data_19155 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19155 _Entry.Title ; NMR Structure of CbpAN from Streptococcus pneumoniae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-10 _Entry.Accession_date 2013-04-10 _Entry.Last_release_date 2014-04-14 _Entry.Original_release_date 2014-04-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'The PDB file is the one after energy minimization with Amber.' _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 Aizhuo Liu . . . 19155 2 Honggao Yan . . . 19155 3 David Achila . . . 19155 4 Erik Martinez-Hackert . . . 19155 5 Yue Li . . . 19155 6 Rahul Banerjee . . . 19155 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19155 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'three-helix bundle' . 19155 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19155 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 356 19155 '15N chemical shifts' 87 19155 '1H chemical shifts' 602 19155 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 1 . . 2014-04-14 2013-04-10 original author . 19155 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19155 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Host Specification of Factor H Binding by Streptococcus pneumoniae' _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Aizhuo Liu . . . 19155 1 2 David Achila . . . 19155 1 3 Rahul Banerjee . . . 19155 1 4 Erik Martinez-Hackert . . . 19155 1 5 Yue Li . . . 19155 1 6 Honggao Yan . . . 19155 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19155 _Assembly.ID 1 _Assembly.Name 'CbpAN from Streptococcus pneumoniae' _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 CbpAN 1 $CbpAN_protein A . yes native no no . . . 19155 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CbpAN_protein _Entity.Sf_category entity _Entity.Sf_framecode CbpAN_protein _Entity.Entry_ID 19155 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMLDSERDKARKEVEEYVK KIVGESYAKSTKKRHTITVA LVNELNNIKNEYLNKIVEST SESQLQILMMESRSKVDEAV SKFEK ; _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 85 _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 9522.928 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M6U . "Nmr Structure Of Cbpan From Streptococcus Pneumoniae" . . . . . 100.00 85 100.00 100.00 2.30e-51 . . . . 19155 1 2 no PDB 4K12 . "Structural Basis For Host Specificity Of Factor H Binding By Streptococcus Pneumoniae" . . . . . 100.00 84 97.65 98.82 4.93e-48 . . . . 19155 1 3 no EMBL CEV61387 . "choline binding protein A [Streptococcus pneumoniae]" . . . . . 96.47 667 100.00 100.00 2.81e-45 . . . . 19155 1 4 no EMBL CEW81978 . "choline binding protein A [Streptococcus pneumoniae]" . . . . . 95.29 408 98.77 98.77 3.63e-45 . . . . 19155 1 5 no EMBL CEW91983 . "choline binding protein A [Streptococcus pneumoniae]" . . . . . 95.29 408 98.77 98.77 3.63e-45 . . . . 19155 1 6 no EMBL CEW94993 . "choline binding protein A [Streptococcus pneumoniae]" . . . . . 95.29 408 98.77 98.77 3.63e-45 . . . . 19155 1 7 no EMBL CEY00327 . "choline binding protein A [Streptococcus pneumoniae]" . . . . . 95.29 408 98.77 98.77 3.63e-45 . . . . 19155 1 8 no GB AAF13459 . "unknown [Streptococcus pneumoniae]" . . . . . 96.47 516 100.00 100.00 9.27e-47 . . . . 19155 1 9 no GB AAF73792 . "surface protein PspC [Streptococcus pneumoniae]" . . . . . 96.47 695 100.00 100.00 4.38e-45 . . . . 19155 1 10 no GB AAF73796 . "surface protein PspC [Streptococcus pneumoniae]" . . . . . 96.47 696 100.00 100.00 3.33e-45 . . . . 19155 1 11 no GB AAF73807 . "surface protein PspC [Streptococcus pneumoniae]" . . . . . 96.47 693 100.00 100.00 3.25e-45 . . . . 19155 1 12 no GB AAF73821 . "surface protein PspC [Streptococcus pneumoniae]" . . . . . 95.29 584 98.77 98.77 3.82e-46 . . . . 19155 1 13 no REF WP_000458186 . "hypothetical protein, partial [Streptococcus pneumoniae]" . . . . . 96.47 529 100.00 100.00 2.47e-46 . . . . 19155 1 14 no REF WP_000458187 . "choline-binding protein A [Streptococcus pneumoniae]" . . . . . 96.47 733 100.00 100.00 3.68e-45 . . . . 19155 1 15 no REF WP_000458188 . "choline-binding protein A [Streptococcus pneumoniae]" . . . . . 96.47 693 100.00 100.00 3.32e-45 . . . . 19155 1 16 no REF WP_000458189 . "choline-binding protein A [Streptococcus pneumoniae]" . . . . . 96.47 773 100.00 100.00 5.01e-45 . . . . 19155 1 17 no REF WP_000458190 . "choline-binding protein A [Streptococcus pneumoniae]" . . . . . 96.47 684 100.00 100.00 3.59e-45 . . . . 19155 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 -3 GLY . 19155 1 2 -2 HIS . 19155 1 3 -1 MET . 19155 1 4 1 LEU . 19155 1 5 2 ASP . 19155 1 6 3 SER . 19155 1 7 4 GLU . 19155 1 8 5 ARG . 19155 1 9 6 ASP . 19155 1 10 7 LYS . 19155 1 11 8 ALA . 19155 1 12 9 ARG . 19155 1 13 10 LYS . 19155 1 14 11 GLU . 19155 1 15 12 VAL . 19155 1 16 13 GLU . 19155 1 17 14 GLU . 19155 1 18 15 TYR . 19155 1 19 16 VAL . 19155 1 20 17 LYS . 19155 1 21 18 LYS . 19155 1 22 19 ILE . 19155 1 23 20 VAL . 19155 1 24 21 GLY . 19155 1 25 22 GLU . 19155 1 26 23 SER . 19155 1 27 24 TYR . 19155 1 28 25 ALA . 19155 1 29 26 LYS . 19155 1 30 27 SER . 19155 1 31 28 THR . 19155 1 32 29 LYS . 19155 1 33 30 LYS . 19155 1 34 31 ARG . 19155 1 35 32 HIS . 19155 1 36 33 THR . 19155 1 37 34 ILE . 19155 1 38 35 THR . 19155 1 39 36 VAL . 19155 1 40 37 ALA . 19155 1 41 38 LEU . 19155 1 42 39 VAL . 19155 1 43 40 ASN . 19155 1 44 41 GLU . 19155 1 45 42 LEU . 19155 1 46 43 ASN . 19155 1 47 44 ASN . 19155 1 48 45 ILE . 19155 1 49 46 LYS . 19155 1 50 47 ASN . 19155 1 51 48 GLU . 19155 1 52 49 TYR . 19155 1 53 50 LEU . 19155 1 54 51 ASN . 19155 1 55 52 LYS . 19155 1 56 53 ILE . 19155 1 57 54 VAL . 19155 1 58 55 GLU . 19155 1 59 56 SER . 19155 1 60 57 THR . 19155 1 61 58 SER . 19155 1 62 59 GLU . 19155 1 63 60 SER . 19155 1 64 61 GLN . 19155 1 65 62 LEU . 19155 1 66 63 GLN . 19155 1 67 64 ILE . 19155 1 68 65 LEU . 19155 1 69 66 MET . 19155 1 70 67 MET . 19155 1 71 68 GLU . 19155 1 72 69 SER . 19155 1 73 70 ARG . 19155 1 74 71 SER . 19155 1 75 72 LYS . 19155 1 76 73 VAL . 19155 1 77 74 ASP . 19155 1 78 75 GLU . 19155 1 79 76 ALA . 19155 1 80 77 VAL . 19155 1 81 78 SER . 19155 1 82 79 LYS . 19155 1 83 80 PHE . 19155 1 84 81 GLU . 19155 1 85 82 LYS . 19155 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 19155 1 . HIS 2 2 19155 1 . MET 3 3 19155 1 . LEU 4 4 19155 1 . ASP 5 5 19155 1 . SER 6 6 19155 1 . GLU 7 7 19155 1 . ARG 8 8 19155 1 . ASP 9 9 19155 1 . LYS 10 10 19155 1 . ALA 11 11 19155 1 . ARG 12 12 19155 1 . LYS 13 13 19155 1 . GLU 14 14 19155 1 . VAL 15 15 19155 1 . GLU 16 16 19155 1 . GLU 17 17 19155 1 . TYR 18 18 19155 1 . VAL 19 19 19155 1 . LYS 20 20 19155 1 . LYS 21 21 19155 1 . ILE 22 22 19155 1 . VAL 23 23 19155 1 . GLY 24 24 19155 1 . GLU 25 25 19155 1 . SER 26 26 19155 1 . TYR 27 27 19155 1 . ALA 28 28 19155 1 . LYS 29 29 19155 1 . SER 30 30 19155 1 . THR 31 31 19155 1 . LYS 32 32 19155 1 . LYS 33 33 19155 1 . ARG 34 34 19155 1 . HIS 35 35 19155 1 . THR 36 36 19155 1 . ILE 37 37 19155 1 . THR 38 38 19155 1 . VAL 39 39 19155 1 . ALA 40 40 19155 1 . LEU 41 41 19155 1 . VAL 42 42 19155 1 . ASN 43 43 19155 1 . GLU 44 44 19155 1 . LEU 45 45 19155 1 . ASN 46 46 19155 1 . ASN 47 47 19155 1 . ILE 48 48 19155 1 . LYS 49 49 19155 1 . ASN 50 50 19155 1 . GLU 51 51 19155 1 . TYR 52 52 19155 1 . LEU 53 53 19155 1 . ASN 54 54 19155 1 . LYS 55 55 19155 1 . ILE 56 56 19155 1 . VAL 57 57 19155 1 . GLU 58 58 19155 1 . SER 59 59 19155 1 . THR 60 60 19155 1 . SER 61 61 19155 1 . GLU 62 62 19155 1 . SER 63 63 19155 1 . GLN 64 64 19155 1 . LEU 65 65 19155 1 . GLN 66 66 19155 1 . ILE 67 67 19155 1 . LEU 68 68 19155 1 . MET 69 69 19155 1 . MET 70 70 19155 1 . GLU 71 71 19155 1 . SER 72 72 19155 1 . ARG 73 73 19155 1 . SER 74 74 19155 1 . LYS 75 75 19155 1 . VAL 76 76 19155 1 . ASP 77 77 19155 1 . GLU 78 78 19155 1 . ALA 79 79 19155 1 . VAL 80 80 19155 1 . SER 81 81 19155 1 . LYS 82 82 19155 1 . PHE 83 83 19155 1 . GLU 84 84 19155 1 . LYS 85 85 19155 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 19155 _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 $CbpAN_protein . 