.Name 'EF-hand domain of polycystin-2' _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 'EF-hand domain of polycystin-2' 1 $entity A . yes native no no . . . 16590 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16590 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'EF-hand domain of polycystin-2' _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 ; NTVDDISESLRQGGGKLNFD ELRQDLKGKGHTDAEIEAIF TKYDQDGDQELTEHEHQQMR DDLEKEREDLDLDHSSLP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 78 _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 9009.663 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16191 . Polycystin-2_Polypeptide . . . . . 98.72 123 100.00 100.00 2.61e-45 . . . . 16590 1 2 no BMRB 17621 . POLYCYSTIN-2 . . . . . 93.59 79 100.00 100.00 6.36e-42 . . . . 16590 1 3 no BMRB 18268 . EF-hand_domain_of_polycystin-2 . . . . . 100.00 78 100.00 100.00 2.39e-46 . . . . 16590 1 4 no PDB 2KLD . "Solution Structure Of The Calcium Binding Domain Of The C- Terminal Cytosolic Domain Of Polycystin-2" . . . . . 98.72 123 100.00 100.00 2.61e-45 . . . . 16590 1 5 no PDB 2KLE . "Isic Refined Solution Structure Of The Calcium Binding Domain Of The C-Terminal Cytosolic Domain Of Polycystin-2" . . . . . 98.72 123 100.00 100.00 2.61e-45 . . . . 16590 1 6 no PDB 2KQ6 . "The Structure Of The Ef-Hand Domain Of Polycystin-2 Suggests Mechanism For Ca2+-Dependent Regulation Of Polycystin-2 Cha Activi" . . . . . 100.00 78 100.00 100.00 2.39e-46 . . . . 16590 1 7 no PDB 2Y4Q . "Solution Structure Of The Ef-hand Domain Of Human Polycystin 2" . . . . . 93.59 79 100.00 100.00 6.36e-42 . . . . 16590 1 8 no DBJ BAG56956 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 294 100.00 100.00 4.38e-45 . . . . 16590 1 9 no DBJ BAG57494 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 386 100.00 100.00 1.72e-44 . . . . 16590 1 10 no EMBL CAG31243 . "hypothetical protein RCJMB04_4e2 [Gallus gallus]" . . . . . 100.00 881 97.44 97.44 1.69e-41 . . . . 16590 1 11 no EMBL CAI38797 . "polycystic kidney disease 2 membrane protein [Bos taurus]" . . . . . 100.00 970 100.00 100.00 4.48e-43 . . . . 16590 1 12 no GB AAC16004 . "autosomal dominant polycystic kidney disease type II protein [Homo sapiens]" . . . . . 100.00 968 100.00 100.00 1.49e-43 . . . . 16590 1 13 no GB AAC50520 . "autosomal dominant polycystic kidney disease type II [Homo sapiens]" . . . . . 100.00 968 100.00 100.00 1.37e-43 . . . . 16590 1 14 no GB AAC50933 . "polycystwin, partial [Homo sapiens]" . . . . . 100.00 608 100.00 100.00 3.97e-44 . . . . 16590 1 15 no GB AAI11455 . "PKD2 protein, partial [synthetic construct]" . . . . . 100.00 968 100.00 100.00 1.37e-43 . . . . 16590 1 16 no GB AAI12262 . "Polycystin 2 [Homo sapiens]" . . . . . 100.00 968 100.00 100.00 1.28e-43 . . . . 16590 1 17 no REF NP_000288 . "polycystin-2 [Homo sapiens]" . . . . . 100.00 968 100.00 100.00 1.37e-43 . . . . 16590 1 18 no REF NP_001026311 . "polycystin 2 [Gallus gallus]" . . . . . 100.00 881 97.44 97.44 1.69e-41 . . . . 16590 1 19 no REF NP_001039777 . "polycystin-2 [Bos taurus]" . . . . . 100.00 970 100.00 100.00 4.48e-43 . . . . 16590 1 20 no REF NP_001232908 . "polycystin-2 [Sus scrofa]" . . . . . 100.00 970 97.44 98.72 2.49e-41 . . . . 16590 1 21 no REF XP_001099242 . "PREDICTED: polycystin-2 [Macaca mulatta]" . . . . . 100.00 969 100.00 100.00 3.85e-43 . . . . 16590 1 22 no SP Q13563 . "RecName: Full=Polycystin-2; AltName: Full=Autosomal dominant polycystic kidney disease type II protein; AltName: Full=Polycysti" . . . . . 100.00 968 100.00 100.00 1.37e-43 . . . . 16590 1 23 no SP Q4GZT3 . "RecName: Full=Polycystin-2; AltName: Full=Polycystic kidney disease 2 protein homolog; AltName: Full=Transient receptor potenti" . . . . . 100.00 970 100.00 100.00 4.48e-43 . . . . 16590 1 24 no TPG DAA28806 . "TPA: polycystin-2 [Bos taurus]" . . . . . 100.00 970 100.00 100.00 4.48e-43 . . . . 16590 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 . ASN . 16590 1 2 . THR . 16590 1 3 . VAL . 16590 1 4 . ASP . 16590 1 5 . ASP . 16590 1 6 . ILE . 16590 1 7 . SER . 16590 1 8 . GLU . 16590 1 9 . SER . 16590 1 10 . LEU . 16590 1 11 . ARG . 16590 1 12 . GLN . 16590 1 13 . GLY . 16590 1 14 . GLY . 16590 1 15 . GLY . 16590 1 16 . LYS . 16590 1 17 . LEU . 16590 1 18 . ASN . 16590 1 19 . PHE . 16590 1 20 . ASP . 16590 1 21 . GLU . 16590 1 22 . LEU . 16590 1 23 . ARG . 16590 1 24 . GLN . 16590 1 25 . ASP . 16590 1 26 . LEU . 16590 1 27 . LYS . 16590 1 28 . GLY . 16590 1 29 . LYS . 16590 1 30 . GLY . 16590 1 31 . HIS . 16590 1 32 . THR . 16590 1 33 . ASP . 16590 1 34 . ALA . 16590 1 35 . GLU . 16590 1 36 . ILE . 16590 1 37 . GLU . 16590 1 38 . ALA . 16590 1 39 . ILE . 16590 1 40 . PHE . 16590 1 41 . THR . 16590 1 42 . LYS . 16590 1 43 . TYR . 16590 1 44 . ASP . 16590 1 45 . GLN . 16590 1 46 . ASP . 16590 1 47 . GLY . 16590 1 48 . ASP . 16590 1 49 . GLN . 16590 1 50 . GLU . 16590 1 51 . LEU . 16590 1 52 . THR . 16590 1 53 . GLU . 16590 1 54 . HIS . 16590 1 55 . GLU . 16590 1 56 . HIS . 16590 1 57 . GLN . 16590 1 58 . GLN . 16590 1 59 . MET . 16590 1 60 . ARG . 16590 1 61 . ASP . 16590 1 62 . ASP . 16590 1 63 . LEU . 16590 1 64 . GLU . 16590 1 65 . LYS . 16590 1 66 . GLU . 16590 1 67 . ARG . 16590 1 68 . GLU . 16590 1 69 . ASP . 16590 1 70 . LEU . 16590 1 71 . ASP . 16590 1 72 . LEU . 16590 1 73 . ASP . 16590 1 74 . HIS . 16590 1 75 . SER . 16590 1 76 . SER . 16590 1 77 . LEU . 16590 1 78 . PRO . 16590 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 . ASN 1 1 16590 1 . THR 2 2 16590 1 . VAL 3 3 16590 1 . ASP 4 4 16590 1 . ASP 5 5 16590 1 . ILE 6 6 16590 1 . SER 7 7 16590 1 . GLU 8 8 16590 1 . SER 9 9 16590 1 . LEU 10 10 16590 1 . ARG 11 11 16590 1 . GLN 12 12 16590 1 . GLY 13 13 16590 1 . GLY 14 14 16590 1 . GLY 15 15 16590 1 . LYS 16 16 16590 1 . LEU 17 17 16590 1 . ASN 18 18 16590 1 . PHE 19 19 16590 1 . ASP 20 20 16590 1 . GLU 21 21 16590 1 . LEU 22 22 16590 1 . ARG 23 23 16590 1 . GLN 24 24 16590 1 . ASP 25 25 16590 1 . LEU 26 26 16590 1 . LYS 27 27 16590 1 . GLY 28 28 16590 1 . LYS 29 29 16590 1 . GLY 30 30 16590 1 . HIS 31 31 16590 1 . THR 32 32 16590 1 . ASP 33 33 16590 1 . ALA 34 34 16590 1 . GLU 35 35 16590 1 . ILE 36 36 16590 1 . GLU 37 37 16590 1 . ALA 38 38 16590 1 . ILE 39 39 16590 1 . PHE 40 40 16590 1 . THR 41 41 16590 1 . LYS 42 42 16590 1 . TYR 43 43 16590 1 . ASP 44 44 16590 1 . GLN 45 45 16590 1 . ASP 46 46 16590 1 . GLY 47 47 16590 1 . ASP 48 48 16590 1 . GLN 49 49 16590 1 . GLU 50 50 16590 1 . LEU 51 51 16590 1 . THR 52 52 16590 1 . GLU 53 53 16590 1 . HIS 54 54 16590 1 . GLU 55 55 16590 1 . HIS 56 56 16590 1 . GLN 57 57 16590 1 . GLN 58 58 16590 1 . MET 59 59 16590 1 . ARG 60 60 16590 1 . ASP 61 61 16590 1 . ASP 62 62 16590 1 . LEU 63 63 16590 1 . GLU 64 64 16590 1 . LYS 65 65 16590 1 . GLU 66 66 16590 1 . ARG 67 67 16590 1 . GLU 68 68 16590 1 . ASP 69 69 16590 1 . LEU 70 70 16590 1 . ASP 71 71 16590 1 . LEU 72 72 16590 1 . ASP 73 73 16590 1 . HIS 74 74 16590 1 . SER 75 75 16590 1 . SER 76 76 16590 1 . LEU 77 77 16590 1 . PRO 78 78 16590 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 16590 _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 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16590 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 16590 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-28a+ . . . . . . 16590 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16590 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'EF-hand domain of polycystin-2' '[U-13C; U-15N]' . . 1 $entity . . 1 . . mM . . . . 16590 1 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16590 1 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 16590 1 4 PMSF 'natural abundance' . . . . . . 10 . . uM . . . . 16590 1 5 'TRIS pH7.4' 'natural abundance' . . . . . . 2 . . mM . . . . 