1313 organism . 'Streptococcus pneumoniae' firmicutes . . Bacteria . Streptococcus pneumoniae . . . . . . . . . . . . . . . . . . . . . 19155 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 19155 _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 $CbpAN_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET17bHR . . . . . . 19155 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19155 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM 15N/13C-labeled protein in 50 mM phosphate buffer, pH 7.0, and 50 mM NaCl' _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 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 19155 1 2 'sodium azide' 'natural abundance' . . . . . . 100 . . uM . . . . 19155 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19155 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19155 1 5 H20 'natural abundance' . . . . . . 95 . . % . . . . 19155 1 6 D20 'natural abundance' . . . . . . 5 . . % . . . . 19155 1 7 CbpAN_protein 15N/13C-labeled . . 1 $CbpAN_protein . . 1 . . mM . . . . 19155 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19155 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM 15N/13C-labeled CbpAN protein' _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 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 19155 2 2 'sodium azide' 'natural abundance' . . . . . . 100 . . uM . . . . 19155 2 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19155 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19155 2 5 D20 'natural abundance' . . . . . . 100 . . % . . . . 19155 2 6 CbpAN_protein 15N/13C-labeled . . 1 $CbpAN_protein . . 1 . . mM . . . . 19155 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 19155 _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' 100 . mM 19155 1 pH 7.0 . pH 19155 1 pressure 1 . atm 19155 1 temperature 298 . K 19155 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19155 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19155 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19155 1 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 19155 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 19155 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 19155 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 19155 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19155 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19155 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19155 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19155 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19155 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19155 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19155 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19155 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19155 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19155 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19155 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19155 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 19155 _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 . . . . . . . . . 19155 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19155 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19155 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 19155 _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' . . . 19155 1 2 '3D HNCA' . . . 19155 1 3 '3D HN(CO)CA' . . . 19155 1 4 '3D HNCACB' . . . 19155 1 5 '3D CBCA(CO)NH' . . . 19155 1 6 '3D HNCO' . . . 19155 1 7 '3D HN(CA)CO' . . . 19155 1 8 '3D 1H-15N NOESY' . . . 19155 1 9 '2D 1H-13C HSQC' . . . 19155 1 10 '3D HCCH-TOCSY' . . . 19155 1 11 '3D 1H-13C NOESY aliphatic' . . . 19155 1 12 '3D 1H-13C NOESY aromatic' . . . 19155 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 4 4 LEU HA H 1 4.400 0.000 . . . . . A 1 LEU HA . 19155 1 2 . 1 1 4 4 LEU C C 13 178.172 0.000 . . . . . A 1 LEU C . 19155 1 3 . 1 1 5 5 ASP H H 1 8.260 0.000 . . . . . A 2 ASP H . 19155 1 4 . 1 1 5 5 ASP HA H 1 4.440 0.000 . . . . . A 2 ASP HA . 19155 1 5 . 1 1 5 5 ASP HB2 H 1 2.751 0.000 . . . . . A 2 ASP HB2 . 19155 1 6 . 1 1 5 5 ASP HB3 H 1 2.801 0.000 . . . . . A 2 ASP HB3 . 19155 1 7 . 1 1 5 5 ASP C C 13 178.594 0.000 . . . . . A 2 ASP C . 19155 1 8 . 1 1 5 5 ASP CA C 13 57.997 0.000 . . . . . A 2 ASP CA . 19155 1 9 . 1 1 5 5 ASP CB C 13 40.098 0.000 . . . . . A 2 ASP CB . 19155 1 10 . 1 1 5 5 ASP N N 15 119.961 0.000 . . . . . A 2 ASP N . 19155 1 11 . 1 1 6 6 SER H H 1 8.112 0.000 . . . . . A 3 SER H . 19155 1 12 . 1 1 6 6 SER HA H 1 4.358 0.000 . . . . . A 3 SER HA . 19155 1 13 . 1 1 6 6 SER HB2 H 1 4.041 0.000 . . . . . A 3 SER HB2 . 19155 1 14 . 1 1 6 6 SER HB3 H 1 4.041 0.000 . . . . . A 3 SER HB3 . 19155 1 15 . 1 1 6 6 SER C C 13 177.657 0.000 . . . . . A 3 SER C . 19155 1 16 . 1 1 6 6 SER CA C 13 60.656 0.000 . . . . . A 3 SER CA . 19155 1 17 . 1 1 6 6 SER CB C 13 62.319 0.000 . . . . . A 3 SER CB . 19155 1 18 . 1 1 6 6 SER N N 15 115.401 0.000 . . . . . A 3 SER N . 19155 1 19 . 1 1 7 7 GLU H H 1 8.472 0.000 . . . . . A 4 GLU H . 19155 1 20 . 1 1 7 7 GLU HA H 1 4.045 0.000 . . . . . A 4 GLU HA . 19155 1 21 . 1 1 7 7 GLU HB2 H 1 1.975 0.000 . . . . . A 4 GLU HB2 . 19155 1 22 . 1 1 7 7 GLU HB3 H 1 2.069 0.000 . . . . . A 4 GLU HB3 . 19155 1 23 . 1 1 7 7 GLU HG2 H 1 2.189 0.000 . . . . . A 4 GLU HG2 . 19155 1 24 . 1 1 7 7 GLU HG3 H 1 2.189 0.000 . . . . . A 4 GLU HG3 . 19155 1 25 . 1 1 7 7 GLU C C 13 180.035 0.000 . . . . . A 4 GLU C . 19155 1 26 . 1 1 7 7 GLU CA C 13 59.072 0.000 . . . . . A 4 GLU CA . 19155 1 27 . 1 1 7 7 GLU CB C 13 28.538 0.000 . . . . . A 4 GLU CB . 19155 1 28 . 1 1 7 7 GLU CG C 13 36.105 0.000 . . . . . A 4 GLU CG . 19155 1 29 . 1 1 7 7 GLU N N 15 122.287 0.000 . . . . . A 4 GLU N . 19155 1 30 . 1 1 8 8 ARG H H 1 8.771 0.000 . . . . . A 5 ARG H . 19155 1 31 . 1 1 8 8 ARG HA H 1 3.894 0.000 . . . . . A 5 ARG HA . 19155 1 32 . 1 1 8 8 ARG HB2 H 1 1.778 0.000 . . . . . A 5 ARG HB2 . 19155 1 33 . 1 1 8 8 ARG HB3 H 1 2.088 0.000 . . . . . A 5 ARG HB3 . 19155 1 34 . 1 1 8 8 ARG HG2 H 1 1.578 0.000 . . . . . A 5 ARG HG2 . 19155 1 35 . 1 1 8 8 ARG HG3 H 1 1.943 0.000 . . . . . A 5 ARG HG3 . 19155 1 36 . 1 1 8 8 ARG HD2 H 1 3.239 0.000 . . . . . A 5 ARG HD2 . 19155 1 37 . 1 1 8 8 ARG HD3 H 1 3.415 0.000 . . . . . A 5 ARG HD3 . 19155 1 38 . 1 1 8 8 ARG HE H 1 6.841 0.000 . . . . . A 5 ARG HE . 19155 1 39 . 1 1 8 8 ARG C C 13 178.298 0.000 . . . . . A 5 ARG C . 19155 1 40 . 1 1 8 8 ARG CA C 13 60.564 0.000 . . . . . A 5 ARG CA . 19155 1 41 . 1 1 8 8 ARG CB C 13 30.681 0.000 . . . . . A 5 ARG CB . 19155 1 42 . 1 1 8 8 ARG CG C 13 29.619 0.000 . . . . . A 5 ARG CG . 19155 1 43 . 1 1 8 8 ARG CD C 13 43.615 0.000 . . . . . A 5 ARG CD . 19155 1 44 . 1 1 8 8 ARG N N 15 121.026 0.000 . . . . . A 5 ARG N . 19155 1 45 . 1 1 8 8 ARG NE N 15 83.850 0.000 . . . . . A 5 ARG NE . 19155 1 46 . 1 1 9 9 ASP H H 1 7.889 0.000 . . . . . A 6 ASP H . 19155 1 47 . 1 1 9 9 ASP HA H 1 4.455 0.000 . . . . . A 6 ASP HA . 19155 1 48 . 1 1 9 9 ASP HB2 H 1 2.730 0.000 . . . . . A 6 ASP HB2 . 19155 1 49 . 1 1 9 9 ASP HB3 H 1 2.884 0.000 . . . . . A 6 ASP HB3 . 19155 1 50 . 1 1 9 9 ASP C C 13 178.676 0.000 . . . . . A 6 ASP C . 19155 1 51 . 1 1 9 9 ASP CA C 13 57.956 0.000 . . . . . A 6 ASP CA . 19155 1 52 . 1 1 9 9 ASP CB C 13 40.774 0.000 . . . . . A 6 ASP CB . 19155 1 53 . 1 1 9 9 ASP N N 15 119.775 0.000 . . . . . A 6 ASP N . 19155 1 54 . 1 1 10 10 LYS H H 1 7.950 0.000 . . . . . A 7 LYS H . 19155 1 55 . 1 1 10 10 LYS HA H 1 4.014 0.000 . . . . . A 7 LYS HA . 19155 1 56 . 1 1 10 10 LYS HB2 H 1 1.955 0.000 . . . . . A 7 LYS HB2 . 19155 1 57 . 1 1 10 10 LYS HB3 H 1 1.955 0.000 . . . . . A 7 LYS HB3 . 19155 1 58 . 1 1 10 10 LYS HG2 H 1 1.464 0.000 . . . . . A 7 LYS HG2 . 19155 1 59 . 1 1 10 10 LYS HG3 H 1 1.670 0.000 . . . . . A 7 LYS HG3 . 19155 1 60 . 1 1 10 10 LYS HD2 H 1 1.712 0.000 . . . . . A 7 LYS HD2 . 19155 1 61 . 1 1 10 10 LYS HD3 H 1 1.712 0.000 . . . . . A 7 LYS HD3 . 19155 1 62 . 1 1 10 10 LYS HE2 H 1 2.945 0.000 . . . . . A 7 LYS HE2 . 19155 1 63 . 1 1 10 10 LYS HE3 H 1 2.945 0.000 . . . . . A 7 LYS HE3 . 19155 1 64 . 1 1 10 10 LYS C C 13 178.977 0.000 . . . . . A 7 LYS C . 19155 1 65 . 1 1 10 10 LYS CA C 13 59.793 0.000 . . . . . A 7 LYS CA . 19155 1 66 . 1 1 10 10 LYS CB C 13 32.850 0.000 . . . . . A 7 LYS CB . 19155 1 67 . 1 1 10 10 LYS CG C 13 25.287 0.000 . . . . . A 7 LYS CG . 19155 1 68 . 1 1 10 10 LYS CD C 13 29.274 0.000 . . . . . A 7 LYS CD . 19155 1 69 . 1 1 10 10 LYS CE C 13 41.775 0.000 . . . . . A 7 LYS CE . 19155 1 70 . 1 1 10 10 LYS N N 15 119.937 0.000 . . . . . A 7 LYS N . 19155 1 71 . 1 1 11 11 ALA H H 1 7.976 0.000 . . . . . A 8 ALA H . 19155 1 72 . 1 1 11 11 ALA HA H 1 4.478 0.000 . . . . . A 8 ALA HA . 19155 1 73 . 1 1 11 11 ALA HB1 H 1 1.615 0.000 . . . . . A 8 ALA HB1 . 19155 1 74 . 1 1 11 11 ALA HB2 H 1 1.615 0.000 . . . . . A 8 ALA HB2 . 19155 1 75 . 1 1 11 11 ALA HB3 H 1 1.615 0.000 . . . . . A 8 ALA HB3 . 19155 1 76 . 1 1 11 11 ALA C C 13 178.764 0.000 . . . . . A 8 ALA C . 19155 1 77 . 1 1 11 11 ALA CA C 13 55.168 0.000 . . . . . A 8 ALA CA . 19155 1 78 . 1 1 11 11 ALA CB C 13 19.502 0.000 . . . . . A 8 ALA CB . 19155 1 79 . 1 1 11 11 ALA N N 15 122.436 0.000 . . . . . A 8 ALA N . 19155 1 80 . 1 1 12 12 ARG H H 1 8.489 0.000 . . . . . A 9 ARG H . 19155 1 81 . 1 1 12 12 ARG HA H 1 3.801 0.000 . . . . . A 9 ARG HA . 19155 1 82 . 1 1 12 12 ARG HB2 H 1 2.077 0.000 . . . . . A 9 ARG HB2 . 19155 1 83 . 1 1 12 12 ARG HB3 H 1 2.077 0.000 . . . . . A 9 ARG HB3 . 19155 1 84 . 1 1 12 12 ARG HG2 H 1 1.929 0.000 . . . . . A 9 ARG HG2 . 19155 1 85 . 1 1 12 12 ARG HG3 H 1 1.591 0.000 . . . . . A 9 ARG HG3 . 19155 1 86 . 1 1 12 12 ARG HD2 H 1 3.241 0.000 . . . . . A 9 ARG HD2 . 19155 1 87 . 1 1 12 12 ARG HD3 H 1 3.307 0.000 . . . . . A 9 ARG HD3 . 19155 1 88 . 1 1 12 12 ARG HE H 1 7.488 0.000 . . . . . A 9 ARG HE . 19155 1 89 . 1 1 12 12 ARG C C 13 177.874 0.000 . . . . . A 9 ARG C . 19155 1 90 . 1 1 12 12 ARG CA C 13 59.794 0.000 . . . . . A 9 ARG CA . 19155 1 91 . 1 1 12 12 ARG CB C 13 29.989 0.000 . . . . . A 9 ARG CB . 19155 1 92 . 1 1 12 12 ARG CG C 13 27.774 0.000 . . . . . A 9 ARG CG . 19155 1 93 . 1 1 12 12 ARG CD C 13 43.621 0.000 . . . . . A 9 ARG CD . 19155 1 94 . 1 1 12 12 ARG N N 15 118.059 0.000 . . . . . A 9 ARG N . 19155 1 95 . 1 1 12 12 ARG NE N 15 83.843 0.000 . . . . . A 9 ARG NE . 19155 1 96 . 1 1 13 13 LYS H H 1 7.833 0.000 . . . . . A 10 LYS H . 19155 1 97 . 1 1 13 13 LYS HA H 1 4.138 0.000 . . . . . A 10 LYS HA . 19155 1 98 . 1 1 13 13 LYS HB2 H 1 1.949 0.000 . . . . . A 10 LYS HB2 . 19155 1 99 . 1 1 13 13 LYS HB3 H 1 1.949 0.000 . . . . . A 10 LYS HB3 . 19155 1 100 . 1 1 13 13 LYS HG2 H 1 1.467 0.000 . . . . . A 10 LYS HG2 . 19155 1 101 . 1 1 13 13 LYS HG3 H 1 1.467 0.000 . . . . . A 10 LYS HG3 . 19155 1 102 . 1 1 13 13 LYS HD2 H 1 1.627 0.000 . . . . . A 10 LYS HD2 . 19155 1 103 . 1 1 13 13 LYS HD3 H 1 1.627 0.000 . . . . . A 10 LYS HD3 . 19155 1 104 . 1 1 13 13 LYS HE2 H 1 2.959 0.000 . . . . . A 10 LYS HE2 . 19155 1 105 . 1 1 13 13 LYS HE3 H 1 2.959 0.000 . . . . . A 10 LYS HE3 . 19155 1 106 . 1 1 13 13 LYS C C 13 178.619 0.000 . . . . . A 10 LYS C . 19155 1 107 . 1 1 13 13 LYS CA C 13 59.421 0.000 . . . . . A 10 LYS CA . 19155 1 108 . 1 1 13 13 LYS CB C 13 32.467 0.000 . . . . . A 10 LYS CB . 19155 1 109 . 1 1 13 13 LYS CG C 13 24.957 0.000 . . . . . A 10 LYS CG . 19155 1 110 . 1 1 13 13 LYS CD C 13 25.313 0.000 . . . . . A 10 LYS CD . 19155 1 111 . 1 1 13 13 LYS CE C 13 41.475 0.000 . . . . . A 10 LYS CE . 19155 1 112 . 1 1 13 13 LYS N N 15 118.064 0.000 . . . . . A 10 LYS N . 19155 1 113 . 1 1 14 14 GLU H H 1 7.991 0.000 . . . . . A 11 GLU H . 19155 1 114 . 1 1 14 14 GLU HA H 1 4.107 0.000 . . . . . A 11 GLU HA . 19155 1 115 . 1 1 14 14 GLU HB2 H 1 2.264 0.000 . . . . . A 11 GLU HB2 . 19155 1 116 . 1 1 14 14 GLU HB3 H 1 2.169 0.000 . . . . . A 11 GLU HB3 . 19155 1 117 . 1 1 14 14 GLU HG2 H 1 2.420 0.000 . . . . . A 11 GLU HG2 . 19155 1 118 . 1 1 14 14 GLU HG3 H 1 2.320 0.000 . . . . . A 11 GLU HG3 . 19155 1 119 . 1 1 14 14 GLU C C 13 180.137 0.000 . . . . . A 11 GLU C . 19155 1 120 . 1 1 14 14 GLU CA C 13 59.803 0.000 . . . . . A 11 GLU CA . 19155 1 121 . 1 1 14 14 GLU CB C 13 29.248 0.000 . . . . . A 11 GLU CB . 19155 1 122 . 1 1 14 14 GLU CG C 13 36.085 0.000 . . . . . A 11 GLU CG . 19155 1 123 . 1 1 14 14 GLU N N 15 118.845 0.000 . . . . . A 11 GLU N . 19155 1 124 . 1 1 15 15 VAL H H 1 8.173 0.000 . . . . . A 12 VAL H . 19155 1 125 . 1 1 15 15 VAL HA H 1 3.851 0.000 . . . . . A 12 VAL HA . 19155 1 126 . 1 1 15 15 VAL HB H 1 2.222 0.000 . . . . . A 12 VAL HB . 19155 1 127 . 1 1 15 15 VAL HG11 H 1 1.133 0.000 . . . . . A 12 VAL HG11 . 19155 1 128 . 1 1 15 15 VAL HG12 H 1 1.133 0.000 . . . . . A 12 VAL HG12 . 19155 1 129 . 1 1 15 15 VAL HG13 H 1 1.133 0.000 . . . . . A 12 VAL HG13 . 19155 1 130 . 1 1 15 15 VAL HG21 H 1 0.998 0.000 . . . . . A 12 VAL HG21 . 19155 1 131 . 1 1 15 15 VAL HG22 H 1 0.998 0.000 . . . . . A 12 VAL HG22 . 19155 1 132 . 1 1 15 15 VAL HG23 H 1 0.998 0.000 . . . . . A 12 VAL HG23 . 19155 1 133 . 1 1 15 15 VAL C C 13 178.182 0.000 . . . . . A 12 VAL C . 19155 1 134 . 1 1 15 15 VAL CA C 13 66.625 0.000 . . . . . A 12 VAL CA . 19155 1 135 . 1 1 15 15 VAL CB C 13 31.784 0.000 . . . . . A 12 VAL CB . 19155 1 136 . 1 1 15 15 VAL CG1 C 13 23.139 0.000 . . . . . A 12 VAL CG1 . 19155 1 137 . 1 1 15 15 VAL CG2 C 13 21.051 0.000 . . . . . A 12 VAL CG2 . 19155 1 138 . 1 1 15 15 VAL N N 15 120.562 0.000 . . . . . A 12 VAL N . 19155 1 139 . 1 1 16 16 GLU H H 1 8.624 0.000 . . . . . A 13 GLU H . 19155 1 140 . 1 1 16 16 GLU HA H 1 3.841 0.000 . . . . . A 13 GLU HA . 19155 1 141 . 1 1 16 16 GLU HB2 H 1 2.110 0.000 . . . . . A 13 GLU HB2 . 19155 1 142 . 1 1 16 16 GLU HB3 H 1 2.332 0.000 . . . . . A 13 GLU HB3 . 19155 1 143 . 1 1 16 16 GLU HG2 H 1 2.202 0.000 . . . . . A 13 GLU HG2 . 19155 1 144 . 1 1 16 16 GLU HG3 H 1 2.593 0.000 . . . . . A 13 GLU HG3 . 19155 1 145 . 1 1 16 16 GLU C C 13 179.959 0.000 . . . . . A 13 GLU C . 19155 1 146 . 1 1 16 16 GLU CA C 13 60.498 0.000 . . . . . A 13 GLU CA . 19155 1 147 . 1 1 16 16 GLU CB C 13 30.014 0.000 . . . . . A 13 GLU CB . 19155 1 148 . 1 1 16 16 GLU CG C 13 37.569 0.000 . . . . . A 13 GLU CG . 19155 1 149 . 1 1 16 16 GLU N N 15 117.912 0.000 . . . . . A 13 GLU N . 19155 1 150 . 1 1 17 17 GLU H H 1 8.904 0.000 . . . . . A 14 GLU H . 19155 1 151 . 1 1 17 17 GLU HA H 1 4.025 0.000 . . . . . A 14 GLU HA . 19155 1 152 . 