16590 1 6 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16590 1 7 Ca2+ 'natural abundance' . . . . . . 20 . . mM . . . . 16590 1 8 D2O 'natural abundance' . . . . . . 95 . . % . . . . 16590 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16590 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'EF-hand domain of polycystin-2' [U-15N] . . 1 $entity . . 1 . . mM . . . . 16590 2 2 'TRIS pH7.4' 'natural abundance' . . . . . . 2 . . mM . . . . 16590 2 3 Ca2+ 'natural abundance' . . . . . . 20 . . mM . . . . 16590 2 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16590 2 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16590 2 6 PMSF 'natural abundance' . . . . . . 10 . . uM . . . . 16590 2 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16590 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16590 _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' 0.150 . M 16590 1 pH 7.4 . pH 16590 1 pressure 1 . atm 16590 1 temperature 303 . K 16590 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16590 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16590 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16590 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16590 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16590 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16590 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16590 _Software.ID 3 _Software.Name NMRDraw _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' . . 16590 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16590 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16590 _Software.ID 4 _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' . . 16590 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16590 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16590 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16590 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16590 5 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16590 _Software.ID 6 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16590 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 16590 6 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16590 _Software.ID 7 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16590 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16590 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16590 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'room temperature, 5 mm, triple resonance (HCN) probe equipped with triple-axis (XYZ) pulsed magnetic field gradients' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 16590 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 'room temperature, 5 mm, triple resonance (HCN) probe equipped with triple-axis (XYZ) pulsed magnetic field gradients' . . 16590 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 16590 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16590 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16590 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16590 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16590 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16590 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16590 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16590 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16590 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16590 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16590 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16590 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16590 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16590 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16590 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 16590 _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 na indirect 0.251449530 . . . . . . . . . 16590 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16590 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16590 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 16590 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16590 1 2 '2D 1H-13C HSQC' . . . 16590 1 3 '2D 1H-1H NOESY' . . . 16590 1 4 '3D CBCA(CO)NH' . . . 16590 1 5 '3D C(CO)NH' . . . 16590 1 8 '3D HNCACB' . . . 16590 1 10 '3D H(CCO)NH' . . . 16590 1 11 '3D HCCH-TOCSY' . . . 16590 1 12 '3D 1H-15N NOESY' . . . 16590 1 13 '3D 1H-15N TOCSY' . . . 16590 1 14 '3D 1H-13C NOESY' . . . 16590 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 16590 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASN HA H 1 4.877 0.001 . 1 . . . . 1 ASN HA . 16590 1 2 . 1 1 1 1 ASN HB2 H 1 2.898 0.000 . 2 . . . . 1 ASN HB2 . 16590 1 3 . 1 1 1 1 ASN HB3 H 1 2.824 0.000 . 2 . . . . 1 ASN HB3 . 16590 1 4 . 1 1 1 1 ASN CA C 13 53.159 0.002 . 1 . . . . 1 ASN CA . 16590 1 5 . 1 1 1 1 ASN CB C 13 39.030 0.000 . 1 . . . . 1 ASN CB . 16590 1 6 . 1 1 2 2 THR HA H 1 4.431 0.000 . 1 . . . . 2 THR HA . 16590 1 7 . 1 1 2 2 THR HB H 1 4.262 0.000 . 1 . . . . 2 THR HB . 16590 1 8 . 1 1 2 2 THR HG21 H 1 1.243 0.000 . . . . . . 2 THR HG2 . 16590 1 9 . 1 1 2 2 THR HG22 H 1 1.243 0.000 . . . . . . 2 THR HG2 . 16590 1 10 . 1 1 2 2 THR HG23 H 1 1.243 0.000 . . . . . . 2 THR HG2 . 16590 1 11 . 1 1 2 2 THR CA C 13 62.220 0.000 . 1 . . . . 2 THR CA . 16590 1 12 . 1 1 2 2 THR CB C 13 70.020 0.000 . 1 . . . . 2 THR CB . 16590 1 13 . 1 1 3 3 VAL H H 1 8.012 0.000 . 1 . . . . 3 VAL H . 16590 1 14 . 1 1 3 3 VAL HA H 1 4.151 0.000 . 1 . . . . 3 VAL HA . 16590 1 15 . 1 1 3 3 VAL HB H 1 2.159 0.000 . 1 . . . . 3 VAL HB . 16590 1 16 . 1 1 3 3 VAL HG21 H 1 0.941 0.004 . 2 . . . . 3 VAL HG2 . 16590 1 17 . 1 1 3 3 VAL HG22 H 1 0.941 0.004 . 2 . . . . 3 VAL HG2 . 16590 1 18 . 1 1 3 3 VAL HG23 H 1 0.941 0.004 . 2 . . . . 3 VAL HG2 . 16590 1 19 . 1 1 3 3 VAL CA C 13 62.430 0.000 . 1 . . . . 3 VAL CA . 16590 1 20 . 1 1 3 3 VAL CB C 13 32.720 0.000 . 1 . . . . 3 VAL CB . 16590 1 21 . 1 1 3 3 VAL CG2 C 13 21.180 0.000 . 2 . . . . 3 VAL CG2 . 16590 1 22 . 1 1 3 3 VAL N N 15 121.018 0.015 . 1 . . . . 3 VAL N . 16590 1 23 . 1 1 4 4 ASP H H 1 8.189 0.002 . 1 . . . . 4 ASP H . 16590 1 24 . 1 1 4 4 ASP HA H 1 4.567 0.012 . 1 . . . . 4 ASP HA . 16590 1 25 . 1 1 4 4 ASP N N 15 122.636 0.022 . 1 . . . . 4 ASP N . 16590 1 26 . 1 1 5 5 ASP H H 1 8.217 0.001 . 1 . . . . 5 ASP H . 16590 1 27 . 1 1 5 5 ASP HB2 H 1 2.728 0.006 . 2 . . . . 5 ASP HB2 . 16590 1 28 . 1 1 5 5 ASP HB3 H 1 2.613 0.001 . 2 . . . . 5 ASP HB3 . 16590 1 29 . 1 1 5 5 ASP N N 15 120.910 0.021 . 1 . . . . 5 ASP N . 16590 1 30 . 1 1 6 6 ILE H H 1 8.184 0.001 . 1 . . . . 6 ILE H . 16590 1 31 . 1 1 6 6 ILE HA H 1 3.856 0.003 . 1 . . . . 6 ILE HA . 16590 1 32 . 1 1 6 6 ILE HB H 1 1.853 0.000 . 1 . . . . 6 ILE HB . 16590 1 33 . 1 1 6 6 ILE HD11 H 1 0.671 0.000 . 1 . . . . 6 ILE HD1 . 16590 1 34 . 1 1 6 6 ILE HD12 H 1 0.671 0.000 . 1 . . . . 6 ILE HD1 . 16590 1 35 . 1 1 6 6 ILE HD13 H 1 0.671 0.000 . 1 . . . . 6 ILE HD1 . 16590 1 36 . 1 1 6 6 ILE HG12 H 1 1.702 0.000 . 2 . . . . 6 ILE HG12 . 16590 1 37 . 1 1 6 6 ILE HG21 H 1 0.936 0.000 . 1 . . . . 6 ILE HG2 . 16590 1 38 . 1 1 6 6 ILE HG22 H 1 0.936 0.000 . 1 . . . . 6 ILE HG2 . 16590 1 39 . 1 1 6 6 ILE HG23 H 1 0.936 0.000 . 1 . . . . 6 ILE HG2 . 16590 1 40 . 1 1 6 6 ILE CA C 13 61.660 0.000 . 1 . . . . 6 ILE CA . 16590 1 41 . 1 1 6 6 ILE N N 15 120.869 0.054 . 1 . . . . 6 ILE N . 16590 1 42 . 1 1 7 7 SER H H 1 8.376 0.002 . 1 . . . . 7 SER H . 16590 1 43 . 1 1 7 7 SER HA H 1 4.390 0.000 . 1 . . . . 7 SER HA . 16590 1 44 . 1 1 7 7 SER HB2 H 1 3.897 0.002 . 2 . . . . 7 SER HB . 16590 1 45 . 1 1 7 7 SER HB3 H 1 3.897 0.002 . 2 . . . . 7 SER HB . 16590 1 46 . 1 1 7 7 SER N N 15 119.433 0.013 . 1 . . . . 7 SER N . 16590 1 47 . 1 1 8 8 GLU H H 1 8.132 0.001 . 1 . . . . 8 GLU H . 16590 1 48 . 1 1 8 8 GLU N N 15 121.682 0.011 . 1 . . . . 8 GLU N . 16590 1 49 . 