1 1 17 17 GLU HB2 H 1 2.117 0.000 . . . . . A 14 GLU HB2 . 19155 1 153 . 1 1 17 17 GLU HB3 H 1 2.231 0.000 . . . . . A 14 GLU HB3 . 19155 1 154 . 1 1 17 17 GLU HG2 H 1 2.313 0.000 . . . . . A 14 GLU HG2 . 19155 1 155 . 1 1 17 17 GLU HG3 H 1 2.467 0.000 . . . . . A 14 GLU HG3 . 19155 1 156 . 1 1 17 17 GLU C C 13 179.020 0.000 . . . . . A 14 GLU C . 19155 1 157 . 1 1 17 17 GLU CA C 13 59.442 0.000 . . . . . A 14 GLU CA . 19155 1 158 . 1 1 17 17 GLU CB C 13 29.257 0.000 . . . . . A 14 GLU CB . 19155 1 159 . 1 1 17 17 GLU CG C 13 36.444 0.000 . . . . . A 14 GLU CG . 19155 1 160 . 1 1 17 17 GLU N N 15 117.909 0.000 . . . . . A 14 GLU N . 19155 1 161 . 1 1 18 18 TYR H H 1 8.170 0.000 . . . . . A 15 TYR H . 19155 1 162 . 1 1 18 18 TYR HA H 1 4.359 0.000 . . . . . A 15 TYR HA . 19155 1 163 . 1 1 18 18 TYR HB2 H 1 3.034 0.000 . . . . . A 15 TYR HB2 . 19155 1 164 . 1 1 18 18 TYR HB3 H 1 3.313 0.000 . . . . . A 15 TYR HB3 . 19155 1 165 . 1 1 18 18 TYR HD1 H 1 7.064 0.000 . . . . . A 15 TYR HD1 . 19155 1 166 . 1 1 18 18 TYR HD2 H 1 7.064 0.000 . . . . . A 15 TYR HD2 . 19155 1 167 . 1 1 18 18 TYR HE1 H 1 6.822 0.000 . . . . . A 15 TYR HE1 . 19155 1 168 . 1 1 18 18 TYR HE2 H 1 6.822 0.000 . . . . . A 15 TYR HE2 . 19155 1 169 . 1 1 18 18 TYR C C 13 177.581 0.000 . . . . . A 15 TYR C . 19155 1 170 . 1 1 18 18 TYR CA C 13 62.430 0.000 . . . . . A 15 TYR CA . 19155 1 171 . 1 1 18 18 TYR CB C 13 38.541 0.000 . . . . . A 15 TYR CB . 19155 1 172 . 1 1 18 18 TYR CD2 C 13 137.092 0.000 . . . . . A 15 TYR CD2 . 19155 1 173 . 1 1 18 18 TYR N N 15 122.592 0.000 . . . . . A 15 TYR N . 19155 1 174 . 1 1 19 19 VAL H H 1 7.953 0.000 . . . . . A 16 VAL H . 19155 1 175 . 1 1 19 19 VAL HA H 1 3.386 0.000 . . . . . A 16 VAL HA . 19155 1 176 . 1 1 19 19 VAL HB H 1 2.123 0.000 . . . . . A 16 VAL HB . 19155 1 177 . 1 1 19 19 VAL HG11 H 1 1.132 0.000 . . . . . A 16 VAL HG11 . 19155 1 178 . 1 1 19 19 VAL HG12 H 1 1.132 0.000 . . . . . A 16 VAL HG12 . 19155 1 179 . 1 1 19 19 VAL HG13 H 1 1.132 0.000 . . . . . A 16 VAL HG13 . 19155 1 180 . 1 1 19 19 VAL HG21 H 1 0.943 0.000 . . . . . A 16 VAL HG21 . 19155 1 181 . 1 1 19 19 VAL HG22 H 1 0.943 0.000 . . . . . A 16 VAL HG22 . 19155 1 182 . 1 1 19 19 VAL HG23 H 1 0.943 0.000 . . . . . A 16 VAL HG23 . 19155 1 183 . 1 1 19 19 VAL C C 13 177.221 0.000 . . . . . A 16 VAL C . 19155 1 184 . 1 1 19 19 VAL CA C 13 68.053 0.000 . . . . . A 16 VAL CA . 19155 1 185 . 1 1 19 19 VAL CB C 13 31.427 0.000 . . . . . A 16 VAL CB . 19155 1 186 . 1 1 19 19 VAL CG1 C 13 23.815 0.000 . . . . . A 16 VAL CG1 . 19155 1 187 . 1 1 19 19 VAL CG2 C 13 22.074 0.000 . . . . . A 16 VAL CG2 . 19155 1 188 . 1 1 19 19 VAL N N 15 116.497 0.000 . . . . . A 16 VAL N . 19155 1 189 . 1 1 20 20 LYS H H 1 8.274 0.000 . . . . . A 17 LYS H . 19155 1 190 . 1 1 20 20 LYS HA H 1 3.922 0.000 . . . . . A 17 LYS HA . 19155 1 191 . 1 1 20 20 LYS HB2 H 1 1.953 0.000 . . . . . A 17 LYS HB2 . 19155 1 192 . 1 1 20 20 LYS HB3 H 1 1.953 0.000 . . . . . A 17 LYS HB3 . 19155 1 193 . 1 1 20 20 LYS HG2 H 1 1.434 0.000 . . . . . A 17 LYS HG2 . 19155 1 194 . 1 1 20 20 LYS HG3 H 1 1.624 0.000 . . . . . A 17 LYS HG3 . 19155 1 195 . 1 1 20 20 LYS HD2 H 1 1.729 0.000 . . . . . A 17 LYS HD2 . 19155 1 196 . 1 1 20 20 LYS HD3 H 1 1.729 0.000 . . . . . A 17 LYS HD3 . 19155 1 197 . 1 1 20 20 LYS HE2 H 1 2.955 0.000 . . . . . A 17 LYS HE2 . 19155 1 198 . 1 1 20 20 LYS HE3 H 1 2.955 0.000 . . . . . A 17 LYS HE3 . 19155 1 199 . 1 1 20 20 LYS C C 13 179.742 0.000 . . . . . A 17 LYS C . 19155 1 200 . 1 1 20 20 LYS CA C 13 60.145 0.000 . . . . . A 17 LYS CA . 19155 1 201 . 1 1 20 20 LYS CB C 13 32.827 0.000 . . . . . A 17 LYS CB . 19155 1 202 . 1 1 20 20 LYS CG C 13 25.300 0.000 . . . . . A 17 LYS CG . 19155 1 203 . 1 1 20 20 LYS CD C 13 29.257 0.000 . . . . . A 17 LYS CD . 19155 1 204 . 1 1 20 20 LYS N N 15 118.530 0.000 . . . . . A 17 LYS N . 19155 1 205 . 1 1 21 21 LYS H H 1 7.946 0.000 . . . . . A 18 LYS H . 19155 1 206 . 1 1 21 21 LYS HA H 1 4.018 0.000 . . . . . A 18 LYS HA . 19155 1 207 . 1 1 21 21 LYS HB2 H 1 1.971 0.000 . . . . . A 18 LYS HB2 . 19155 1 208 . 1 1 21 21 LYS HB3 H 1 1.971 0.000 . . . . . A 18 LYS HB3 . 19155 1 209 . 1 1 21 21 LYS HG2 H 1 1.484 0.000 . . . . . A 18 LYS HG2 . 19155 1 210 . 1 1 21 21 LYS HG3 H 1 1.623 0.000 . . . . . A 18 LYS HG3 . 19155 1 211 . 1 1 21 21 LYS HD2 H 1 1.763 0.000 . . . . . A 18 LYS HD2 . 19155 1 212 . 1 1 21 21 LYS HD3 H 1 1.763 0.000 . . . . . A 18 LYS HD3 . 19155 1 213 . 1 1 21 21 LYS HE2 H 1 2.971 0.000 . . . . . A 18 LYS HE2 . 19155 1 214 . 1 1 21 21 LYS HE3 H 1 2.971 0.000 . . . . . A 18 LYS HE3 . 19155 1 215 . 1 1 21 21 LYS C C 13 178.962 0.000 . . . . . A 18 LYS C . 19155 1 216 . 1 1 21 21 LYS CA C 13 59.085 0.000 . . . . . A 18 LYS CA . 19155 1 217 . 1 1 21 21 LYS CB C 13 32.132 0.000 . . . . . A 18 LYS CB . 19155 1 218 . 1 1 21 21 LYS CG C 13 25.300 0.000 . . . . . A 18 LYS CG . 19155 1 219 . 1 1 21 21 LYS CD C 13 29.257 0.000 . . . . . A 18 LYS CD . 19155 1 220 . 1 1 21 21 LYS CE C 13 41.532 0.000 . . . . . A 18 LYS CE . 19155 1 221 . 1 1 21 21 LYS N N 15 121.031 0.000 . . . . . A 18 LYS N . 19155 1 222 . 1 1 22 22 ILE H H 1 7.796 0.000 . . . . . A 19 ILE H . 19155 1 223 . 1 1 22 22 ILE HA H 1 3.727 0.000 . . . . . A 19 ILE HA . 19155 1 224 . 1 1 22 22 ILE HB H 1 1.806 0.000 . . . . . A 19 ILE HB . 19155 1 225 . 1 1 22 22 ILE HG12 H 1 0.935 0.000 . . . . . A 19 ILE HG12 . 19155 1 226 . 1 1 22 22 ILE HG13 H 1 1.134 0.000 . . . . . A 19 ILE HG13 . 19155 1 227 . 1 1 22 22 ILE HG21 H 1 0.749 0.000 . . . . . A 19 ILE HG21 . 19155 1 228 . 1 1 22 22 ILE HG22 H 1 0.749 0.000 . . . . . A 19 ILE HG22 . 19155 1 229 . 1 1 22 22 ILE HG23 H 1 0.749 0.000 . . . . . A 19 ILE HG23 . 19155 1 230 . 1 1 22 22 ILE HD11 H 1 0.489 0.000 . . . . . A 19 ILE HD11 . 19155 1 231 . 1 1 22 22 ILE HD12 H 1 0.489 0.000 . . . . . A 19 ILE HD12 . 19155 1 232 . 1 1 22 22 ILE HD13 H 1 0.489 0.000 . . . . . A 19 ILE HD13 . 19155 1 233 . 1 1 22 22 ILE C C 13 172.120 0.000 . . . . . A 19 ILE C . 19155 1 234 . 1 1 22 22 ILE CA C 13 62.128 0.000 . . . . . A 19 ILE CA . 19155 1 235 . 1 1 22 22 ILE CB C 13 35.988 0.000 . . . . . A 19 ILE CB . 19155 1 236 . 1 1 22 22 ILE CG1 C 13 27.433 0.000 . . . . . A 19 ILE CG1 . 19155 1 237 . 1 1 22 22 ILE CG2 C 13 19.111 0.000 . . . . . A 19 ILE CG2 . 19155 1 238 . 1 1 22 22 ILE CD1 C 13 9.516 0.000 . . . . . A 19 ILE CD1 . 19155 1 239 . 1 1 22 22 ILE N N 15 120.718 0.000 . . . . . A 19 ILE N . 19155 1 240 . 1 1 23 23 VAL H H 1 9.190 0.000 . . . . . A 20 VAL H . 19155 1 241 . 1 1 23 23 VAL HA H 1 3.312 0.000 . . . . . A 20 VAL HA . 19155 1 242 . 1 1 23 23 VAL HB H 1 2.211 0.000 . . . . . A 20 VAL HB . 19155 1 243 . 1 1 23 23 VAL HG11 H 1 1.035 0.000 . . . . . A 20 VAL HG11 . 19155 1 244 . 1 1 23 23 VAL HG12 H 1 1.035 0.000 . . . . . A 20 VAL HG12 . 19155 1 245 . 1 1 23 23 VAL HG13 H 1 1.035 0.000 . . . . . A 20 VAL HG13 . 19155 1 246 . 1 1 23 23 VAL HG21 H 1 0.987 0.000 . . . . . A 20 VAL HG21 . 19155 1 247 . 1 1 23 23 VAL HG22 H 1 0.987 0.000 . . . . . A 20 VAL HG22 . 19155 1 248 . 1 1 23 23 VAL HG23 H 1 0.987 0.000 . . . . . A 20 VAL HG23 . 19155 1 249 . 1 1 23 23 VAL C C 13 177.873 0.000 . . . . . A 20 VAL C . 19155 1 250 . 1 1 23 23 VAL CA C 13 67.738 0.000 . . . . . A 20 VAL CA . 19155 1 251 . 1 1 23 23 VAL CB C 13 31.772 0.000 . . . . . A 20 VAL CB . 19155 1 252 . 1 1 23 23 VAL CG1 C 13 24.585 0.000 . . . . . A 20 VAL CG1 . 19155 1 253 . 1 1 23 23 VAL CG2 C 13 22.069 0.000 . . . . . A 20 VAL CG2 . 19155 1 254 . 1 1 23 23 VAL N N 15 124.792 0.000 . . . . . A 20 VAL N . 19155 1 255 . 1 1 24 24 GLY H H 1 8.117 0.000 . . . . . A 21 GLY H . 19155 1 256 . 1 1 24 24 GLY HA2 H 1 4.016 0.000 . . . . . A 21 GLY HA2 . 19155 1 257 . 1 1 24 24 GLY HA3 H 1 4.016 0.000 . . . . . A 21 GLY HA3 . 19155 1 258 . 1 1 24 24 GLY C C 13 177.470 0.000 . . . . . A 21 GLY C . 19155 1 259 . 1 1 24 24 GLY CA C 13 47.226 0.000 . . . . . A 21 GLY CA . 19155 1 260 . 1 1 24 24 GLY N N 15 106.034 0.000 . . . . . A 21 GLY N . 19155 1 261 . 1 1 25 25 GLU H H 1 8.197 0.000 . . . . . A 22 GLU H . 19155 1 262 . 1 1 25 25 GLU HA H 1 4.104 0.000 . . . . . A 22 GLU HA . 19155 1 263 . 1 1 25 25 GLU HB2 H 1 2.131 0.000 . . . . . A 22 GLU HB2 . 19155 1 264 . 1 1 25 25 GLU HB3 H 1 1.994 0.000 . . . . . A 22 GLU HB3 . 19155 1 265 . 1 1 25 25 GLU HG2 H 1 2.244 0.000 . . . . . A 22 GLU HG2 . 19155 1 266 . 1 1 25 25 GLU HG3 H 1 2.516 0.000 . . . . . A 22 GLU HG3 . 19155 1 267 . 1 1 25 25 GLU C C 13 178.827 0.000 . . . . . A 22 GLU C . 19155 1 268 . 1 1 25 25 GLU CA C 13 59.016 0.000 . . . . . A 22 GLU CA . 19155 1 269 . 1 1 25 25 GLU CB C 13 29.619 0.000 . . . . . A 22 GLU CB . 19155 1 270 . 1 1 25 25 GLU CG C 13 36.462 0.000 . . . . . A 22 GLU CG . 19155 1 271 . 1 1 25 25 GLU N N 15 122.282 0.000 . . . . . A 22 GLU N . 19155 1 272 . 1 1 26 26 SER H H 1 8.285 0.000 . . . . . A 23 SER H . 19155 1 273 . 1 1 26 26 SER HA H 1 4.201 0.000 . . . . . A 23 SER HA . 19155 1 274 . 1 1 26 26 SER HB2 H 1 3.534 0.000 . . . . . A 23 SER HB2 . 19155 1 275 . 1 1 26 26 SER HB3 H 1 3.910 0.000 . . . . . A 23 SER HB3 . 19155 1 276 . 1 1 26 26 SER C C 13 177.084 0.000 . . . . . A 23 SER C . 19155 1 277 . 1 1 26 26 SER CA C 13 61.998 0.000 . . . . . A 23 SER CA . 19155 1 278 . 1 1 26 26 SER CB C 13 62.105 0.000 . . . . . A 23 SER CB . 19155 1 279 . 1 1 26 26 SER N N 15 116.812 0.000 . . . . . A 23 SER N . 19155 1 280 . 1 1 27 27 TYR H H 1 8.254 0.000 . . . . . A 24 TYR H . 19155 1 281 . 1 1 27 27 TYR HA H 1 4.396 0.000 . . . . . A 24 TYR HA . 19155 1 282 . 1 1 27 27 TYR HB2 H 1 2.972 0.000 . . . . . A 24 TYR HB2 . 19155 1 283 . 1 1 27 27 TYR HB3 H 1 3.152 0.000 . . . . . A 24 TYR HB3 . 19155 1 284 . 1 1 27 27 TYR HD1 H 1 7.160 0.000 . . . . . A 24 TYR HD1 . 19155 1 285 . 1 1 27 27 TYR HD2 H 1 7.160 0.000 . . . . . A 24 TYR HD2 . 19155 1 286 . 1 1 27 27 TYR HE1 H 1 6.707 0.000 . . . . . A 24 TYR HE1 . 19155 1 287 . 1 1 27 27 TYR HE2 H 1 6.707 0.000 . . . . . A 24 TYR HE2 . 19155 1 288 . 1 1 27 27 TYR C C 13 178.846 0.000 . . . . . A 24 TYR C . 19155 1 289 . 1 1 27 27 TYR CA C 13 61.189 0.000 . . . . . A 24 TYR CA . 19155 1 290 . 1 1 27 27 TYR CB C 13 37.866 0.000 . . . . . A 24 TYR CB . 19155 1 291 . 1 1 27 27 TYR N N 15 120.879 0.000 . . . . . A 24 TYR N . 19155 1 292 . 1 1 28 28 ALA H H 1 8.018 0.000 . . . . . A 25 ALA H . 19155 1 293 . 1 1 28 28 ALA HA H 1 4.251 0.000 . . . . . A 25 ALA HA . 19155 1 294 . 1 1 28 28 ALA HB1 H 1 1.558 0.000 . . . . . A 25 ALA HB1 . 19155 1 295 . 1 1 28 28 ALA HB2 H 1 1.558 0.000 . . . . . A 25 ALA HB2 . 19155 1 296 . 1 1 28 28 ALA HB3 H 1 1.558 0.000 . . . . . A 25 ALA HB3 . 19155 1 297 . 1 1 28 28 ALA C C 13 178.999 0.000 . . . . . A 25 ALA C . 19155 1 298 . 1 1 28 28 ALA CA C 13 54.608 0.000 . . . . . A 25 ALA CA . 19155 1 299 . 1 1 28 28 ALA CB C 13 18.108 0.000 . . . . . A 25 ALA CB . 19155 1 300 . 1 1 28 28 ALA N N 15 122.124 0.000 . . . . . A 25 ALA N . 19155 1 301 . 1 1 29 29 LYS H H 1 7.533 0.000 . . . . . A 26 LYS H . 19155 1 302 . 1 1 29 29 LYS HA H 1 4.459 0.000 . . . . . A 26 LYS HA . 19155 1 303 . 1 1 29 29 LYS HB2 H 1 1.896 0.000 . . . . . A 26 LYS HB2 . 19155 1 304 . 1 1 29 29 LYS HB3 H 1 1.965 0.000 . . . . . A 26 LYS HB3 . 19155 1 305 . 1 1 29 29 LYS HG2 H 1 1.597 0.000 . . . . . A 26 LYS HG2 . 19155 1 306 . 1 1 29 29 LYS HG3 H 1 1.597 0.000 . . . . . A 26 LYS HG3 . 19155 1 307 . 1 1 29 29 LYS HD2 H 1 1.022 0.000 . . . . . A 26 LYS HD2 . 19155 1 308 . 1 1 29 29 LYS HD3 H 1 1.022 0.000 . . . . . A 26 LYS HD3 . 19155 1 309 . 1 1 29 29 LYS HE2 H 1 2.977 0.000 . . . . . A 26 LYS HE2 . 19155 1 310 . 1 1 29 29 LYS HE3 H 1 2.977 0.000 . . . . . A 26 LYS HE3 . 19155 1 311 . 1 1 29 29 LYS C C 13 176.598 0.000 . . . . . A 26 LYS C . 19155 1 312 . 1 1 29 29 LYS CA C 13 56.209 0.000 . . . . . A 26 LYS CA . 19155 1 313 . 1 1 29 29 LYS CB C 13 33.191 0.000 . . . . . A 26 LYS CB . 19155 1 314 . 1 1 29 29 LYS CG C 13 24.988 0.000 . . . . . A 26 LYS CG . 19155 1 315 . 1 1 29 29 LYS CD C 13 25.293 0.000 . . . . . A 26 LYS CD . 19155 1 316 . 1 1 29 29 LYS N N 15 115.251 0.000 . . . . . A 26 LYS N . 19155 1 317 . 1 1 30 30 SER H H 1 7.570 0.000 . . . . . A 27 SER H . 19155 1 318 . 1 1 30 30 SER HA H 1 4.332 0.000 . . . . . A 27 SER HA . 19155 1 319 . 1 1 30 30 SER HB2 H 1 4.092 0.000 . . . . . A 27 SER HB2 . 19155 1 320 . 1 1 30 30 SER HB3 H 1 4.092 0.000 . . . . . A 27 SER HB3 . 19155 1 321 . 1 1 30 30 SER C C 13 174.768 0.000 . . . . . A 27 SER C . 19155 1 322 . 1 1 30 30 SER CA C 13 58.808 0.000 . . . . . A 27 SER CA . 19155 1 323 . 1 1 30 30 SER CB C 13 63.397 0.000 . . . . . A 27 SER CB . 19155 1 324 . 1 1 30 30 SER N N 15 115.400 0.000 . . . . . A 27 SER N . 19155 1 325 . 1 1 31 31 THR H H 1 7.725 0.000 . . . . . A 28 THR H . 19155 1 326 . 1 1 31 31 THR HA H 1 4.649 0.000 . . . . . A 28 THR HA . 19155 1 327 . 1 1 31 31 THR HB H 1 4.567 0.000 . . . . . A 28 THR HB . 19155 1 328 . 1 1 31 31 THR HG21 H 1 1.300 0.000 . . . . . A 28 THR HG21 . 19155 1 329 . 1 1 31 31 THR HG22 H 1 1.300 0.000 . . . . . A 28 THR HG22 . 19155 1 330 . 1 1 31 31 THR HG23 H 1 1.300 0.000 . . . . . A 28 THR HG23 . 19155 1 331 . 1 1 31 31 THR CA C 13 60.242 0.000 . . . . . A 28 THR CA . 19155 1 332 . 1 1 31 31 THR CB C 13 71.544 0.000 . . . . . A 28 THR CB . 19155 1 333 . 1 1 31 31 THR CG2 C 13 22.069 0.000 . . . . . A 28 THR CG2 . 19155 1 334 . 1 1 31 31 THR N N 15 114.468 0.000 . . . . . A 28 THR N . 19155 1 335 . 1 1 32 32 LYS HA H 1 4.300 0.000 . . . . . A 29 LYS HA . 19155 1 336 . 1 1 32 32 LYS HB2 H 1 1.887 0.000 . . . . . A 29 LYS HB2 . 19155 1 337 . 1 1 32 32 LYS HB3 H 1 1.887 0.000 . . . . . A 29 LYS HB3 . 19155 1 338 . 1 1 32 32 LYS HG2 H 1 1.505 0.000 . . . . . A 29 LYS HG2 . 19155 1 339 . 1 1 32 32 LYS HG3 H 1 1.572 0.000 . . . . . A 29 LYS HG3 . 19155 1 340 . 1 1 32 32 LYS HD2 H 1 1.751 0.000 . . . . . A 29 LYS HD2 . 19155 1 341 . 1 1 32 32 LYS HD3 H 1 1.751 0.000 . . . . . A 29 LYS HD3 . 19155 1 342 . 1 1 32 32 LYS HE2 H 1 3.044 0.000 . . . . . A 29 LYS HE2 . 19155 1 343 . 1 1 32 32 LYS HE3 H 1 3.044 0.000 . . . . . A 29 LYS HE3 . 19155 1 344 . 1 1 32 32 LYS CA C 13 57.974 0.000 . . . . . A 29 LYS CA . 19155 1 345 . 1 1 32 32 LYS CB C 13 32.820 0.000 . . . . . A 29 LYS CB . 19155 1 346 . 1 1 32 32 LYS CG C 13 25.303 0.000 . . . . . A 29 LYS CG . 19155 1 347 . 1 1 32 32 LYS CD C 13 28.897 0.000 . . . . . A 29 LYS CD . 19155 1 348 . 1 1 32 32 LYS CE C 13 41.475 0.000 . . . . . A 29 LYS CE . 19155 1 349 . 1 1 33 33 LYS HA H 1 4.154 0.000 . . . . . A 30 LYS HA . 19155 1 350 . 1 1 33 33 LYS HB2 H 1 2.045 0.000 . . . . . A 30 LYS HB2 . 19155 1 351 . 1 1 33 33 LYS HB3 H 1 2.231 0.000 . . . . . A 30 LYS HB3 . 19155 1 352 . 1 1 33 33 LYS HG2 H 1 1.616 0.000 . . . . . A 30 LYS HG2 . 19155 1 353 . 1 1 33 33 LYS HG3 H 1 1.775 0.000 . . . . . A 30 LYS HG3 . 19155 1 354 . 1 1 33 33 LYS HD2 H 1 1.756 0.000 . . . . . A 30 LYS HD2 . 19155 1 355 . 1 1 33 33 LYS HD3 H 1 1.824 0.000 . . . . . A 30 LYS HD3 . 19155 1 356 . 1 1 33 33 LYS HE2 H 1 3.005 0.000 . . . . . A 30 LYS HE2 . 19155 1 357 . 1 1 33 33 LYS HE3 H 1 3.077 0.000 . . . . . A 30 LYS HE3 . 