1 1 9 9 SER H H 1 8.206 0.001 . 1 . . . . 9 SER H . 16590 1 50 . 1 1 9 9 SER HA H 1 4.438 0.001 . 1 . . . . 9 SER HA . 16590 1 51 . 1 1 9 9 SER HB2 H 1 3.891 0.000 . 2 . . . . 9 SER HB . 16590 1 52 . 1 1 9 9 SER HB3 H 1 3.891 0.000 . 2 . . . . 9 SER HB . 16590 1 53 . 1 1 9 9 SER N N 15 115.936 0.005 . 1 . . . . 9 SER N . 16590 1 54 . 1 1 10 10 LEU H H 1 7.877 0.002 . 1 . . . . 10 LEU H . 16590 1 55 . 1 1 10 10 LEU HA H 1 4.048 0.000 . 1 . . . . 10 LEU HA . 16590 1 56 . 1 1 10 10 LEU HB2 H 1 1.809 0.000 . 2 . . . . 10 LEU HB . 16590 1 57 . 1 1 10 10 LEU HB3 H 1 1.809 0.000 . 2 . . . . 10 LEU HB . 16590 1 58 . 1 1 10 10 LEU HD11 H 1 0.779 0.000 . . . . . . 10 LEU HD . 16590 1 59 . 1 1 10 10 LEU HD12 H 1 0.779 0.000 . . . . . . 10 LEU HD . 16590 1 60 . 1 1 10 10 LEU HD13 H 1 0.779 0.000 . . . . . . 10 LEU HD . 16590 1 61 . 1 1 10 10 LEU HD21 H 1 0.779 0.000 . . . . . . 10 LEU HD . 16590 1 62 . 1 1 10 10 LEU HD22 H 1 0.779 0.000 . . . . . . 10 LEU HD . 16590 1 63 . 1 1 10 10 LEU HD23 H 1 0.779 0.000 . . . . . . 10 LEU HD . 16590 1 64 . 1 1 10 10 LEU N N 15 119.146 0.017 . 1 . . . . 10 LEU N . 16590 1 65 . 1 1 11 11 ARG HA H 1 4.272 0.000 . 1 . . . . 11 ARG HA . 16590 1 66 . 1 1 13 13 GLY H H 1 8.241 0.003 . 1 . . . . 13 GLY H . 16590 1 67 . 1 1 13 13 GLY HA2 H 1 4.025 0.004 . 2 . . . . 13 GLY HA . 16590 1 68 . 1 1 13 13 GLY HA3 H 1 4.025 0.004 . 2 . . . . 13 GLY HA . 16590 1 69 . 1 1 13 13 GLY CA C 13 45.820 0.000 . 1 . . . . 13 GLY CA . 16590 1 70 . 1 1 13 13 GLY N N 15 108.975 0.055 . 1 . . . . 13 GLY N . 16590 1 71 . 1 1 14 14 GLY H H 1 8.560 0.006 . 1 . . . . 14 GLY H . 16590 1 72 . 1 1 14 14 GLY HA2 H 1 4.154 0.002 . 2 . . . . 14 GLY HA2 . 16590 1 73 . 1 1 14 14 GLY HA3 H 1 3.722 0.004 . 2 . . . . 14 GLY HA3 . 16590 1 74 . 1 1 14 14 GLY CA C 13 45.390 0.000 . 1 . . . . 14 GLY CA . 16590 1 75 . 1 1 14 14 GLY N N 15 107.936 0.016 . 1 . . . . 14 GLY N . 16590 1 76 . 1 1 15 15 GLY H H 1 8.439 0.002 . 1 . . . . 15 GLY H . 16590 1 77 . 1 1 15 15 GLY HA2 H 1 3.963 0.008 . 2 . . . . 15 GLY HA . 16590 1 78 . 1 1 15 15 GLY HA3 H 1 3.963 0.008 . 2 . . . . 15 GLY HA . 16590 1 79 . 1 1 15 15 GLY CA C 13 45.320 0.000 . 1 . . . . 15 GLY CA . 16590 1 80 . 1 1 15 15 GLY N N 15 109.149 0.009 . 1 . . . . 15 GLY N . 16590 1 81 . 1 1 16 16 LYS H H 1 8.074 0.002 . 1 . . . . 16 LYS H . 16590 1 82 . 1 1 16 16 LYS HA H 1 4.578 0.000 . 1 . . . . 16 LYS HA . 16590 1 83 . 1 1 16 16 LYS HB2 H 1 1.688 0.004 . 2 . . . . 16 LYS HB . 16590 1 84 . 1 1 16 16 LYS HB3 H 1 1.688 0.004 . 2 . . . . 16 LYS HB . 16590 1 85 . 1 1 16 16 LYS HE2 H 1 2.958 0.000 . 2 . . . . 16 LYS HE . 16590 1 86 . 1 1 16 16 LYS HE3 H 1 2.958 0.000 . 2 . . . . 16 LYS HE . 16590 1 87 . 1 1 16 16 LYS HG2 H 1 1.313 0.001 . 2 . . . . 16 LYS HG . 16590 1 88 . 1 1 16 16 LYS HG3 H 1 1.313 0.001 . 2 . . . . 16 LYS HG . 16590 1 89 . 1 1 16 16 LYS CA C 13 55.830 0.000 . 1 . . . . 16 LYS CA . 16590 1 90 . 1 1 16 16 LYS CB C 13 34.140 0.000 . 1 . . . . 16 LYS CB . 16590 1 91 . 1 1 16 16 LYS N N 15 120.125 0.029 . 1 . . . . 16 LYS N . 16590 1 92 . 1 1 17 17 LEU H H 1 8.501 0.002 . 1 . . . . 17 LEU H . 16590 1 93 . 1 1 17 17 LEU HA H 1 4.664 0.000 . 1 . . . . 17 LEU HA . 16590 1 94 . 1 1 17 17 LEU HB2 H 1 1.465 0.003 . 2 . . . . 17 LEU HB . 16590 1 95 . 1 1 17 17 LEU HB3 H 1 1.465 0.003 . 2 . . . . 17 LEU HB . 16590 1 96 . 1 1 17 17 LEU HD11 H 1 0.602 0.001 . . . . . . 17 LEU HD . 16590 1 97 . 1 1 17 17 LEU HD12 H 1 0.602 0.001 . . . . . . 17 LEU HD . 16590 1 98 . 1 1 17 17 LEU HD13 H 1 0.602 0.001 . . . . . . 17 LEU HD . 16590 1 99 . 1 1 17 17 LEU HD21 H 1 0.602 0.001 . . . . . . 17 LEU HD . 16590 1 100 . 1 1 17 17 LEU HD22 H 1 0.602 0.001 . . . . . . 17 LEU HD . 16590 1 101 . 1 1 17 17 LEU HD23 H 1 0.602 0.001 . . . . . . 17 LEU HD . 16590 1 102 . 1 1 17 17 LEU HG H 1 1.477 0.000 . 1 . . . . 17 LEU HG . 16590 1 103 . 1 1 17 17 LEU CA C 13 54.460 0.000 . 1 . . . . 17 LEU CA . 16590 1 104 . 1 1 17 17 LEU CB C 13 44.280 0.000 . 1 . . . . 17 LEU CB . 16590 1 105 . 1 1 17 17 LEU CD1 C 13 24.930 0.000 . 2 . . . . 17 LEU CD1 . 16590 1 106 . 1 1 17 17 LEU CG C 13 27.100 0.000 . 1 . . . . 17 LEU CG . 16590 1 107 . 1 1 17 17 LEU N N 15 123.164 0.017 . 1 . . . . 17 LEU N . 16590 1 108 . 1 1 18 18 ASN H H 1 8.686 0.004 . 1 . . . . 18 ASN H . 16590 1 109 . 1 1 18 18 ASN HA H 1 5.025 0.006 . 1 . . . . 18 ASN HA . 16590 1 110 . 1 1 18 18 ASN HB2 H 1 3.213 0.002 . 2 . . . . 18 ASN HB2 . 16590 1 111 . 1 1 18 18 ASN HB3 H 1 2.970 0.002 . 2 . . . . 18 ASN HB3 . 16590 1 112 . 1 1 18 18 ASN HD21 H 1 7.537 0.002 . 2 . . . . 18 ASN HD21 . 16590 1 113 . 1 1 18 18 ASN HD22 H 1 6.950 0.003 . 2 . . . . 18 ASN HD22 . 16590 1 114 . 1 1 18 18 ASN CA C 13 51.698 0.002 . 1 . . . . 18 ASN CA . 16590 1 115 . 1 1 18 18 ASN CB C 13 39.341 0.004 . 1 . . . . 18 ASN CB . 16590 1 116 . 1 1 18 18 ASN N N 15 121.058 0.017 . 1 . . . . 18 ASN N . 16590 1 117 . 1 1 18 18 ASN ND2 N 15 111.885 0.027 . 1 . . . . 18 ASN ND2 . 16590 1 118 . 1 1 19 19 PHE H H 1 8.659 0.002 . 1 . . . . 19 PHE H . 16590 1 119 . 1 1 19 19 PHE HA H 1 3.789 0.005 . 1 . . . . 19 PHE HA . 16590 1 120 . 1 1 19 19 PHE HB2 H 1 2.779 0.004 . 2 . . . . 19 PHE HB2 . 16590 1 121 . 1 1 19 19 PHE HB3 H 1 2.571 0.004 . 2 . . . . 19 PHE HB3 . 16590 1 122 . 1 1 19 19 PHE HE1 H 1 6.643 0.007 . 3 . . . . 19 PHE QE . 16590 1 123 . 1 1 19 19 PHE HE2 H 1 6.643 0.007 . 3 . . . . 19 PHE QE . 16590 1 124 . 1 1 19 19 PHE CA C 13 61.089 0.003 . 1 . . . . 19 PHE CA . 16590 1 125 . 1 1 19 19 PHE CB C 13 38.648 0.002 . 1 . . . . 19 PHE CB . 16590 1 126 . 1 1 19 19 PHE CE1 C 13 139.048 0.172 . 3 . . . . 19 PHE CE1 . 16590 1 127 . 1 1 19 19 PHE N N 15 120.349 0.014 . 1 . . . . 19 PHE N . 16590 1 128 . 1 1 20 20 ASP H H 1 8.227 0.001 . 1 . . . . 20 ASP H . 16590 1 129 . 1 1 20 20 ASP HA H 1 4.212 0.003 . 1 . . . . 20 ASP HA . 16590 1 130 . 1 1 20 20 ASP HB2 H 1 2.698 0.005 . 2 . . . . 20 ASP HB2 . 16590 1 131 . 1 1 20 20 ASP HB3 H 1 2.642 0.003 . 2 . . . . 20 ASP HB3 . 16590 1 132 . 1 1 20 20 ASP CA C 13 57.810 0.000 . 1 . . . . 20 ASP CA . 16590 1 133 . 1 1 20 20 ASP CB C 13 40.560 0.000 . 1 . . . . 20 ASP CB . 16590 1 134 . 1 1 20 20 ASP N N 15 118.655 0.015 . 1 . . . . 20 ASP N . 16590 1 135 . 1 1 21 21 GLU H H 1 8.148 0.003 . 1 . . . . 21 GLU H . 16590 1 136 . 1 1 21 21 GLU HA H 1 4.019 0.001 . 1 . . . . 21 GLU HA . 16590 1 137 . 1 1 21 21 GLU HB2 H 1 2.168 0.002 . 2 . . . . 21 GLU HB2 . 16590 1 138 . 1 1 21 21 GLU HB3 H 1 2.014 0.002 . 2 . . . . 21 GLU HB3 . 16590 1 139 . 1 1 21 21 GLU HG2 H 1 2.445 0.003 . 2 . . . . 21 GLU HG2 . 16590 1 140 . 1 1 21 21 GLU HG3 H 1 2.248 0.000 . 2 . . . . 21 GLU HG3 . 16590 1 141 . 1 1 21 21 GLU CA C 13 59.130 0.000 . 1 . . . . 21 GLU CA . 16590 1 142 . 1 1 21 21 GLU CB C 13 30.130 0.000 . 1 . . . . 21 GLU CB . 16590 1 143 . 1 1 21 21 GLU CG C 13 36.530 0.000 . 1 . . . . 21 GLU CG . 16590 1 144 . 1 1 21 21 GLU N N 15 119.950 0.018 . 1 . . . . 21 GLU N . 16590 1 145 . 1 1 22 22 LEU H H 1 8.083 0.002 . 1 . . . . 22 LEU H . 16590 1 146 . 1 1 22 22 LEU HA H 1 4.141 0.002 . 1 . . . . 22 LEU HA . 16590 1 147 . 1 1 22 22 LEU HB2 H 1 1.740 0.004 . 2 . . . . 22 LEU HB2 . 16590 1 148 . 1 1 22 22 LEU HB3 H 1 1.626 0.000 . 2 . . . . 22 LEU HB3 . 16590 1 149 . 1 1 22 22 LEU HD11 H 1 0.913 0.002 . 2 . . . . 22 LEU HD1 . 16590 1 150 . 1 1 22 22 LEU HD12 H 1 0.913 0.002 . 2 . . . . 22 LEU HD1 . 16590 1 151 . 1 1 22 22 LEU HD13 H 1 0.913 0.002 . 2 . . . . 22 LEU HD1 . 16590 1 152 . 1 1 22 22 LEU HG H 1 1.615 0.002 . 1 . . . . 22 LEU HG . 16590 1 153 . 1 1 22 22 LEU CA C 13 57.730 0.000 . 1 . . . . 22 LEU CA . 16590 1 154 . 1 1 22 22 LEU CB C 13 41.740 0.000 . 1 . . . . 22 LEU CB . 16590 1 155 . 1 1 22 22 LEU CD1 C 13 24.500 0.000 . 2 . . . . 22 LEU CD1 . 16590 1 156 . 1 1 22 22 LEU N N 15 121.804 0.029 . 1 . . . . 22 LEU N . 16590 1 157 . 1 1 23 23 ARG H H 1 8.711 0.003 . 1 . . . . 