19155 1 358 . 1 1 33 33 LYS CA C 13 58.725 0.000 . . . . . A 30 LYS CA . 19155 1 359 . 1 1 33 33 LYS CG C 13 25.319 0.000 . . . . . A 30 LYS CG . 19155 1 360 . 1 1 33 33 LYS CD C 13 28.538 0.000 . . . . . A 30 LYS CD . 19155 1 361 . 1 1 33 33 LYS CE C 13 42.194 0.000 . . . . . A 30 LYS CE . 19155 1 362 . 1 1 34 34 ARG HA H 1 4.533 0.000 . . . . . A 31 ARG HA . 19155 1 363 . 1 1 34 34 ARG HB2 H 1 1.770 0.000 . . . . . A 31 ARG HB2 . 19155 1 364 . 1 1 34 34 ARG HB3 H 1 2.198 0.000 . . . . . A 31 ARG HB3 . 19155 1 365 . 1 1 34 34 ARG HG2 H 1 1.683 0.000 . . . . . A 31 ARG HG2 . 19155 1 366 . 1 1 34 34 ARG HG3 H 1 1.683 0.000 . . . . . A 31 ARG HG3 . 19155 1 367 . 1 1 34 34 ARG HD2 H 1 3.227 0.000 . . . . . A 31 ARG HD2 . 19155 1 368 . 1 1 34 34 ARG HD3 H 1 3.359 0.000 . . . . . A 31 ARG HD3 . 19155 1 369 . 1 1 34 34 ARG CA C 13 56.137 0.000 . . . . . A 31 ARG CA . 19155 1 370 . 1 1 34 34 ARG CB C 13 31.003 0.000 . . . . . A 31 ARG CB . 19155 1 371 . 1 1 34 34 ARG CG C 13 28.130 0.000 . . . . . A 31 ARG CG . 19155 1 372 . 1 1 34 34 ARG CD C 13 43.291 0.000 . . . . . A 31 ARG CD . 19155 1 373 . 1 1 35 35 HIS HA H 1 4.570 0.000 . . . . . A 32 HIS HA . 19155 1 374 . 1 1 35 35 HIS HB2 H 1 3.199 0.000 . . . . . A 32 HIS HB2 . 19155 1 375 . 1 1 35 35 HIS HB3 H 1 3.283 0.000 . . . . . A 32 HIS HB3 . 19155 1 376 . 1 1 35 35 HIS HD2 H 1 7.123 0.000 . . . . . A 32 HIS HD2 . 19155 1 377 . 1 1 35 35 HIS HE1 H 1 7.881 0.000 . . . . . A 32 HIS HE1 . 19155 1 378 . 1 1 35 35 HIS C C 13 176.136 0.000 . . . . . A 32 HIS C . 19155 1 379 . 1 1 35 35 HIS CA C 13 58.689 0.000 . . . . . A 32 HIS CA . 19155 1 380 . 1 1 35 35 HIS CB C 13 30.731 0.000 . . . . . A 32 HIS CB . 19155 1 381 . 1 1 35 35 HIS CD2 C 13 110.516 0.000 . . . . . A 32 HIS CD2 . 19155 1 382 . 1 1 36 36 THR H H 1 8.355 0.000 . . . . . A 33 THR H . 19155 1 383 . 1 1 36 36 THR HA H 1 3.976 0.000 . . . . . A 33 THR HA . 19155 1 384 . 1 1 36 36 THR HB H 1 4.290 0.000 . . . . . A 33 THR HB . 19155 1 385 . 1 1 36 36 THR HG21 H 1 1.345 0.000 . . . . . A 33 THR HG21 . 19155 1 386 . 1 1 36 36 THR HG22 H 1 1.345 0.000 . . . . . A 33 THR HG22 . 19155 1 387 . 1 1 36 36 THR HG23 H 1 1.345 0.000 . . . . . A 33 THR HG23 . 19155 1 388 . 1 1 36 36 THR C C 13 176.807 0.000 . . . . . A 33 THR C . 19155 1 389 . 1 1 36 36 THR CA C 13 65.194 0.000 . . . . . A 33 THR CA . 19155 1 390 . 1 1 36 36 THR CB C 13 68.428 0.000 . . . . . A 33 THR CB . 19155 1 391 . 1 1 36 36 THR CG2 C 13 22.156 0.000 . . . . . A 33 THR CG2 . 19155 1 392 . 1 1 36 36 THR N N 15 111.162 0.000 . . . . . A 33 THR N . 19155 1 393 . 1 1 37 37 ILE H H 1 7.824 0.000 . . . . . A 34 ILE H . 19155 1 394 . 1 1 37 37 ILE HA H 1 4.047 0.000 . . . . . A 34 ILE HA . 19155 1 395 . 1 1 37 37 ILE HB H 1 2.092 0.000 . . . . . A 34 ILE HB . 19155 1 396 . 1 1 37 37 ILE HG12 H 1 1.339 0.000 . . . . . A 34 ILE HG12 . 19155 1 397 . 1 1 37 37 ILE HG13 H 1 1.692 0.000 . . . . . A 34 ILE HG13 . 19155 1 398 . 1 1 37 37 ILE HG21 H 1 1.056 0.000 . . . . . A 34 ILE HG21 . 19155 1 399 . 1 1 37 37 ILE HG22 H 1 1.056 0.000 . . . . . A 34 ILE HG22 . 19155 1 400 . 1 1 37 37 ILE HG23 H 1 1.056 0.000 . . . . . A 34 ILE HG23 . 19155 1 401 . 1 1 37 37 ILE HD11 H 1 0.958 0.000 . . . . . A 34 ILE HD11 . 19155 1 402 . 1 1 37 37 ILE HD12 H 1 0.958 0.000 . . . . . A 34 ILE HD12 . 19155 1 403 . 1 1 37 37 ILE HD13 H 1 0.958 0.000 . . . . . A 34 ILE HD13 . 19155 1 404 . 1 1 37 37 ILE C C 13 176.944 0.000 . . . . . A 34 ILE C . 19155 1 405 . 1 1 37 37 ILE CA C 13 63.746 0.000 . . . . . A 34 ILE CA . 19155 1 406 . 1 1 37 37 ILE CB C 13 37.905 0.000 . . . . . A 34 ILE CB . 19155 1 407 . 1 1 37 37 ILE CG1 C 13 28.238 0.000 . . . . . A 34 ILE CG1 . 19155 1 408 . 1 1 37 37 ILE CG2 C 13 17.769 0.000 . . . . . A 34 ILE CG2 . 19155 1 409 . 1 1 37 37 ILE CD1 C 13 13.170 0.000 . . . . . A 34 ILE CD1 . 19155 1 410 . 1 1 37 37 ILE N N 15 123.220 0.000 . . . . . A 34 ILE N . 19155 1 411 . 1 1 38 38 THR H H 1 8.053 0.000 . . . . . A 35 THR H . 19155 1 412 . 1 1 38 38 THR HA H 1 4.103 0.000 . . . . . A 35 THR HA . 19155 1 413 . 1 1 38 38 THR HB H 1 4.320 0.000 . . . . . A 35 THR HB . 19155 1 414 . 1 1 38 38 THR HG21 H 1 0.938 0.000 . . . . . A 35 THR HG21 . 19155 1 415 . 1 1 38 38 THR HG22 H 1 0.938 0.000 . . . . . A 35 THR HG22 . 19155 1 416 . 1 1 38 38 THR HG23 H 1 0.938 0.000 . . . . . A 35 THR HG23 . 19155 1 417 . 1 1 38 38 THR C C 13 175.385 0.000 . . . . . A 35 THR C . 19155 1 418 . 1 1 38 38 THR CA C 13 63.339 0.000 . . . . . A 35 THR CA . 19155 1 419 . 1 1 38 38 THR CB C 13 68.428 0.000 . . . . . A 35 THR CB . 19155 1 420 . 1 1 38 38 THR CG2 C 13 22.092 0.000 . . . . . A 35 THR CG2 . 19155 1 421 . 1 1 38 38 THR N N 15 118.694 0.000 . . . . . A 35 THR N . 19155 1 422 . 1 1 39 39 VAL H H 1 8.148 0.000 . . . . . A 36 VAL H . 19155 1 423 . 1 1 39 39 VAL HA H 1 3.494 0.000 . . . . . A 36 VAL HA . 19155 1 424 . 1 1 39 39 VAL HB H 1 1.977 0.000 . . . . . A 36 VAL HB . 19155 1 425 . 1 1 39 39 VAL HG11 H 1 0.922 0.000 . . . . . A 36 VAL HG11 . 19155 1 426 . 1 1 39 39 VAL HG12 H 1 0.922 0.000 . . . . . A 36 VAL HG12 . 19155 1 427 . 1 1 39 39 VAL HG13 H 1 0.922 0.000 . . . . . A 36 VAL HG13 . 19155 1 428 . 1 1 39 39 VAL HG21 H 1 0.880 0.000 . . . . . A 36 VAL HG21 . 19155 1 429 . 1 1 39 39 VAL HG22 H 1 0.880 0.000 . . . . . A 36 VAL HG22 . 19155 1 430 . 1 1 39 39 VAL HG23 H 1 0.880 0.000 . . . . . A 36 VAL HG23 . 19155 1 431 . 1 1 39 39 VAL C C 13 177.667 0.000 . . . . . A 36 VAL C . 19155 1 432 . 1 1 39 39 VAL CA C 13 66.312 0.000 . . . . . A 36 VAL CA . 19155 1 433 . 1 1 39 39 VAL CB C 13 31.787 0.000 . . . . . A 36 VAL CB . 19155 1 434 . 1 1 39 39 VAL CG1 C 13 21.038 0.000 . . . . . A 36 VAL CG1 . 19155 1 435 . 1 1 39 39 VAL CG2 C 13 22.355 0.000 . . . . . A 36 VAL CG2 . 19155 1 436 . 1 1 39 39 VAL N N 15 120.252 0.000 . . . . . A 36 VAL N . 19155 1 437 . 1 1 40 40 ALA H H 1 7.526 0.000 . . . . . A 37 ALA H . 19155 1 438 . 1 1 40 40 ALA HA H 1 4.168 0.000 . . . . . A 37 ALA HA . 19155 1 439 . 1 1 40 40 ALA HB1 H 1 1.586 0.000 . . . . . A 37 ALA HB1 . 19155 1 440 . 1 1 40 40 ALA HB2 H 1 1.586 0.000 . . . . . A 37 ALA HB2 . 19155 1 441 . 1 1 40 40 ALA HB3 H 1 1.586 0.000 . . . . . A 37 ALA HB3 . 19155 1 442 . 1 1 40 40 ALA C C 13 180.404 0.000 . . . . . A 37 ALA C . 19155 1 443 . 1 1 40 40 ALA CA C 13 55.062 0.000 . . . . . A 37 ALA CA . 19155 1 444 . 1 1 40 40 ALA CB C 13 18.114 0.000 . . . . . A 37 ALA CB . 19155 1 445 . 1 1 40 40 ALA N N 15 121.815 0.000 . . . . . A 37 ALA N . 19155 1 446 . 1 1 41 41 LEU H H 1 7.987 0.000 . . . . . A 38 LEU H . 19155 1 447 . 1 1 41 41 LEU HA H 1 3.574 0.000 . . . . . A 38 LEU HA . 19155 1 448 . 1 1 41 41 LEU HB2 H 1 0.901 0.000 . . . . . A 38 LEU HB2 . 19155 1 449 . 1 1 41 41 LEU HB3 H 1 1.792 0.000 . . . . . A 38 LEU HB3 . 19155 1 450 . 1 1 41 41 LEU HG H 1 1.218 0.000 . . . . . A 38 LEU HG . 19155 1 451 . 1 1 41 41 LEU HD11 H 1 0.756 0.000 . . . . . A 38 LEU HD11 . 19155 1 452 . 1 1 41 41 LEU HD12 H 1 0.756 0.000 . . . . . A 38 LEU HD12 . 19155 1 453 . 1 1 41 41 LEU HD13 H 1 0.756 0.000 . . . . . A 38 LEU HD13 . 19155 1 454 . 1 1 41 41 LEU HD21 H 1 0.745 0.000 . . . . . A 38 LEU HD21 . 19155 1 455 . 1 1 41 41 LEU HD22 H 1 0.745 0.000 . . . . . A 38 LEU HD22 . 19155 1 456 . 1 1 41 41 LEU HD23 H 1 0.745 0.000 . . . . . A 38 LEU HD23 . 19155 1 457 . 1 1 41 41 LEU C C 13 177.815 0.000 . . . . . A 38 LEU C . 19155 1 458 . 1 1 41 41 LEU CA C 13 57.671 0.000 . . . . . A 38 LEU CA . 19155 1 459 . 1 1 41 41 LEU CB C 13 40.383 0.000 . . . . . A 38 LEU CB . 19155 1 460 . 1 1 41 41 LEU CG C 13 27.397 0.000 . . . . . A 38 LEU CG . 19155 1 461 . 1 1 41 41 LEU CD1 C 13 22.773 0.000 . . . . . A 38 LEU CD1 . 19155 1 462 . 1 1 41 41 LEU CD2 C 13 25.673 0.000 . . . . . A 38 LEU CD2 . 19155 1 463 . 1 1 41 41 LEU N N 15 122.124 0.000 . . . . . A 38 LEU N . 19155 1 464 . 1 1 42 42 VAL H H 1 8.410 0.000 . . . . . A 39 VAL H . 19155 1 465 . 1 1 42 42 VAL HA H 1 3.295 0.000 . . . . . A 39 VAL HA . 19155 1 466 . 1 1 42 42 VAL HB H 1 2.110 0.000 . . . . . A 39 VAL HB . 19155 1 467 . 1 1 42 42 VAL HG11 H 1 0.957 0.000 . . . . . A 39 VAL HG11 . 19155 1 468 . 1 1 42 42 VAL HG12 H 1 0.957 0.000 . . . . . A 39 VAL HG12 . 19155 1 469 . 1 1 42 42 VAL HG13 H 1 0.957 0.000 . . . . . A 39 VAL HG13 . 19155 1 470 . 1 1 42 42 VAL HG21 H 1 0.764 0.000 . . . . . A 39 VAL HG21 . 19155 1 471 . 1 1 42 42 VAL HG22 H 1 0.764 0.000 . . . . . A 39 VAL HG22 . 19155 1 472 . 1 1 42 42 VAL HG23 H 1 0.764 0.000 . . . . . A 39 VAL HG23 . 19155 1 473 . 1 1 42 42 VAL C C 13 178.084 0.000 . . . . . A 39 VAL C . 19155 1 474 . 1 1 42 42 VAL CA C 13 67.710 0.000 . . . . . A 39 VAL CA . 19155 1 475 . 1 1 42 42 VAL CB C 13 31.393 0.000 . . . . . A 39 VAL CB . 19155 1 476 . 1 1 42 42 VAL CG1 C 13 21.376 0.000 . . . . . A 39 VAL CG1 . 19155 1 477 . 1 1 42 42 VAL CG2 C 13 23.105 0.000 . . . . . A 39 VAL CG2 . 19155 1 478 . 1 1 42 42 VAL N N 15 119.627 0.000 . . . . . A 39 VAL N . 19155 1 479 . 1 1 43 43 ASN H H 1 8.211 0.000 . . . . . A 40 ASN H . 19155 1 480 . 1 1 43 43 ASN HA H 1 4.528 0.000 . . . . . A 40 ASN HA . 19155 1 481 . 1 1 43 43 ASN HB2 H 1 2.884 0.000 . . . . . A 40 ASN HB2 . 19155 1 482 . 1 1 43 43 ASN HB3 H 1 2.884 0.000 . . . . . A 40 ASN HB3 . 19155 1 483 . 1 1 43 43 ASN HD21 H 1 7.739 0.000 . . . . . A 40 ASN HD21 . 19155 1 484 . 1 1 43 43 ASN HD22 H 1 6.978 0.000 . . . . . A 40 ASN HD22 . 19155 1 485 . 1 1 43 43 ASN C C 13 177.814 0.000 . . . . . A 40 ASN C . 19155 1 486 . 1 1 43 43 ASN CA C 13 56.214 0.000 . . . . . A 40 ASN CA . 19155 1 487 . 1 1 43 43 ASN CB C 13 37.990 0.000 . . . . . A 40 ASN CB . 19155 1 488 . 1 1 43 43 ASN CG C 13 176.112 0.000 . . . . . A 40 ASN CG . 19155 1 489 . 1 1 43 43 ASN N N 15 117.904 0.000 . . . . . A 40 ASN N . 19155 1 490 . 1 1 43 43 ASN ND2 N 15 113.217 0.000 . . . . . A 40 ASN ND2 . 19155 1 491 . 1 1 44 44 GLU H H 1 7.895 0.000 . . . . . A 41 GLU H . 19155 1 492 . 1 1 44 44 GLU HA H 1 4.330 0.000 . . . . . A 41 GLU HA . 19155 1 493 . 1 1 44 44 GLU HB2 H 1 2.223 0.000 . . . . . A 41 GLU HB2 . 19155 1 494 . 1 1 44 44 GLU HB3 H 1 2.223 0.000 . . . . . A 41 GLU HB3 . 19155 1 495 . 1 1 44 44 GLU HG2 H 1 2.420 0.000 . . . . . A 41 GLU HG2 . 19155 1 496 . 1 1 44 44 GLU HG3 H 1 2.420 0.000 . . . . . A 41 GLU HG3 . 19155 1 497 . 1 1 44 44 GLU C C 13 179.186 0.000 . . . . . A 41 GLU C . 19155 1 498 . 1 1 44 44 GLU CA C 13 59.444 0.000 . . . . . A 41 GLU CA . 19155 1 499 . 1 1 44 44 GLU CB C 13 28.935 0.000 . . . . . A 41 GLU CB . 19155 1 500 . 1 1 44 44 GLU CG C 13 35.348 0.000 . . . . . A 41 GLU CG . 19155 1 501 . 1 1 44 44 GLU N N 15 122.117 0.000 . . . . . A 41 GLU N . 19155 1 502 . 1 1 45 45 LEU H H 1 8.915 0.000 . . . . . A 42 LEU H . 19155 1 503 . 1 1 45 45 LEU HA H 1 4.036 0.000 . . . . . A 42 LEU HA . 19155 1 504 . 1 1 45 45 LEU HB2 H 1 2.012 0.000 . . . . . A 42 LEU HB2 . 19155 1 505 . 1 1 45 45 LEU HB3 H 1 1.251 0.000 . . . . . A 42 LEU HB3 . 19155 1 506 . 1 1 45 45 LEU HG H 1 2.031 0.000 . . . . . A 42 LEU HG . 19155 1 507 . 1 1 45 45 LEU HD11 H 1 0.975 0.000 . . . . . A 42 LEU HD11 . 19155 1 508 . 1 1 45 45 LEU HD12 H 1 0.975 0.000 . . . . . A 42 LEU HD12 . 19155 1 509 . 1 1 45 45 LEU HD13 H 1 0.975 0.000 . . . . . A 42 LEU HD13 . 19155 1 510 . 1 1 45 45 LEU HD21 H 1 0.731 0.000 . . . . . A 42 LEU HD21 . 19155 1 511 . 1 1 45 45 LEU HD22 H 1 0.731 0.000 . . . . . A 42 LEU HD22 . 19155 1 512 . 1 1 45 45 LEU HD23 H 1 0.731 0.000 . . . . . A 42 LEU HD23 . 19155 1 513 . 1 1 45 45 LEU C C 13 179.072 0.000 . . . . . A 42 LEU C . 19155 1 514 . 1 1 45 45 LEU CA C 13 58.028 0.000 . . . . . A 42 LEU CA . 19155 1 515 . 1 1 45 45 LEU CB C 13 41.053 0.000 . . . . . A 42 LEU CB . 19155 1 516 . 1 1 45 45 LEU CG C 13 26.431 0.000 . . . . . A 42 LEU CG . 19155 1 517 . 1 1 45 45 LEU CD1 C 13 24.932 0.000 . . . . . A 42 LEU CD1 . 19155 1 518 . 1 1 45 45 LEU CD2 C 13 26.389 0.000 . . . . . A 42 LEU CD2 . 19155 1 519 . 1 1 45 45 LEU N N 15 118.997 0.000 . . . . . A 42 LEU N . 19155 1 520 . 1 1 46 46 ASN H H 1 8.436 0.000 . . . . . A 43 ASN H . 19155 1 521 . 1 1 46 46 ASN HA H 1 4.560 0.000 . . . . . A 43 ASN HA . 19155 1 522 . 1 1 46 46 ASN HB2 H 1 2.779 0.000 . . . . . A 43 ASN HB2 . 19155 1 523 . 1 1 46 46 ASN HB3 H 1 2.908 0.000 . . . . . A 43 ASN HB3 . 19155 1 524 . 1 1 46 46 ASN HD21 H 1 6.891 0.000 . . . . . A 43 ASN HD21 . 19155 1 525 . 1 1 46 46 ASN HD22 H 1 7.555 0.000 . . . . . A 43 ASN HD22 . 19155 1 526 . 1 1 46 46 ASN C C 13 177.692 0.000 . . . . . A 43 ASN C . 19155 1 527 . 1 1 46 46 ASN CA C 13 56.224 0.000 . . . . . A 43 ASN CA . 19155 1 528 . 1 1 46 46 ASN CB C 13 38.241 0.000 . . . . . A 43 ASN CB . 19155 1 529 . 1 1 46 46 ASN CG C 13 175.729 0.000 . . . . . A 43 ASN CG . 19155 1 530 . 1 1 46 46 ASN N N 15 117.439 0.000 . . . . . A 43 ASN N . 19155 1 531 . 1 1 46 46 ASN ND2 N 15 112.595 0.000 . . . . . A 43 ASN ND2 . 19155 1 532 . 1 1 47 47 ASN H H 1 8.079 0.000 . . . . . A 44 ASN H . 19155 1 533 . 1 1 47 47 ASN HA H 1 4.647 0.000 . . . . . A 44 ASN HA . 19155 1 534 . 1 1 47 47 ASN HB2 H 1 3.001 0.000 . . . . . A 44 ASN HB2 . 19155 1 535 . 1 1 47 47 ASN HB3 H 1 3.224 0.000 . . . . . A 44 ASN HB3 . 19155 1 536 . 1 1 47 47 ASN HD21 H 1 7.722 0.000 . . . . . A 44 ASN HD21 . 19155 1 537 . 1 1 47 47 ASN HD22 H 1 6.886 0.000 . . . . . A 44 ASN HD22 . 19155 1 538 . 1 1 47 47 ASN C C 13 178.704 0.000 . . . . . A 44 ASN C . 19155 1 539 . 1 1 47 47 ASN CA C 13 56.233 0.000 . . . . . A 44 ASN CA . 19155 1 540 . 1 1 47 47 ASN CB C 13 37.466 0.000 . . . . . A 44 ASN CB . 19155 1 541 . 1 1 47 47 ASN CG C 13 176.238 0.000 . . . . . A 44 ASN CG . 19155 1 542 . 1 1 47 47 ASN N N 15 121.188 0.000 . . . . . A 44 ASN N . 19155 1 543 . 1 1 47 47 ASN ND2 N 15 112.439 0.000 . . . . . A 44 ASN ND2 . 19155 1 544 . 1 1 48 48 ILE H H 1 8.533 0.000 . . . . . A 45 ILE H . 19155 1 545 . 1 1 48 48 ILE HA H 1 3.985 0.000 . . . . . A 45 ILE HA . 19155 1 546 . 1 1 48 48 ILE HB H 1 2.006 0.000 . . . . . A 45 ILE HB . 19155 1 547 . 1 1 48 48 ILE HG12 H 1 1.114 0.000 . . . . . A 45 ILE HG12 . 19155 1 548 . 1 1 48 48 ILE HG13 H 1 2.095 0.000 . . . . . A 45 ILE HG13 . 19155 1 549 . 1 1 48 48 ILE HG21 H 1 1.033 0.000 . . . . . A 45 ILE HG21 . 19155 1 550 . 1 1 48 48 ILE HG22 H 1 1.033 0.000 . . . . . A 45 ILE HG22 . 19155 1 551 . 1 1 48 48 ILE HG23 H 1 1.033 0.000 . . . . . A 45 ILE HG23 . 19155 1 552 . 1 1 48 48 ILE HD11 H 1 0.909 0.000 . . . . . A 45 ILE HD11 . 19155 1 553 . 1 1 48 48 ILE HD12 H 1 0.909 0.000 . . . . . A 45 ILE HD12 . 19155 1 554 . 1 1 48 48 ILE HD13 H 1 0.909 0.000 . . . . . A 45 ILE HD13 . 19155 1 555 . 1 1 48 48 ILE C C 13 177.925 0.000 . . . . . A 45 ILE C . 19155 1 556 . 1 1 48 48 ILE CA C 13 65.578 0.000 . . . . . A 45 ILE CA . 19155 1 557 . 1 1 48 48 ILE CB C 13 38.903 0.000 . . . . . A 45 ILE CB . 19155 1 558 . 1 1 48 48 ILE CG1 C 13 29.208 0.000 . . . . . A 45 ILE CG1 . 19155 1 559 . 1 1 48 48 ILE CG2 C 13 18.094 0.000 . . . . . A 45 ILE CG2 . 19155 1 560 . 1 1 48 48 ILE CD1 C 13 15.229 0.000 . . . . . A 45 ILE CD1 . 19155 1 561 . 1 1 48 48 ILE N N 15 124.315 0.000 . . . . . A 45 ILE N . 19155 1 562 . 1 1 49 49 LYS H H 1 8.660 0.000 . . . . . A 46 LYS H . 