23 ARG H . 16590 1 158 . 1 1 23 23 ARG HA H 1 3.754 0.003 . 1 . . . . 23 ARG HA . 16590 1 159 . 1 1 23 23 ARG HB2 H 1 1.777 0.006 . 2 . . . . 23 ARG HB2 . 16590 1 160 . 1 1 23 23 ARG HB3 H 1 1.499 0.008 . 2 . . . . 23 ARG HB3 . 16590 1 161 . 1 1 23 23 ARG HD2 H 1 3.156 0.001 . 2 . . . . 23 ARG HD . 16590 1 162 . 1 1 23 23 ARG HD3 H 1 3.156 0.001 . 2 . . . . 23 ARG HD . 16590 1 163 . 1 1 23 23 ARG HE H 1 6.997 0.000 . 1 . . . . 23 ARG HE . 16590 1 164 . 1 1 23 23 ARG HG2 H 1 1.541 0.000 . 2 . . . . 23 ARG HG2 . 16590 1 165 . 1 1 23 23 ARG HG3 H 1 1.452 0.007 . 2 . . . . 23 ARG HG3 . 16590 1 166 . 1 1 23 23 ARG CA C 13 60.250 0.000 . 1 . . . . 23 ARG CA . 16590 1 167 . 1 1 23 23 ARG CB C 13 29.619 0.002 . 1 . . . . 23 ARG CB . 16590 1 168 . 1 1 23 23 ARG CD C 13 43.530 0.000 . 1 . . . . 23 ARG CD . 16590 1 169 . 1 1 23 23 ARG CG C 13 27.570 0.000 . 1 . . . . 23 ARG CG . 16590 1 170 . 1 1 23 23 ARG N N 15 119.359 0.004 . 1 . . . . 23 ARG N . 16590 1 171 . 1 1 24 24 GLN H H 1 7.683 0.001 . 1 . . . . 24 GLN H . 16590 1 172 . 1 1 24 24 GLN HA H 1 3.982 0.003 . 1 . . . . 24 GLN HA . 16590 1 173 . 1 1 24 24 GLN HB2 H 1 2.163 0.002 . 2 . . . . 24 GLN HB . 16590 1 174 . 1 1 24 24 GLN HB3 H 1 2.163 0.002 . 2 . . . . 24 GLN HB . 16590 1 175 . 1 1 24 24 GLN HE21 H 1 7.359 0.001 . 2 . . . . 24 GLN HE21 . 16590 1 176 . 1 1 24 24 GLN HE22 H 1 6.898 0.002 . 2 . . . . 24 GLN HE22 . 16590 1 177 . 1 1 24 24 GLN HG2 H 1 2.488 0.003 . 2 . . . . 24 GLN HG2 . 16590 1 178 . 1 1 24 24 GLN CA C 13 58.900 0.000 . 1 . . . . 24 GLN CA . 16590 1 179 . 1 1 24 24 GLN CB C 13 28.456 0.000 . 1 . . . . 24 GLN CB . 16590 1 180 . 1 1 24 24 GLN CG C 13 33.741 0.002 . 1 . . . . 24 GLN CG . 16590 1 181 . 1 1 24 24 GLN N N 15 116.475 0.012 . 1 . . . . 24 GLN N . 16590 1 182 . 1 1 24 24 GLN NE2 N 15 113.251 0.028 . 1 . . . . 24 GLN NE2 . 16590 1 183 . 1 1 25 25 ASP H H 1 7.669 0.003 . 1 . . . . 25 ASP H . 16590 1 184 . 1 1 25 25 ASP HA H 1 4.445 0.001 . 1 . . . . 25 ASP HA . 16590 1 185 . 1 1 25 25 ASP HB2 H 1 2.806 0.005 . 2 . . . . 25 ASP HB . 16590 1 186 . 1 1 25 25 ASP HB3 H 1 2.806 0.005 . 2 . . . . 25 ASP HB . 16590 1 187 . 1 1 25 25 ASP CA C 13 57.070 0.000 . 1 . . . . 25 ASP CA . 16590 1 188 . 1 1 25 25 ASP CB C 13 42.010 0.000 . 1 . . . . 25 ASP CB . 16590 1 189 . 1 1 25 25 ASP N N 15 120.032 0.016 . 1 . . . . 25 ASP N . 16590 1 190 . 1 1 26 26 LEU H H 1 8.486 0.002 . 1 . . . . 26 LEU H . 16590 1 191 . 1 1 26 26 LEU HA H 1 4.187 0.003 . 1 . . . . 26 LEU HA . 16590 1 192 . 1 1 26 26 LEU HB2 H 1 1.776 0.005 . 2 . . . . 26 LEU HB2 . 16590 1 193 . 1 1 26 26 LEU HB3 H 1 1.275 0.002 . 2 . . . . 26 LEU HB3 . 16590 1 194 . 1 1 26 26 LEU HD11 H 1 0.712 0.000 . 2 . . . . 26 LEU HD1 . 16590 1 195 . 1 1 26 26 LEU HD12 H 1 0.712 0.000 . 2 . . . . 26 LEU HD1 . 16590 1 196 . 1 1 26 26 LEU HD13 H 1 0.712 0.000 . 2 . . . . 26 LEU HD1 . 16590 1 197 . 1 1 26 26 LEU HD21 H 1 0.712 0.000 . 2 . . . . 26 LEU HD2 . 16590 1 198 . 1 1 26 26 LEU HD22 H 1 0.712 0.000 . 2 . . . . 26 LEU HD2 . 16590 1 199 . 1 1 26 26 LEU HD23 H 1 0.712 0.000 . 2 . . . . 26 LEU HD2 . 16590 1 200 . 1 1 26 26 LEU HG H 1 1.881 0.000 . 1 . . . . 26 LEU HG . 16590 1 201 . 1 1 26 26 LEU CA C 13 57.457 0.000 . 1 . . . . 26 LEU CA . 16590 1 202 . 1 1 26 26 LEU CB C 13 41.755 0.016 . 1 . . . . 26 LEU CB . 16590 1 203 . 1 1 26 26 LEU CD1 C 13 26.390 0.000 . 2 . . . . 26 LEU CD1 . 16590 1 204 . 1 1 26 26 LEU CD2 C 13 22.284 0.012 . 2 . . . . 26 LEU CD2 . 16590 1 205 . 1 1 26 26 LEU CG C 13 27.130 0.000 . 1 . . . . 26 LEU CG . 16590 1 206 . 1 1 26 26 LEU N N 15 117.121 0.011 . 1 . . . . 26 LEU N . 16590 1 207 . 1 1 27 27 LYS H H 1 8.743 0.001 . 1 . . . . 27 LYS H . 16590 1 208 . 1 1 27 27 LYS HA H 1 4.368 0.003 . 1 . . . . 27 LYS HA . 16590 1 209 . 1 1 27 27 LYS HB2 H 1 1.895 0.005 . 2 . . . . 27 LYS HB . 16590 1 210 . 1 1 27 27 LYS HB3 H 1 1.895 0.005 . 2 . . . . 27 LYS HB . 16590 1 211 . 1 1 27 27 LYS HD2 H 1 1.587 0.005 . 2 . . . . 27 LYS HD . 16590 1 212 . 1 1 27 27 LYS HD3 H 1 1.587 0.005 . 2 . . . . 27 LYS HD . 16590 1 213 . 1 1 27 27 LYS HE2 H 1 2.997 0.002 . 2 . . . . 27 LYS HE . 16590 1 214 . 1 1 27 27 LYS HE3 H 1 2.997 0.002 . 2 . . . . 27 LYS HE . 16590 1 215 . 1 1 27 27 LYS HG2 H 1 1.479 0.003 . 2 . . . . 27 LYS HG . 16590 1 216 . 1 1 27 27 LYS HG3 H 1 1.479 0.003 . 2 . . . . 27 LYS HG . 16590 1 217 . 1 1 27 27 LYS CA C 13 59.300 0.000 . 1 . . . . 27 LYS CA . 16590 1 218 . 1 1 27 27 LYS CB C 13 31.441 0.005 . 1 . . . . 27 LYS CB . 16590 1 219 . 1 1 27 27 LYS CD C 13 28.520 0.000 . 1 . . . . 27 LYS CD . 16590 1 220 . 1 1 27 27 LYS CE C 13 41.480 0.000 . 1 . . . . 27 LYS CE . 16590 1 221 . 1 1 27 27 LYS CG C 13 24.640 0.000 . 1 . . . . 27 LYS CG . 16590 1 222 . 1 1 27 27 LYS N N 15 122.649 0.010 . 1 . . . . 27 LYS N . 16590 1 223 . 1 1 28 28 GLY H H 1 8.022 0.003 . 1 . . . . 28 GLY H . 16590 1 224 . 1 1 28 28 GLY HA2 H 1 4.065 0.003 . 2 . . . . 28 GLY HA . 16590 1 225 . 1 1 28 28 GLY HA3 H 1 4.065 0.003 . 2 . . . . 28 GLY HA . 16590 1 226 . 1 1 28 28 GLY CA C 13 46.380 0.000 . 1 . . . . 28 GLY CA . 16590 1 227 . 1 1 28 28 GLY N N 15 108.371 0.013 . 1 . . . . 28 GLY N . 16590 1 228 . 1 1 29 29 LYS H H 1 7.449 0.002 . 1 . . . . 29 LYS H . 16590 1 229 . 1 1 29 29 LYS HA H 1 4.428 0.003 . 1 . . . . 29 LYS HA . 16590 1 230 . 1 1 29 29 LYS HB2 H 1 2.276 0.003 . 2 . . . . 29 LYS HB . 16590 1 231 . 1 1 29 29 LYS HB3 H 1 2.276 0.003 . 2 . . . . 29 LYS HB . 16590 1 232 . 1 1 29 29 LYS HD2 H 1 1.863 0.003 . 2 . . . . 29 LYS HD . 16590 1 233 . 1 1 29 29 LYS HD3 H 1 1.863 0.003 . 2 . . . . 29 LYS HD . 16590 1 234 . 1 1 29 29 LYS HE2 H 1 3.003 0.001 . 2 . . . . 29 LYS HE . 16590 1 235 . 1 1 29 29 LYS HE3 H 1 3.003 0.001 . 2 . . . . 29 LYS HE . 16590 1 236 . 1 1 29 29 LYS HG2 H 1 1.609 0.001 . 2 . . . . 29 LYS HG2 . 16590 1 237 . 1 1 29 29 LYS HG3 H 1 1.500 0.002 . 2 . . . . 29 LYS HG3 . 16590 1 238 . 1 1 29 29 LYS CA C 13 55.930 0.000 . 1 . . . . 29 LYS CA . 16590 1 239 . 1 1 29 29 LYS CB C 13 33.430 0.000 . 1 . . . . 29 LYS CB . 16590 1 240 . 1 1 29 29 LYS CE C 13 42.300 0.000 . 1 . . . . 29 LYS CE . 16590 1 241 . 1 1 29 29 LYS CG C 13 25.670 0.000 . 1 . . . . 29 LYS CG . 16590 1 242 . 1 1 29 29 LYS N N 15 118.743 0.028 . 1 . . . . 29 LYS N . 16590 1 243 . 1 1 30 30 GLY H H 1 7.846 0.002 . 1 . . . . 30 GLY H . 16590 1 244 . 1 1 30 30 GLY HA2 H 1 4.164 0.001 . 2 . . . . 30 GLY HA2 . 16590 1 245 . 1 1 30 30 GLY HA3 H 1 3.705 0.001 . 2 . . . . 30 GLY HA3 . 16590 1 246 . 1 1 30 30 GLY CA C 13 45.560 0.000 . 1 . . . . 30 GLY CA . 16590 1 247 . 1 1 30 30 GLY N N 15 106.426 0.011 . 1 . . . . 30 GLY N . 16590 1 248 . 1 1 31 31 HIS H H 1 7.561 0.002 . 1 . . . . 31 HIS H . 16590 1 249 . 1 1 31 31 HIS HA H 1 4.810 0.013 . 1 . . . . 31 HIS HA . 16590 1 250 . 1 1 31 31 HIS HB2 H 1 3.063 0.002 . 2 . . . . 31 HIS HB2 . 16590 1 251 . 1 1 31 31 HIS HB3 H 1 2.647 0.003 . 2 . . . . 31 HIS HB3 . 16590 1 252 . 1 1 31 31 HIS HD2 H 1 7.076 0.001 . 1 . . . . 31 HIS HD2 . 16590 1 253 . 1 1 31 31 HIS HE1 H 1 7.033 0.003 . 1 . . . . 31 HIS HE1 . 16590 1 254 . 1 1 31 31 HIS CA C 13 55.990 0.000 . 1 . . . . 31 HIS CA . 16590 1 255 . 1 1 31 31 HIS CB C 13 30.240 0.000 . 1 . . . . 31 HIS CB . 16590 1 256 . 1 1 31 31 HIS CD2 C 13 131.980 0.131 . 1 . . . . 31 HIS CD2 . 16590 1 257 . 1 1 31 31 HIS N N 15 119.059 0.022 . 1 . . . . 31 HIS N . 16590 1 258 . 1 1 32 32 THR H H 1 8.824 0.002 . 1 . . . . 32 THR H . 16590 1 259 . 1 1 32 32 THR HA H 1 4.479 0.003 . 1 . . . . 32 THR HA . 16590 1 260 . 1 1 32 32 THR HB H 1 4.754 0.000 . 1 . . . . 32 THR HB . 16590 1 261 . 1 1 32 32 THR HG21 H 1 1.386 0.001 . . . . . . 32 THR HG2 . 16590 1 262 . 1 1 32 32 THR HG22 H 1 1.386 0.001 . . . . . . 32 THR HG2 . 16590 1 263 . 1 1 32 32 THR HG23 H 1 1.386 0.001 . . . . . . 32 THR HG2 . 16590 1 264 . 1 1 32 32 THR CA C 13 60.720 0.000 . 1 . . . . 32 THR CA . 16590 1 265 . 1 1 32 32 THR CB C 13 71.150 0.000 . 1 . . . . 32 THR CB . 16590 1 266 . 1 1 32 32 THR CG2 C 13 21.960 0.000 . 1 . . . . 32 THR CG2 . 16590 1 267 . 1 1 32 32 THR N N 15 113.697 0.009 . 1 . . . . 32 THR N . 16590 1 268 . 1 1 33 33 ASP H H 1 8.887 0.001 . 1 . . . . 33 ASP H . 16590 1 269 . 1 1 33 33 ASP HA H 1 4.384 0.006 . 1 . . . . 33 ASP HA . 16590 1 270 . 1 1 33 33 ASP HB2 H 1 2.759 0.002 . 2 . . . . 33 ASP HB2 . 16590 1 271 . 1 1 33 33 ASP HB3 H 1 2.651 0.001 . 2 . . . . 33 ASP HB3 . 16590 1 272 . 1 1 33 33 ASP CA C 13 58.353 0.000 . 1 . . . . 33 ASP CA . 16590 1 273 . 1 1 33 33 ASP CB C 13 40.190 0.000 . 1 . . . . 33 ASP CB . 16590 1 274 . 1 1 33 33 ASP N N 15 120.915 0.004 . 1 . . . . 33 ASP N . 16590 1 275 . 1 1 34 34 ALA H H 1 8.469 0.004 . 1 . . . . 34 ALA H . 16590 1 276 . 1 1 34 34 ALA HA H 1 4.199 0.001 . 1 . . . . 34 ALA HA . 16590 1 277 . 1 1 34 34 ALA HB1 H 1 1.441 0.002 . 1 . . . . 34 ALA HB . 16590 1 278 . 1 1 34 34 ALA HB2 H 1 1.441 0.002 . 1 . . . . 34 ALA HB . 16590 1 279 . 1 1 34 34 ALA HB3 H 1 1.441 0.002 . 1 . . . . 34 ALA HB . 16590 1 280 . 1 1 34 34 ALA CA C 13 55.310 0.000 . 1 . . . . 34 ALA CA . 16590 1 281 . 1 1 34 34 ALA CB C 13 18.210 0.000 . 1 . . . . 34 ALA CB . 16590 1 282 . 1 1 34 34 ALA N N 15 121.261 0.015 . 1 . . . . 34 ALA N . 16590 1 283 . 1 1 35 35 GLU H H 1 7.800 0.002 . 1 . . . . 35 GLU H . 16590 1 284 . 1 1 35 35 GLU HA H 1 4.056 0.002 . 1 . . . . 35 GLU HA . 16590 1 285 . 1 1 35 35 GLU HB2 H 1 2.054 0.005 . 2 . . . . 35 GLU HB . 16590 1 286 . 1 1 35 35 GLU HB3 H 1 2.054 0.005 . 2 . . . . 35 GLU HB . 16590 1 287 . 1 1 35 35 GLU HG2 H 1 2.501 0.013 . 2 . . . . 35 GLU HG2 . 16590 1 288 . 1 1 35 35 GLU HG3 H 1 2.398 0.003 . 2 . . . . 35 GLU HG3 . 16590 1 289 . 1 1 35 35 GLU CA C 13 59.080 0.000 . 1 . . . . 35 GLU CA . 16590 1 290 . 1 1 35 35 GLU CB C 13 30.110 0.000 . 1 . . . . 35 GLU CB . 16590 1 291 . 1 1 35 35 GLU N N 15 119.865 0.014 . 1 . . . . 35 GLU N . 16590 1 292 . 1 1 36 36 ILE H H 1 8.383 0.001 . 1 . . . . 36 ILE H . 16590 1 293 . 1 1 36 36 ILE HA H 1 3.402 0.005 . 1 . . . . 36 ILE HA . 16590 1 294 . 1 1 36 36 ILE HB H 1 1.953 0.004 . 1 . . . . 36 ILE HB . 16590 1 295 . 1 1 36 36 ILE HD11 H 1 0.784 0.000 . 1 . . . . 36 ILE HD1 . 16590 1 296 . 1 1 36 36 ILE HD12 H 1 0.784 0.000 . 1 . . . . 36 ILE HD1 . 16590 1 297 . 1 1 36 36 ILE HD13 H 1 0.784 0.000 . 1 . . . . 36 ILE HD1 . 16590 1 298 . 1 1 36 36 ILE HG12 H 1 1.874 0.000 . 2 . . . . 36 ILE HG12 . 16590 1 299 . 1 1 36 36 ILE HG13 H 1 0.725 0.000 . 2 . . . . 36 ILE HG13 . 16590 1 300 . 1 1 36 36 ILE HG21 H 1 0.638 0.006 . 1 . . . . 36 ILE HG2 . 16590 1 301 . 1 1 36 36 ILE HG22 H 1 0.638 0.006 . 1 . . . . 36 ILE HG2 . 16590 1 302 . 1 1 36 36 ILE HG23 H 1 0.638 0.006 . 1 . . . . 36 ILE HG2 . 16590 1 303 . 1 1 36 36 ILE CA C 13 65.840 0.000 . 1 . . . . 36 ILE CA . 16590 1 304 . 1 1 36 36 ILE CB C 13 38.018 0.003 . 1 . . . . 36 ILE CB . 16590 1 305 . 1 1 36 36 ILE CD1 C 13 14.831 0.001 . 1 . . . . 36 ILE CD1 . 16590 1 306 . 1 1 36 36 ILE CG1 C 13 29.631 0.002 . 1 . . . . 36 ILE CG1 . 16590 1 307 . 1 1 36 36 ILE CG2 C 13 17.500 0.000 . 1 . . . . 36 ILE CG2 . 16590 1 308 . 1 1 36 36 ILE N N 15 120.572 0.017 . 1 . . . . 36 ILE N . 16590 1 309 . 1 1 37 37 GLU H H 1 8.209 0.003 . 1 . . . . 37 GLU H . 16590 1 310 . 1 1 37 37 GLU HA H 1 4.051 0.000 . 1 . . . . 37 GLU HA . 16590 1 311 . 1 1 37 37 GLU HB2 H 1 2.124 0.002 . 2 . . . . 37 GLU HB . 16590 1 312 . 1 1 37 37 GLU HB3 H 1 2.124 0.002 . 2 . . . . 37 GLU HB . 16590 1 313 . 1 1 37 37 GLU HG2 H 1 2.392 0.005 . 2 . . . . 37 GLU HG2 . 16590 1 314 . 1 1 37 37 GLU HG3 H 1 2.255 0.004 . 2 . . . . 37 GLU HG3 . 16590 1 315 . 1 1 37 37 GLU CA C 13 59.920 0.000 . 1 . . . . 37 GLU CA . 16590 1 316 . 1 1 37 37 GLU CB C 13 29.460 0.000 . 1 . . . . 37 GLU CB . 16590 1 317 . 1 1 37 37 GLU CG C 13 36.310 0.000 . 1 . . . . 37 GLU CG . 16590 1 318 . 1 1 37 37 GLU N N 15 119.147 0.012 . 1 . . . . 37 GLU N . 16590 1 319 . 1 1 38 38 ALA H H 1 7.630 0.001 . 1 . . . . 38 ALA H . 16590 1 320 . 1 1 38 38 ALA HA H 1 4.184 0.004 . 1 . . . . 38 ALA HA . 16590 1 321 . 1 1 38 38 ALA HB1 H 1 1.541 0.001 . 1 . . . . 38 ALA HB . 16590 1 322 . 1 1 38 38 ALA HB2 H 1 1.541 0.001 . 1 . . . . 38 ALA HB . 16590 1 323 . 1 1 38 38 ALA HB3 H 1 1.541 0.001 . 1 . . . . 38 ALA HB . 16590 1 324 . 1 1 38 38 ALA CA C 13 55.180 0.000 . 1 . . . . 38 ALA CA . 16590 1 325 . 1 1 38 38 ALA CB C 13 18.050 0.000 . 1 . . . . 38 ALA CB . 16590 1 326 . 1 1 38 38 ALA N N 15 121.299 0.022 . 1 . . . . 38 ALA N . 16590 1 327 . 1 1 39 39 ILE H H 1 8.260 0.003 . 1 . . . . 39 ILE H . 16590 1 328 . 1 1 39 39 ILE HA H 1 3.804 0.003 . 1 . . . . 39 ILE HA . 16590 1 329 . 1 1 39 39 ILE HB H 1 1.920 0.006 . 1 . . . . 39 ILE HB . 16590 1 330 . 1 1 39 39 ILE HD11 H 1 0.617 0.002 . 1 . . . . 39 ILE HD1 . 16590 1 331 . 1 1 39 39 ILE HD12 H 1 0.617 0.002 . 1 . . . . 39 ILE HD1 . 16590 1 332 . 1 1 39 39 ILE HD13 H 1 0.617 0.002 . 1 . . . . 39 ILE HD1 . 16590 1 333 . 1 1 39 39 ILE HG12 H 1 1.129 0.004 . 2 . . . . 39 ILE HG12 . 16590 1 334 . 1 1 39 39 ILE HG13 H 1 1.852 0.000 . 2 . . . . 39 ILE HG13 . 16590 1 335 . 1 1 39 39 ILE HG21 H 1 1.009 0.002 . 1 . . . . 39 ILE HG2 . 16590 1 336 . 1 1 39 39 ILE HG22 H 1 1.009 0.002 . 1 . . . . 39 ILE HG2 . 16590 1 337 . 1 1 39 39 ILE HG23 H 1 1.009 0.002 . 1 . . . . 39 ILE HG2 . 16590 1 338 . 1 1 39 39 ILE CA C 13 65.358 0.003 . 1 . . . . 39 ILE CA . 16590 1 339 . 1 1 39 39 ILE CB C 13 38.479 0.001 . 1 . . . . 39 ILE CB . 16590 1 340 . 1 1 39 39 ILE CD1 C 13 13.650 0.000 . 1 . . . . 39 ILE CD1 . 16590 1 341 . 1 1 39 39 ILE CG1 C 13 30.140 0.000 . 1 . . . . 39 ILE CG1 . 16590 1 342 . 1 1 39 39 ILE CG2 C 13 17.980 0.000 . 1 . . . . 39 ILE CG2 . 16590 1 343 . 1 1 39 39 ILE N N 15 121.421 0.099 . 1 . . . . 39 ILE N . 16590 1 344 . 1 1 40 40 PHE H H 1 8.608 0.002 . 1 . . . . 40 PHE H . 16590 1 345 . 1 1 40 40 PHE HA H 1 4.056 0.001 . 1 . . . . 40 PHE HA . 16590 1 346 . 1 1 40 40 PHE HB2 H 1 3.243 0.008 . 2 . . . . 40 PHE HB2 . 16590 1 347 . 1 1 40 40 PHE HB3 H 1 3.179 0.006 . 2 . . . . 40 PHE HB3 . 16590 1 348 . 1 1 40 40 PHE HD1 H 1 6.986 0.002 . 3 . . . . 40 PHE HD1 . 16590 1 349 . 1 1 40 40 PHE HE1 H 1 7.048 0.003 . 3 . . . . 40 PHE QE . 16590 1 350 . 1 1 40 40 PHE HE2 H 1 7.048 0.003 . 3 . . . . 40 PHE QE . 16590 1 351 . 1 1 40 40 PHE CA C 13 61.601 0.000 . 1 . . . . 40 PHE CA . 16590 1 352 . 1 1 40 40 PHE CB C 13 38.890 0.000 . 1 . . . . 40 PHE CB . 16590 1 353 . 1 1 40 40 PHE CD1 C 13 136.728 0.000 . 3 . . . . 40 PHE CD1 . 16590 1 354 . 1 1 40 40 PHE CE1 C 13 138.885 0.015 . 3 . . . . 40 PHE CE1 . 16590 1 355 . 1 1 40 40 PHE N N 15 120.367 0.010 . 1 . . . . 40 PHE N . 16590 1 356 . 1 1 41 41 THR H H 1 8.085 0.001 . 1 . . . . 41 THR H . 16590 1 357 . 1 1 41 41 THR HA H 1 3.992 0.002 . 1 . . . . 41 THR HA . 16590 1 358 . 1 1 41 41 THR HB H 1 4.239 0.001 . 1 . . . . 41 THR HB . 16590 1 359 . 1 1 41 41 THR HG21 H 1 1.321 0.003 . . . . . . 41 THR HG2 . 16590 1 360 . 1 1 41 41 THR HG22 H 1 1.321 0.003 . . . . . . 41 THR HG2 . 16590 1 361 . 1 1 41 41 THR HG23 H 1 1.321 0.003 . . . . . . 41 THR HG2 . 16590 1 362 . 1 1 41 41 THR CA C 13 65.950 0.000 . 1 . . . . 41 THR CA . 16590 1 363 . 1 1 41 41 THR CB C 13 69.310 0.000 . 1 . . . . 41 THR CB . 16590 1 364 . 1 1 41 41 THR CG2 C 13 21.800 0.000 . 1 . . . . 41 THR CG2 . 16590 1 365 . 1 1 41 41 THR N N 15 111.236 0.021 . 1 . . . . 41 THR N . 16590 1 366 . 1 1 42 42 LYS H H 1 7.652 0.002 . 1 . . . . 42 LYS H . 16590 1 367 . 1 1 42 42 LYS HA H 1 3.859 0.002 . 1 . . . . 42 LYS HA . 16590 1 368 . 1 1 42 42 LYS HB2 H 1 1.696 0.004 . 2 . . . . 42 LYS HB . 16590 1 369 . 1 1 42 42 LYS HB3 H 1 1.696 0.004 . 2 . . . . 42 LYS HB . 16590 1 370 . 1 1 42 42 LYS HD2 H 1 1.450 0.002 . 2 . . . . 42 LYS HD . 16590 1 371 . 1 1 42 42 LYS HD3 H 1 1.450 0.002 . 2 . . . . 42 LYS HD . 16590 1 372 . 1 1 42 42 LYS HE2 H 1 2.783 0.001 . 2 . . . . 42 LYS HE . 16590 1 373 . 1 1 42 42 LYS HE3 H 1 2.783 0.001 . 2 . . . . 42 LYS HE . 16590 1 374 . 1 1 42 42 LYS HG2 H 1 1.020 0.002 . 2 . . . . 42 LYS HG2 . 16590 1 375 . 1 1 42 42 LYS HG3 H 1 0.357 0.004 . 2 . . . . 42 LYS HG3 . 16590 1 376 . 1 1 42 42 LYS CA C 13 58.880 0.000 . 1 . . . . 42 LYS CA . 16590 1 377 . 1 1 42 42 LYS CB C 13 32.810 0.000 . 1 . . . . 42 LYS CB . 16590 1 378 . 1 1 42 42 LYS CD C 13 29.460 0.000 . 1 . . . . 42 LYS CD . 16590 1 379 . 1 1 42 42 LYS CE C 13 42.206 0.014 . 1 . . . . 42 LYS CE . 16590 1 380 . 1 1 42 42 LYS CG C 13 24.600 0.000 . 1 . . . . 42 LYS CG . 16590 1 381 . 1 1 42 42 LYS N N 15 121.073 0.028 . 1 . . . . 42 LYS N . 16590 1 382 . 1 1 43 43 TYR H H 1 7.534 0.003 . 1 . . . . 43 TYR H . 16590 1 383 . 1 1 43 43 TYR HA H 1 4.380 0.005 . 1 . . . . 43 TYR HA . 16590 1 384 . 1 1 43 43 TYR HB2 H 1 3.210 0.001 . 2 . . . . 43 TYR HB2 . 16590 1 385 . 1 1 43 43 TYR HB3 H 1 2.467 0.003 . 2 . . . . 43 TYR HB3 . 16590 1 386 . 1 1 43 43 TYR HD1 H 1 7.430 0.004 . 3 . . . . 43 TYR HD1 . 16590 1 387 . 1 1 43 43 TYR HE1 H 1 6.730 0.003 . 3 . . . . 43 TYR QE . 16590 1 388 . 1 1 43 43 TYR HE2 H 1 6.730 0.003 . 3 . . . . 43 TYR QE . 16590 1 389 . 1 1 43 43 TYR CA C 13 60.370 0.000 . 1 . . . . 43 TYR CA . 16590 1 390 . 1 1 43 43 TYR CB C 13 38.510 0.000 . 1 . . . . 43 TYR CB . 16590 1 391 . 1 1 43 43 TYR CD1 C 13 141.572 0.034 . 3 . . . . 43 TYR CD1 . 16590 1 392 . 1 1 43 43 TYR CE1 C 13 125.489 0.016 . 3 . . . . 43 TYR CE1 . 16590 1 393 . 1 1 43 43 TYR N N 15 113.687 0.020 . 1 . . . . 43 TYR N . 16590 1 394 . 1 1 44 44 ASP H H 1 7.793 0.002 . 1 . . . . 44 ASP H . 16590 1 395 . 1 1 44 44 ASP HA H 1 4.838 0.001 . 1 . . . . 44 ASP HA . 16590 1 396 . 1 1 44 44 ASP HB2 H 1 2.738 0.005 . 2 . . . . 44 ASP HB2 . 16590 1 397 . 1 1 44 44 ASP HB3 H 1 2.023 0.003 . 2 . . . . 44 ASP HB3 . 16590 1 398 . 1 1 44 44 ASP CA C 13 53.140 0.000 . 1 . . . . 44 ASP CA . 16590 1 399 . 1 1 44 44 ASP CB C 13 39.230 0.000 . 1 . . . . 44 ASP CB . 16590 1 400 . 1 1 44 44 ASP N N 15 120.907 0.011 . 1 . . . . 44 ASP N . 16590 1 401 . 1 1 45 45 GLN H H 1 8.120 0.002 . 1 . . . . 45 GLN H . 16590 1 402 . 1 1 45 45 GLN HA H 1 4.023 0.001 . 1 . . . . 45 GLN HA . 16590 1 403 . 1 1 45 45 GLN HB2 H 1 2.212 0.001 . 2 . . . . 45 GLN HB2 . 16590 1 404 . 1 1 45 45 GLN HB3 H 1 2.123 0.001 . 2 . . . . 45 GLN HB3 . 16590 1 405 . 1 1 45 45 GLN HE21 H 1 7.674 0.001 . 2 . . . . 45 GLN HE21 . 16590 1 406 . 1 1 45 45 GLN HE22 H 1 6.911 0.002 . 2 . . . . 45 GLN HE22 . 16590 1 407 . 1 1 45 45 GLN HG2 H 1 2.528 0.003 . 2 . . . . 45 GLN HG2 . 16590 1 408 . 1 1 45 45 GLN HG3 H 1 2.450 0.002 . 2 . . . . 45 GLN HG3 . 16590 1 409 . 1 1 45 45 GLN CA C 13 58.900 0.000 . 1 . . . . 45 GLN CA . 16590 1 410 . 1 1 45 45 GLN CB C 13 28.760 0.000 . 1 . . . . 45 GLN CB . 16590 1 411 . 1 1 45 45 GLN CG C 13 34.240 0.000 . 1 . . . . 45 GLN CG . 16590 1 412 . 1 1 45 45 GLN N N 15 124.212 0.019 . 1 . . . . 45 GLN N . 16590 1 413 . 1 1 45 45 GLN NE2 N 15 112.251 0.020 . 1 . . . . 45 GLN NE2 . 16590 1 414 . 1 1 46 46 ASP H H 1 8.192 0.002 . 1 . . . . 46 ASP H . 16590 1 415 . 1 1 46 46 ASP HA H 1 4.625 0.001 . 1 . . . . 46 ASP HA . 16590 1 416 . 1 1 46 46 ASP HB2 H 1 3.015 0.001 . 2 . . . . 46 ASP HB2 . 16590 1 417 . 1 1 46 46 ASP HB3 H 1 2.650 0.003 . 2 . . . . 46 ASP HB3 . 16590 1 418 . 1 1 46 46 ASP CA C 13 52.760 0.000 . 1 . . . . 46 ASP CA . 16590 1 419 . 1 1 46 46 ASP CB C 13 39.580 0.000 . 1 . . . . 46 ASP CB . 16590 1 420 . 1 1 46 46 ASP N N 15 114.730 0.018 . 1 . . . . 46 ASP N . 16590 1 421 . 1 1 47 47 GLY H H 1 7.568 0.004 . 1 . . . . 47 GLY H . 16590 1 422 . 1 1 47 47 GLY HA2 H 1 3.889 0.005 . 2 . . . . 47 GLY HA . 16590 1 423 . 1 1 47 47 GLY HA3 H 1 3.889 0.005 . 2 . . . . 47 GLY HA . 16590 1 424 . 1 1 47 47 GLY CA C 13 47.340 0.000 . 1 . . . . 47 GLY CA . 16590 1 425 . 1 1 47 47 GLY N N 15 108.379 0.007 . 1 . . . . 47 GLY N . 16590 1 426 . 1 1 48 48 ASP H H 1 8.098 0.002 . 1 . . . . 48 ASP H . 16590 1 427 . 1 1 48 48 ASP HA H 1 4.584 0.000 . 1 . . . . 48 ASP HA . 16590 1 428 . 1 1 48 48 ASP HB2 H 1 3.041 0.002 . 2 . . . . 48 ASP HB2 . 16590 1 429 . 1 1 48 48 ASP HB3 H 1 2.434 0.001 . 2 . . . . 48 ASP HB3 . 16590 1 430 . 1 1 48 48 ASP CA C 13 53.310 0.000 . 1 . . . . 48 ASP CA . 16590 1 431 . 1 1 48 48 ASP CB C 13 40.280 0.000 . 1 . . . . 48 ASP CB . 16590 1 432 . 1 1 48 48 ASP N N 15 119.996 0.020 . 1 . . . . 48 ASP N . 16590 1 433 . 1 1 49 49 GLN H H 1 7.990 0.002 . 1 . . . . 49 GLN H . 16590 1 434 . 1 1 49 49 GLN HA H 1 4.819 0.002 . 1 . . . . 49 GLN HA . 16590 1 435 . 1 1 49 49 GLN HB2 H 1 1.851 0.002 . 2 . . . . 49 GLN HB2 . 16590 1 436 . 1 1 49 49 GLN HB3 H 1 1.791 0.006 . 2 . . . . 49 GLN HB3 . 16590 1 437 . 1 1 49 49 GLN HE21 H 1 7.494 0.001 . 2 . . . . 49 GLN HE21 . 16590 1 438 . 1 1 49 49 GLN HE22 H 1 6.671 0.001 . 2 . . . . 49 GLN HE22 . 16590 1 439 . 1 1 49 49 GLN HG2 H 1 2.155 0.000 . 2 . . . . 49 GLN HG2 . 16590 1 440 . 1 1 49 49 GLN HG3 H 1 2.050 0.002 . 2 . . . . 49 GLN HG3 . 16590 1 441 . 1 1 49 49 GLN CA C 13 54.990 0.000 . 1 . . . . 49 GLN CA . 16590 1 442 . 1 1 49 49 GLN N N 15 117.246 0.022 . 1 . . . . 49 GLN N . 16590 1 443 . 1 1 49 49 GLN NE2 N 15 112.700 0.017 . 1 . . . . 49 GLN NE2 . 16590 1 444 . 1 1 50 50 GLU H H 1 9.058 0.002 . 1 . . . . 50 GLU H . 16590 1 445 . 1 1 50 50 GLU HA H 1 4.058 0.004 . 1 . . . . 50 GLU HA . 16590 1 446 . 1 1 50 50 GLU HB2 H 1 2.085 0.001 . 2 . . . . 50 GLU HB2 . 16590 1 447 . 1 1 50 50 GLU HB3 H 1 2.032 0.000 . 2 . . . . 50 GLU HB3 . 16590 1 448 . 1 1 50 50 GLU HG2 H 1 2.279 0.000 . 2 . . . . 50 GLU HG . 16590 1 449 . 1 1 50 50 GLU HG3 H 1 2.279 0.000 . 2 . . . . 50 GLU HG . 16590 1 450 . 1 1 50 50 GLU N N 15 120.726 0.009 . 1 . . . . 50 GLU N . 16590 1 451 . 1 1 51 51 LEU H H 1 9.324 0.002 . 1 . . . . 51 LEU H . 16590 1 452 . 1 1 51 51 LEU HA H 1 5.474 0.004 . 1 . . . . 51 LEU HA . 16590 1 453 . 1 1 51 51 LEU HB2 H 1 1.733 0.004 . 2 . . . . 51 LEU HB2 . 16590 1 454 . 1 1 51 51 LEU HB3 H 1 1.454 0.000 . 2 . . . . 51 LEU HB3 . 16590 1 455 . 1 1 51 51 LEU HD11 H 1 0.736 0.005 . 2 . . . . 51 LEU HD1 . 16590 1 456 . 1 1 51 51 LEU HD12 H 1 0.736 0.005 . 2 . . . . 51 LEU HD1 . 16590 1 457 . 1 1 51 51 LEU HD13 H 1 0.736 0.005 . 2 . . . . 51 LEU HD1 . 16590 1 458 . 1 1 51 51 LEU HD21 H 1 0.586 0.003 . 2 . . . . 51 LEU HD2 . 16590 1 459 . 1 1 51 51 LEU HD22 H 1 0.586 0.003 . 2 . . . . 51 LEU HD2 . 16590 1 460 . 1 1 51 51 LEU HD23 H 1 0.586 0.003 . 2 . . . . 51 LEU HD2 . 16590 1 461 . 1 1 51 51 LEU CA C 13 53.209 0.001 . 1 . . . . 51 LEU CA . 16590 1 462 . 1 1 51 51 LEU CB C 13 42.561 0.003 . 1 . . . . 51 LEU CB . 16590 1 463 . 1 1 51 51 LEU CD2 C 13 23.630 0.000 . 2 . . . . 51 LEU CD2 . 16590 1 464 . 1 1 51 51 LEU N N 15 125.773 0.039 . 1 . . . . 51 LEU N . 16590 1 465 . 1 1 52 52 THR H H 1 9.177 0.004 . 1 . . . . 52 THR H . 16590 1 466 . 1 1 52 52 THR HA H 1 4.495 0.003 . 1 . . . . 52 THR HA . 16590 1 467 . 1 1 52 52 THR HB H 1 4.730 0.000 . 1 . . . . 52 THR HB . 16590 1 468 . 1 1 52 52 THR HG1 H 1 5.485 0.003 . 1 . . . . 52 THR HG1 . 16590 1 469 . 1 1 52 52 THR HG21 H 1 1.421 0.003 . . . . . . 52 THR HG2 . 16590 1 470 . 1 1 52 52 THR HG22 H 1 1.421 0.003 . . . . . . 52 THR HG2 . 16590 1 471 . 1 1 52 52 THR HG23 H 1 1.421 0.003 . . . . . . 52 THR HG2 . 16590 1 472 . 1 1 52 52 THR CA C 13 60.689 0.001 . 1 . . . . 52 THR CA . 16590 1 473 . 1 1 52 52 THR N N 15 115.402 0.010 . 1 . . . . 52 THR N . 16590 1 474 . 1 1 53 53 GLU H H 1 7.719 0.002 . 1 . . . . 53 GLU H . 16590 1 475 . 1 1 53 53 GLU HA H 1 4.187 0.001 . 1 . . . . 53 GLU HA . 16590 1 476 . 1 1 53 53 GLU HB2 H 1 2.292 0.007 . 2 . . . . 53 GLU HB . 16590 1 477 . 1 1 53 53 GLU HB3 H 1 2.292 0.007 . 2 . . . . 53 GLU HB . 16590 1 478 . 1 1 53 53 GLU HG2 H 1 2.494 0.006 . 2 . . . . 53 GLU HG2 . 16590 1 479 . 1 1 53 53 GLU HG3 H 1 2.403 0.004 . 2 . . . . 53 GLU HG3 . 16590 1 480 . 1 1 53 53 GLU N N 15 120.761 0.032 . 1 . . . . 53 GLU N . 16590 1 481 . 1 1 54 54 HIS H H 1 8.834 0.002 . 1 . . . . 54 HIS H . 16590 1 482 . 1 1 54 54 HIS HA H 1 4.151 0.004 . 1 . . . . 54 HIS HA . 16590 1 483 . 1 1 54 54 HIS HB2 H 1 3.204 0.003 . 2 . . . . 54 HIS HB2 . 16590 1 484 . 1 1 54 54 HIS HB3 H 1 3.001 0.003 . 2 . . . . 54 HIS HB3 . 16590 1 485 . 1 1 54 54 HIS HE1 H 1 6.754 0.000 . 1 . . . . 54 HIS HE1 . 16590 1 486 . 1 1 54 54 HIS CA C 13 58.530 0.000 . 1 . . . . 54 HIS CA . 16590 1 487 . 1 1 54 54 HIS CB C 13 33.580 0.000 . 1 . . . . 54 HIS CB . 16590 1 488 . 1 1 54 54 HIS N N 15 117.809 0.006 . 1 . . . . 54 HIS N . 16590 1 489 . 1 1 55 55 GLU H H 1 7.650 0.002 . 1 . . . . 55 GLU H . 16590 1 490 . 1 1 55 55 GLU HA H 1 3.981 0.001 . 1 . . . . 55 GLU HA . 16590 1 491 . 1 1 55 55 GLU HB2 H 1 2.228 0.002 . 2 . . . . 55 GLU HB . 16590 1 492 . 1 1 55 55 GLU HB3 H 1 2.228 0.002 . 2 . . . . 55 GLU HB . 16590 1 493 . 1 1 55 55 GLU HG2 H 1 2.428 0.025 . 2 . . . . 55 GLU HG2 . 16590 1 494 . 1 1 55 55 GLU HG3 H 1 2.206 0.000 . 2 . . . . 55 GLU HG3 . 16590 1 495 . 1 1 55 55 GLU N N 15 118.308 0.022 . 1 . . . . 55 GLU N . 16590 1 496 . 1 1 56 56 HIS H H 1 8.750 0.001 . 1 . . . . 56 HIS H . 16590 1 497 . 1 1 56 56 HIS HB2 H 1 3.162 0.000 . 2 . . . . 56 HIS HB2 . 16590 1 498 . 1 1 56 56 HIS HB3 H 1 2.908 0.000 . 2 . . . . 56 HIS HB3 . 16590 1 499 . 1 1 56 56 HIS N N 15 118.890 0.024 . 1 . . . . 56 HIS N . 16590 1 500 . 1 1 57 57 GLN H H 1 8.279 0.001 . 1 . . . . 57 GLN H . 16590 1 501 . 1 1 57 57 GLN HA H 1 3.740 0.003 . 1 . . . . 57 GLN HA . 16590 1 502 . 1 1 57 57 GLN HB2 H 1 2.139 0.005 . 2 . . . . 57 GLN HB . 16590 1 503 . 1 1 57 57 GLN HB3 H 1 2.139 0.005 . 2 . . . . 57 GLN HB . 16590 1 504 . 1 1 57 57 GLN HE21 H 1 7.725 0.003 . 2 . . . . 57 GLN HE21 . 16590 1 505 . 1 1 57 57 GLN HE22 H 1 6.788 0.002 . 2 . . . . 57 GLN HE22 . 16590 1 506 . 1 1 57 57 GLN HG2 H 1 2.390 0.007 . 2 . . . . 57 GLN HG2 . 16590 1 507 . 1 1 57 57 GLN HG3 H 1 2.237 0.001 . 2 . . . . 57 GLN HG3 . 16590 1 508 . 1 1 57 57 GLN CA C 13 58.594 0.000 . 1 . . . . 57 GLN CA . 16590 1 509 . 1 1 57 57 GLN N N 15 119.262 0.021 . 1 . . . . 57 GLN N . 16590 1 510 . 1 1 57 57 GLN NE2 N 15 114.417 0.017 . 1 . . . . 57 GLN NE2 . 16590 1 511 . 1 1 58 58 GLN H H 1 8.224 0.001 . 1 . . . . 58 GLN H . 16590 1 512 . 1 1 58 58 GLN HA H 1 3.705 0.000 . 1 . . . . 58 GLN HA . 16590 1 513 . 1 1 58 58 GLN N N 15 119.338 0.012 . 1 . . . . 58 GLN N . 16590 1 514 . 1 1 59 59 MET H H 1 7.469 0.002 . 1 . . . . 59 MET H . 16590 1 515 . 1 1 59 59 MET HA H 1 4.135 0.001 . 1 . . . . 59 MET HA . 16590 1 516 . 1 1 59 59 MET HB2 H 1 2.233 0.001 . 2 . . . . 59 MET HB . 16590 1 517 . 1 1 59 59 MET HB3 H 1 2.233 0.001 . 2 . . . . 59 MET HB . 16590 1 518 . 1 1 59 59 MET HE1 H 1 1.258 0.004 . . . . . . 59 MET HE . 16590 1 519 . 1 1 59 59 MET HE2 H 1 1.258 0.004 . . . . . . 59 MET HE . 16590 1 520 . 1 1 59 59 MET HE3 H 1 1.258 0.004 . . . . . . 59 MET HE . 16590 1 521 . 1 1 59 59 MET HG2 H 1 2.005 0.002 . 2 . . . . 59 MET HG . 16590 1 522 . 1 1 59 59 MET HG3 H 1 2.005 0.002 . 2 . . . . 59 MET HG . 16590 1 523 . 1 1 59 59 MET N N 15 119.446 0.013 . 1 . . . . 59 MET N . 16590 1 524 . 1 1 60 60 ARG H H 1 8.195 0.001 . 1 . . . . 60 ARG H . 16590 1 525 . 1 1 60 60 ARG HA H 1 3.729 0.003 . 1 . . . . 60 ARG HA . 16590 1 526 . 1 1 60 60 ARG HB2 H 1 1.737 0.002 . 2 . . . . 60 ARG HB . 16590 1 527 . 1 1 60 60 ARG HB3 H 1 1.737 0.002 . 2 . . . . 60 ARG HB . 16590 1 528 . 1 1 60 60 ARG HD2 H 1 2.981 0.003 . 2 . . . . 60 ARG HD . 16590 1 529 . 1 1 60 60 ARG HD3 H 1 2.981 0.003 . 2 . . . . 60 ARG HD . 16590 1 530 . 1 1 60 60 ARG HE H 1 7.465 0.000 . 1 . . . . 60 ARG HE . 16590 1 531 . 1 1 60 60 ARG HG2 H 1 1.546 0.001 . 2 . . . . 60 ARG HG2 . 16590 1 532 . 1 1 60 60 ARG CA C 13 59.512 0.000 . 1 . . . . 60 ARG CA . 16590 1 533 . 1 1 60 60 ARG CD C 13 43.280 0.000 . 1 . . . . 60 ARG CD . 16590 1 534 . 1 1 60 60 ARG N N 15 118.053 0.011 . 1 . . . . 60 ARG N . 16590 1 535 . 1 1 61 61 ASP H H 1 8.309 0.001 . 1 . . . . 61 ASP H . 16590 1 536 . 1 1 61 61 ASP HA H 1 4.346 0.005 . 1 . . . . 61 ASP HA . 16590 1 537 . 1 1 61 61 ASP HB2 H 1 2.758 0.004 . 2 . . . . 61 ASP HB2 . 16590 1 538 . 1 1 61 61 ASP HB3 H 1 2.653 0.003 . 2 . . . . 61 ASP HB3 . 16590 1 539 . 1 1 61 61 ASP CA C 13 56.980 0.000 . 1 . . . . 61 ASP CA . 16590 1 540 . 1 1 61 61 ASP N N 15 119.754 0.021 . 1 . . . . 61 ASP N . 16590 1 541 . 1 1 62 62 ASP H H 1 7.990 0.002 . 1 . . . . 62 ASP H . 16590 1 542 . 1 1 62 62 ASP HA H 1 4.492 0.006 . 1 . . . . 62 ASP HA . 16590 1 543 . 1 1 62 62 ASP HB2 H 1 2.937 0.003 . 2 . . . . 62 ASP HB2 . 16590 1 544 . 1 1 62 62 ASP HB3 H 1 2.703 0.004 . 2 . . . . 62 ASP HB3 . 16590 1 545 . 1 1 62 62 ASP CA C 13 56.550 0.000 . 1 . . . . 62 ASP CA . 16590 1 546 . 1 1 62 62 ASP CB C 13 40.230 0.000 . 1 . . . . 62 ASP CB . 16590 1 547 . 1 1 62 62 ASP N N 15 120.242 0.020 . 1 . . . . 62 ASP N . 16590 1 548 . 1 1 63 63 LEU H H 1 8.281 0.002 . 1 . . . . 63 LEU H . 16590 1 549 . 1 1 63 63 LEU HA H 1 4.179 0.004 . 1 . . . . 63 LEU HA . 16590 1 550 . 1 1 63 63 LEU HB2 H 1 1.793 0.003 . 2 . . . . 63 LEU HB2 . 16590 1 551 . 1 1 63 63 LEU HB3 H 1 1.537 0.000 . 2 . . . . 63 LEU HB3 . 16590 1 552 . 1 1 63 63 LEU HD11 H 1 0.796 0.000 . 2 . . . . 63 LEU HD1 . 16590 1 553 . 1 1 63 63 LEU HD12 H 1 0.796 0.000 . 2 . . . . 63 LEU HD1 . 16590 1 554 . 1 1 63 63 LEU HD13 H 1 0.796 0.000 . 2 . . . . 63 LEU HD1 . 16590 1 555 . 1 1 63 63 LEU HD21 H 1 0.798 0.006 . 2 . . . . 63 LEU HD2 . 16590 1 556 . 1 1 63 63 LEU HD22 H 1 0.798 0.006 . 2 . . . . 63 LEU HD2 . 16590 1 557 . 1 1 63 63 LEU HD23 H 1 0.798 0.006 . 2 . . . . 63 LEU HD2 . 16590 1 558 . 1 1 63 63 LEU HG H 1 1.538 0.002 . 1 . . . . 63 LEU HG . 16590 1 559 . 1 1 63 63 LEU CA C 13 57.280 0.000 . 1 . . . . 63 LEU CA . 16590 1 560 . 1 1 63 63 LEU CB C 13 41.870 0.000 . 1 . . . . 63 LEU CB . 16590 1 561 . 1 1 63 63 LEU CD1 C 13 25.380 0.000 . 2 . . . . 63 LEU CD1 . 16590 1 562 . 1 1 63 63 LEU CD2 C 13 23.630 0.000 . 2 . . . . 63 LEU CD2 . 16590 1 563 . 1 1 63 63 LEU N N 15 119.970 0.031 . 1 . . . . 63 LEU N . 16590 1 564 . 1 1 64 64 GLU H H 1 7.985 0.001 . 1 . . . . 64 GLU H . 16590 1 565 . 1 1 64 64 GLU HA H 1 4.215 0.005 . 1 . . . . 64 GLU HA . 16590 1 566 . 1 1 64 64 GLU HB2 H 1 2.111 0.002 . 2 . . . . 64 GLU HB . 16590 1 567 . 1 1 64 64 GLU HB3 H 1 2.111 0.002 . 2 . . . . 64 GLU HB . 16590 1 568 . 1 1 64 64 GLU HG2 H 1 2.363 0.007 . 2 . . . . 64 GLU HG2 . 16590 1 569 . 1 1 64 64 GLU HG3 H 1 2.308 0.000 . 2 . . . . 64 GLU HG3 . 16590 1 570 . 1 1 64 64 GLU CA C 13 57.830 0.000 . 1 . . . . 64 GLU CA . 16590 1 571 . 1 1 64 64 GLU CB C 13 29.730 0.000 . 1 . . . . 64 GLU CB . 16590 1 572 . 1 1 64 64 GLU N N 15 119.030 0.005 . 1 . . . . 64 GLU N . 16590 1 573 . 1 1 65 65 LYS H H 1 7.711 0.003 . 1 . . . . 65 LYS H . 16590 1 574 . 1 1 65 65 LYS HA H 1 4.234 0.005 . 1 . . . . 65 LYS HA . 16590 1 575 . 1 1 65 65 LYS HB2 H 1 1.933 0.002 . 2 . . . . 65 LYS HB . 16590 1 576 . 1 1 65 65 LYS HB3 H 1 1.933 0.002 . 2 . . . . 65 LYS HB . 16590 1 577 . 1 1 65 65 LYS HD2 H 1 1.558 0.004 . 2 . . . . 65 LYS HD . 16590 1 578 . 1 1 65 65 LYS HD3 H 1 1.558 0.004 . 2 . . . . 65 LYS HD . 16590 1 579 . 1 1 65 65 LYS HE2 H 1 3.034 0.004 . 2 . . . . 65 LYS HE . 16590 1 580 . 1 1 65 65 LYS HE3 H 1 3.034 0.004 . 2 . . . . 65 LYS HE . 16590 1 581 . 1 1 65 65 LYS CA C 13 57.680 0.000 . 1 . . . . 65 LYS CA . 16590 1 582 . 1 1 65 65 LYS CB C 13 32.690 0.000 . 1 . . . . 65 LYS CB . 16590 1 583 . 1 1 65 65 LYS N N 15 119.999 0.012 . 1 . . . . 65 LYS N . 16590 1 584 . 1 1 66 66 GLU H H 1 8.105 0.003 . 1 . . . . 66 GLU H . 16590 1 585 . 1 1 66 66 GLU HA H 1 4.254 0.001 . 1 . . . . 66 GLU HA . 16590 1 586 . 1 1 66 66 GLU HB2 H 1 2.138 0.003 . 2 . . . . 66 GLU HB2 . 16590 1 587 . 1 1 66 66 GLU HB3 H 1 2.032 0.003 . 2 . . . . 66 GLU HB3 . 16590 1 588 . 1 1 66 66 GLU HG2 H 1 2.418 0.000 . 2 . . . . 66 GLU HG2 . 16590 1 589 . 1 1 66 66 GLU HG3 H 1 2.292 0.002 . 2 . . . . 66 GLU HG3 . 16590 1 590 . 1 1 66 66 GLU CA C 13 57.280 0.000 . 1 . . . . 66 GLU CA . 16590 1 591 . 1 1 66 66 GLU CB C 13 29.920 0.000 . 1 . . . . 66 GLU CB . 16590 1 592 . 1 1 66 66 GLU N N 15 120.011 0.021 . 1 . . . . 66 GLU N . 16590 1 593 . 1 1 67 67 ARG H H 1 8.027 0.004 . 1 . . . . 67 ARG H . 16590 1 594 . 1 1 67 67 ARG HA H 1 4.273 0.001 . 1 . . . . 67 ARG HA . 16590 1 595 . 1 1 67 67 ARG HB2 H 1 1.954 0.000 . 2 . . . . 67 ARG HB2 . 16590 1 596 . 1 1 67 67 ARG HB3 H 1 1.853 0.000 . 2 . . . . 67 ARG HB3 . 16590 1 597 . 1 1 67 67 ARG HD2 H 1 3.229 0.000 . 2 . . . . 67 ARG HD . 16590 1 598 . 1 1 67 67 ARG HD3 H 1 3.229 0.000 . 2 . . . . 67 ARG HD . 16590 1 599 . 1 1 67 67 ARG HG2 H 1 1.718 0.001 . 2 . . . . 67 ARG HG2 . 16590 1 600 . 1 1 67 67 ARG HG3 H 1 1.645 0.000 . 2 . . . . 67 ARG HG3 . 16590 1 601 . 1 1 67 67 ARG CA C 13 56.730 0.000 . 1 . . . . 67 ARG CA . 16590 1 602 . 1 1 67 67 ARG CB C 13 30.800 0.000 . 1 . . . . 67 ARG CB . 16590 1 603 . 1 1 67 67 ARG CD C 13 43.280 0.000 . 1 . . . . 67 ARG CD . 16590 1 604 . 1 1 67 67 ARG CG C 13 27.220 0.000 . 1 . . . . 67 ARG CG . 16590 1 605 . 1 1 67 67 ARG N N 15 120.603 0.023 . 1 . . . . 67 ARG N . 16590 1 606 . 1 1 68 68 GLU H H 1 8.363 0.001 . 1 . . . . 68 GLU H . 16590 1 607 . 1 1 68 68 GLU HA H 1 4.279 0.009 . 1 . . . . 68 GLU HA . 16590 1 608 . 1 1 68 68 GLU HB2 H 1 2.066 0.002 . 2 . . . . 68 GLU HB2 . 16590 1 609 . 1 1 68 68 GLU HB3 H 1 1.978 0.002 . 2 . . . . 68 GLU HB3 . 16590 1 610 . 1 1 68 68 GLU HG2 H 1 2.291 0.004 . 2 . . . . 68 GLU HG2 . 16590 1 611 . 1 1 68 68 GLU CA C 13 57.030 0.000 . 1 . . . . 68 GLU CA . 16590 1 612 . 1 1 68 68 GLU CB C 13 30.380 0.000 . 1 . . . . 68 GLU CB . 16590 1 613 . 1 1 68 68 GLU N N 15 121.566 0.026 . 1 . . . . 68 GLU N . 16590 1 614 . 1 1 69 69 ASP H H 1 8.343 0.005 . 1 . . . . 69 ASP H . 16590 1 615 . 1 1 69 69 ASP HA H 1 4.617 0.003 . 1 . . . . 69 ASP HA . 16590 1 616 . 1 1 69 69 ASP HB2 H 1 2.740 0.002 . 2 . . . . 69 ASP HB2 . 16590 1 617 . 1 1 69 69 ASP HB3 H 1 2.652 0.002 . 2 . . . . 69 ASP HB3 . 16590 1 618 . 1 1 69 69 ASP CA C 13 54.490 0.000 . 1 . . . . 69 ASP CA . 16590 1 619 . 1 1 69 69 ASP CB C 13 40.870 0.000 . 1 . . . . 69 ASP CB . 16590 1 620 . 1 1 69 69 ASP N N 15 120.771 0.034 . 1 . . . . 69 ASP N . 16590 1 621 . 1 1 70 70 LEU H H 1 8.018 0.002 . 1 . . . . 70 LEU H . 16590 1 622 . 1 1 70 70 LEU HA H 1 4.314 0.005 . 1 . . . . 70 LEU HA . 16590 1 623 . 1 1 70 70 LEU HB2 H 1 1.665 0.005 . 2 . . . . 70 LEU HB . 16590 1 624 . 1 1 70 70 LEU HB3 H 1 1.665 0.005 . 2 . . . . 70 LEU HB . 16590 1 625 . 1 1 70 70 LEU HD11 H 1 0.930 0.000 . 2 . . . . 70 LEU HD1 . 16590 1 626 . 1 1 70 70 LEU HD12 H 1 0.930 0.000 . 2 . . . . 70 LEU HD1 . 16590 1 627 . 1 1 70 70 LEU HD13 H 1 0.930 0.000 . 2 . . . . 70 LEU HD1 . 16590 1 628 . 1 1 70 70 LEU HD21 H 1 0.871 0.007 . 2 . . . . 70 LEU HD2 . 16590 1 629 . 1 1 70 70 LEU HD22 H 1 0.871 0.007 . 2 . . . . 70 LEU HD2 . 16590 1 630 . 1 1 70 70 LEU HD23 H 1 0.871 0.007 . 2 . . . . 70 LEU HD2 . 16590 1 631 . 1 1 70 70 LEU CA C 13 55.440 0.000 . 1 . . . . 70 LEU CA . 16590 1 632 . 1 1 70 70 LEU CB C 13 42.480 0.000 . 1 . . . . 70 LEU CB . 16590 1 633 . 1 1 70 70 LEU N N 15 122.076 0.011 . 1 . . . . 70 LEU N . 16590 1 634 . 1 1 71 71 ASP H H 1 8.298 0.003 . 1 . . . . 71 ASP H . 16590 1 635 . 1 1 71 71 ASP HA H 1 4.627 0.006 . 1 . . . . 71 ASP HA . 16590 1 636 . 1 1 71 71 ASP HB2 H 1 2.764 0.001 . 2 . . . . 71 ASP HB2 . 16590 1 637 . 1 1 71 71 ASP HB3 H 1 2.616 0.002 . 2 . . . . 71 ASP HB3 . 16590 1 638 . 1 1 71 71 ASP CA C 13 54.220 0.000 . 1 . . . . 71 ASP CA . 16590 1 639 . 1 1 71 71 ASP CB C 13 40.820 0.000 . 1 . . . . 71 ASP CB . 16590 1 640 . 1 1 71 71 ASP N N 15 120.922 0.010 . 1 . . . . 71 ASP N . 16590 1 641 . 1 1 72 72 LEU H H 1 8.061 0.002 . 1 . . . . 72 LEU H . 16590 1 642 . 1 1 72 72 LEU HA H 1 4.276 0.001 . 1 . . . . 72 LEU HA . 16590 1 643 . 1 1 72 72 LEU HB2 H 1 1.611 0.005 . 2 . . . . 72 LEU HB . 16590 1 644 . 1 1 72 72 LEU HB3 H 1 1.611 0.005 . 2 . . . . 72 LEU HB . 16590 1 645 . 1 1 72 72 LEU HD11 H 1 0.928 0.000 . 2 . . . . 72 LEU HD1 . 16590 1 646 . 1 1 72 72 LEU HD12 H 1 0.928 0.000 . 2 . . . . 72 LEU HD1 . 16590 1 647 . 1 1 72 72 LEU HD13 H 1 0.928 0.000 . 2 . . . . 72 LEU HD1 . 16590 1 648 . 1 1 72 72 LEU HD21 H 1 0.869 0.009 . 2 . . . . 72 LEU HD2 . 16590 1 649 . 1 1 72 72 LEU HD22 H 1 0.869 0.009 . 2 . . . . 72 LEU HD2 . 16590 1 650 . 1 1 72 72 LEU HD23 H 1 0.869 0.009 . 2 . . . . 72 LEU HD2 . 16590 1 651 . 1 1 72 72 LEU CA C 13 55.510 0.000 . 1 . . . . 72 LEU CA . 16590 1 652 . 1 1 72 72 LEU CB C 13 42.310 0.000 . 1 . . . . 72 LEU CB . 16590 1 653 . 1 1 72 72 LEU N N 15 122.325 0.016 . 1 . . . . 72 LEU N . 16590 1 654 . 1 1 73 73 ASP H H 1 8.267 0.002 . 1 . . . . 73 ASP H . 16590 1 655 . 1 1 73 73 ASP HA H 1 4.584 0.000 . 1 . . . . 73 ASP HA . 16590 1 656 . 1 1 73 73 ASP HB3 H 1 2.656 0.003 . 2 . . . . 73 ASP HB3 . 16590 1 657 . 1 1 73 73 ASP CA C 13 54.400 0.000 . 1 . . . . 73 ASP CA . 16590 1 658 . 1 1 73 73 ASP CB C 13 41.100 0.000 . 1 . . . . 73 ASP CB . 16590 1 659 . 1 1 73 73 ASP N N 15 120.233 0.016 . 1 . . . . 73 ASP N . 16590 1 660 . 1 1 74 74 HIS H H 1 7.753 0.002 . 1 . . . . 74 HIS H . 16590 1 661 . 1 1 74 74 HIS HA H 1 4.441 0.002 . 1 . . . . 74 HIS HA . 16590 1 662 . 1 1 74 74 HIS HB2 H 1 3.212 0.000 . 2 . . . . 74 HIS HB2 . 16590 1 663 . 1 1 74 74 HIS HB3 H 1 3.080 0.001 . 2 . . . . 74 HIS HB3 . 16590 1 664 . 1 1 74 74 HIS CA C 13 57.120 0.000 . 1 . . . . 74 HIS CA . 16590 1 665 . 1 1 74 74 HIS CB C 13 30.620 0.000 . 1 . . . . 74 HIS CB . 16590 1 666 . 1 1 74 74 HIS N N 15 123.504 0.023 . 1 . . . . 74 HIS N . 16590 1 667 . 1 1 76 76 SER HA H 1 4.508 0.000 . 1 . . . . 76 SER HA . 16590 1 668 . 1 1 76 76 SER HB2 H 1 3.893 0.000 . 2 . . . . 76 SER HB . 16590 1 669 . 1 1 76 76 SER HB3 H 1 3.893 0.000 . 2 . . . . 76 SER HB . 16590 1 670 . 1 1 76 76 SER CA C 13 58.360 0.000 . 1 . . . . 76 SER CA . 16590 1 671 . 1 1 76 76 SER CB C 13 63.990 0.000 . 1 . . . . 76 SER CB . 16590 1 672 . 1 1 77 77 LEU H H 1 8.070 0.002 . 1 . . . . 77 LEU H . 16590 1 673 . 1 1 77 77 LEU HA H 1 4.621 0.036 . 1 . . . . 77 LEU HA . 16590 1 674 . 1 1 77 77 LEU HB2 H 1 1.626 0.004 . 2 . . . . 77 LEU HB . 16590 1 675 . 1 1 77 77 LEU HB3 H 1 1.626 0.004 . 2 . . . . 77 LEU HB . 16590 1 676 . 1 1 77 77 LEU HD11 H 1 0.942 0.000 . . . . . . 77 LEU HD . 16590 1 677 . 1 1 77 77 LEU HD12 H 1 0.942 0.000 . . . . . . 77 LEU HD . 16590 1 678 . 1 1 77 77 LEU HD13 H 1 0.942 0.000 . . . . . . 77 LEU HD . 16590 1 679 . 1 1 77 77 LEU HD21 H 1 0.942 0.000 . . . . . . 77 LEU HD . 16590 1 680 . 1 1 77 77 LEU HD22 H 1 0.942 0.000 . . . . . . 77 LEU HD . 16590 1 681 . 1 1 77 77 LEU HD23 H 1 0.942 0.000 . . . . . . 77 LEU HD . 16590 1 682 . 1 1 77 77 LEU CA C 13 52.980 0.000 . 1 . . . . 77 LEU CA . 16590 1 683 . 1 1 77 77 LEU CB C 13 41.650 0.000 . 1 . . . . 77 LEU CB . 16590 1 684 . 1 1 77 77 LEU N N 15 125.538 0.023 . 1 . . . . 77 LEU N . 16590 1 685 . 1 1 78 78 PRO HA H 1 4.241 0.004 . 1 . . . . 78 PRO HA . 16590 1 686 . 1 1 78 78 PRO HB2 H 1 2.231 0.003 . 2 . . . . 78 PRO HB2 . 16590 1 687 . 1 1 78 78 PRO HB3 H 1 1.909 0.001 . 2 . . . . 78 PRO HB3 . 16590 1 688 . 1 1 78 78 PRO HD2 H 1 3.798 0.004 . 2 . . . . 78 PRO HD2 . 16590 1 689 . 1 1 78 78 PRO HD3 H 1 3.643 0.005 . 2 . . . . 78 PRO HD3 . 16590 1 690 . 1 1 78 78 PRO HG2 H 1 1.997 0.003 . 2 . . . . 78 PRO HG2 . 16590 1 691 . 1 1 78 78 PRO CA C 13 64.811 0.031 . 1 . . . . 78 PRO CA . 16590 1 692 . 1 1 78 78 PRO CB C 13 32.039 0.035 . 1 . . . . 78 PRO CB . 16590 1 693 . 1 1 78 78 PRO CD C 13 50.260 0.036 . 1 . . . . 78 PRO CD . 16590 1 694 . 1 1 78 78 PRO CG C 13 27.265 0.025 . 1 . . . . 78 PRO CG . 16590 1 stop_ save_