19155 1 563 . 1 1 49 49 LYS HA H 1 3.743 0.000 . . . . . A 46 LYS HA . 19155 1 564 . 1 1 49 49 LYS HB2 H 1 2.052 0.000 . . . . . A 46 LYS HB2 . 19155 1 565 . 1 1 49 49 LYS HB3 H 1 2.336 0.000 . . . . . A 46 LYS HB3 . 19155 1 566 . 1 1 49 49 LYS HG2 H 1 1.390 0.000 . . . . . A 46 LYS HG2 . 19155 1 567 . 1 1 49 49 LYS HG3 H 1 1.540 0.000 . . . . . A 46 LYS HG3 . 19155 1 568 . 1 1 49 49 LYS HD2 H 1 1.740 0.000 . . . . . A 46 LYS HD2 . 19155 1 569 . 1 1 49 49 LYS HD3 H 1 1.925 0.000 . . . . . A 46 LYS HD3 . 19155 1 570 . 1 1 49 49 LYS HE2 H 1 2.978 0.000 . . . . . A 46 LYS HE2 . 19155 1 571 . 1 1 49 49 LYS HE3 H 1 3.152 0.000 . . . . . A 46 LYS HE3 . 19155 1 572 . 1 1 49 49 LYS C C 13 177.699 0.000 . . . . . A 46 LYS C . 19155 1 573 . 1 1 49 49 LYS CA C 13 60.161 0.000 . . . . . A 46 LYS CA . 19155 1 574 . 1 1 49 49 LYS CB C 13 31.420 0.000 . . . . . A 46 LYS CB . 19155 1 575 . 1 1 49 49 LYS CG C 13 24.225 0.000 . . . . . A 46 LYS CG . 19155 1 576 . 1 1 49 49 LYS CD C 13 29.254 0.000 . . . . . A 46 LYS CD . 19155 1 577 . 1 1 49 49 LYS CE C 13 41.129 0.000 . . . . . A 46 LYS CE . 19155 1 578 . 1 1 49 49 LYS N N 15 119.624 0.000 . . . . . A 46 LYS N . 19155 1 579 . 1 1 50 50 ASN H H 1 8.344 0.000 . . . . . A 47 ASN H . 19155 1 580 . 1 1 50 50 ASN HA H 1 4.468 0.000 . . . . . A 47 ASN HA . 19155 1 581 . 1 1 50 50 ASN HB2 H 1 2.877 0.000 . . . . . A 47 ASN HB2 . 19155 1 582 . 1 1 50 50 ASN HB3 H 1 2.955 0.000 . . . . . A 47 ASN HB3 . 19155 1 583 . 1 1 50 50 ASN HD21 H 1 7.751 0.000 . . . . . A 47 ASN HD21 . 19155 1 584 . 1 1 50 50 ASN HD22 H 1 6.979 0.000 . . . . . A 47 ASN HD22 . 19155 1 585 . 1 1 50 50 ASN C C 13 177.768 0.000 . . . . . A 47 ASN C . 19155 1 586 . 1 1 50 50 ASN CA C 13 56.538 0.000 . . . . . A 47 ASN CA . 19155 1 587 . 1 1 50 50 ASN CB C 13 37.882 0.000 . . . . . A 47 ASN CB . 19155 1 588 . 1 1 50 50 ASN CG C 13 176.102 0.000 . . . . . A 47 ASN CG . 19155 1 589 . 1 1 50 50 ASN N N 15 116.034 0.000 . . . . . A 47 ASN N . 19155 1 590 . 1 1 50 50 ASN ND2 N 15 113.217 0.000 . . . . . A 47 ASN ND2 . 19155 1 591 . 1 1 51 51 GLU H H 1 8.301 0.000 . . . . . A 48 GLU H . 19155 1 592 . 1 1 51 51 GLU HA H 1 4.044 0.000 . . . . . A 48 GLU HA . 19155 1 593 . 1 1 51 51 GLU HB2 H 1 2.189 0.000 . . . . . A 48 GLU HB2 . 19155 1 594 . 1 1 51 51 GLU HB3 H 1 2.319 0.000 . . . . . A 48 GLU HB3 . 19155 1 595 . 1 1 51 51 GLU HG2 H 1 1.558 0.000 . . . . . A 48 GLU HG2 . 19155 1 596 . 1 1 51 51 GLU HG3 H 1 2.145 0.000 . . . . . A 48 GLU HG3 . 19155 1 597 . 1 1 51 51 GLU C C 13 179.915 0.000 . . . . . A 48 GLU C . 19155 1 598 . 1 1 51 51 GLU CA C 13 59.444 0.000 . . . . . A 48 GLU CA . 19155 1 599 . 1 1 51 51 GLU CB C 13 29.230 0.000 . . . . . A 48 GLU CB . 19155 1 600 . 1 1 51 51 GLU CG C 13 35.721 0.000 . . . . . A 48 GLU CG . 19155 1 601 . 1 1 51 51 GLU N N 15 121.665 0.000 . . . . . A 48 GLU N . 19155 1 602 . 1 1 52 52 TYR H H 1 8.581 0.000 . . . . . A 49 TYR H . 19155 1 603 . 1 1 52 52 TYR HA H 1 3.992 0.000 . . . . . A 49 TYR HA . 19155 1 604 . 1 1 52 52 TYR HB2 H 1 2.840 0.000 . . . . . A 49 TYR HB2 . 19155 1 605 . 1 1 52 52 TYR HB3 H 1 3.030 0.000 . . . . . A 49 TYR HB3 . 19155 1 606 . 1 1 52 52 TYR HD1 H 1 7.414 0.000 . . . . . A 49 TYR HD1 . 19155 1 607 . 1 1 52 52 TYR HD2 H 1 7.414 0.000 . . . . . A 49 TYR HD2 . 19155 1 608 . 1 1 52 52 TYR HE1 H 1 6.850 0.000 . . . . . A 49 TYR HE1 . 19155 1 609 . 1 1 52 52 TYR HE2 H 1 6.850 0.000 . . . . . A 49 TYR HE2 . 19155 1 610 . 1 1 52 52 TYR C C 13 178.275 0.000 . . . . . A 49 TYR C . 19155 1 611 . 1 1 52 52 TYR CA C 13 64.508 0.000 . . . . . A 49 TYR CA . 19155 1 612 . 1 1 52 52 TYR CB C 13 37.881 0.000 . . . . . A 49 TYR CB . 19155 1 613 . 1 1 52 52 TYR N N 15 117.600 0.000 . . . . . A 49 TYR N . 19155 1 614 . 1 1 53 53 LEU H H 1 9.207 0.000 . . . . . A 50 LEU H . 19155 1 615 . 1 1 53 53 LEU HA H 1 4.181 0.000 . . . . . A 50 LEU HA . 19155 1 616 . 1 1 53 53 LEU HB2 H 1 2.059 0.000 . . . . . A 50 LEU HB2 . 19155 1 617 . 1 1 53 53 LEU HB3 H 1 1.618 0.000 . . . . . A 50 LEU HB3 . 19155 1 618 . 1 1 53 53 LEU HG H 1 2.135 0.000 . . . . . A 50 LEU HG . 19155 1 619 . 1 1 53 53 LEU HD11 H 1 1.019 0.000 . . . . . A 50 LEU HD11 . 19155 1 620 . 1 1 53 53 LEU HD12 H 1 1.019 0.000 . . . . . A 50 LEU HD12 . 19155 1 621 . 1 1 53 53 LEU HD13 H 1 1.019 0.000 . . . . . A 50 LEU HD13 . 19155 1 622 . 1 1 53 53 LEU HD21 H 1 1.019 0.000 . . . . . A 50 LEU HD21 . 19155 1 623 . 1 1 53 53 LEU HD22 H 1 1.019 0.000 . . . . . A 50 LEU HD22 . 19155 1 624 . 1 1 53 53 LEU HD23 H 1 1.019 0.000 . . . . . A 50 LEU HD23 . 19155 1 625 . 1 1 53 53 LEU C C 13 180.089 0.000 . . . . . A 50 LEU C . 19155 1 626 . 1 1 53 53 LEU CA C 13 59.061 0.000 . . . . . A 50 LEU CA . 19155 1 627 . 1 1 53 53 LEU CB C 13 40.096 0.000 . . . . . A 50 LEU CB . 19155 1 628 . 1 1 53 53 LEU CG C 13 27.448 0.000 . . . . . A 50 LEU CG . 19155 1 629 . 1 1 53 53 LEU CD1 C 13 23.903 0.000 . . . . . A 50 LEU CD1 . 19155 1 630 . 1 1 53 53 LEU N N 15 122.126 0.000 . . . . . A 50 LEU N . 19155 1 631 . 1 1 54 54 ASN H H 1 7.634 0.000 . . . . . A 51 ASN H . 19155 1 632 . 1 1 54 54 ASN HA H 1 4.535 0.000 . . . . . A 51 ASN HA . 19155 1 633 . 1 1 54 54 ASN HB2 H 1 2.822 0.000 . . . . . A 51 ASN HB2 . 19155 1 634 . 1 1 54 54 ASN HB3 H 1 2.917 0.000 . . . . . A 51 ASN HB3 . 19155 1 635 . 1 1 54 54 ASN HD21 H 1 7.573 0.000 . . . . . A 51 ASN HD21 . 19155 1 636 . 1 1 54 54 ASN HD22 H 1 6.870 0.000 . . . . . A 51 ASN HD22 . 19155 1 637 . 1 1 54 54 ASN C C 13 177.522 0.000 . . . . . A 51 ASN C . 19155 1 638 . 1 1 54 54 ASN CA C 13 56.240 0.000 . . . . . A 51 ASN CA . 19155 1 639 . 1 1 54 54 ASN CB C 13 37.898 0.000 . . . . . A 51 ASN CB . 19155 1 640 . 1 1 54 54 ASN CG C 13 176.148 0.000 . . . . . A 51 ASN CG . 19155 1 641 . 1 1 54 54 ASN N N 15 117.124 0.000 . . . . . A 51 ASN N . 19155 1 642 . 1 1 54 54 ASN ND2 N 15 113.218 0.000 . . . . . A 51 ASN ND2 . 19155 1 643 . 1 1 55 55 LYS H H 1 7.663 0.000 . . . . . A 52 LYS H . 19155 1 644 . 1 1 55 55 LYS HA H 1 4.037 0.000 . . . . . A 52 LYS HA . 19155 1 645 . 1 1 55 55 LYS HB2 H 1 1.788 0.000 . . . . . A 52 LYS HB2 . 19155 1 646 . 1 1 55 55 LYS HB3 H 1 1.960 0.000 . . . . . A 52 LYS HB3 . 19155 1 647 . 1 1 55 55 LYS HG2 H 1 1.380 0.000 . . . . . A 52 LYS HG2 . 19155 1 648 . 1 1 55 55 LYS HG3 H 1 1.537 0.000 . . . . . A 52 LYS HG3 . 19155 1 649 . 1 1 55 55 LYS HD2 H 1 0.815 0.000 . . . . . A 52 LYS HD2 . 19155 1 650 . 1 1 55 55 LYS HD3 H 1 1.444 0.000 . . . . . A 52 LYS HD3 . 19155 1 651 . 1 1 55 55 LYS HE2 H 1 2.661 0.000 . . . . . A 52 LYS HE2 . 19155 1 652 . 1 1 55 55 LYS HE3 H 1 2.661 0.000 . . . . . A 52 LYS HE3 . 19155 1 653 . 1 1 55 55 LYS C C 13 179.905 0.000 . . . . . A 52 LYS C . 19155 1 654 . 1 1 55 55 LYS CA C 13 59.803 0.000 . . . . . A 52 LYS CA . 19155 1 655 . 1 1 55 55 LYS CB C 13 33.215 0.000 . . . . . A 52 LYS CB . 19155 1 656 . 1 1 55 55 LYS CG C 13 26.398 0.000 . . . . . A 52 LYS CG . 19155 1 657 . 1 1 55 55 LYS CD C 13 29.303 0.000 . . . . . A 52 LYS CD . 19155 1 658 . 1 1 55 55 LYS CE C 13 41.551 0.000 . . . . . A 52 LYS CE . 19155 1 659 . 1 1 55 55 LYS N N 15 119.154 0.000 . . . . . A 52 LYS N . 19155 1 660 . 1 1 56 56 ILE H H 1 8.493 0.000 . . . . . A 53 ILE H . 19155 1 661 . 1 1 56 56 ILE HA H 1 3.532 0.000 . . . . . A 53 ILE HA . 19155 1 662 . 1 1 56 56 ILE HB H 1 2.161 0.000 . . . . . A 53 ILE HB . 19155 1 663 . 1 1 56 56 ILE HG12 H 1 0.965 0.000 . . . . . A 53 ILE HG12 . 19155 1 664 . 1 1 56 56 ILE HG13 H 1 2.070 0.000 . . . . . A 53 ILE HG13 . 19155 1 665 . 1 1 56 56 ILE HG21 H 1 1.026 0.000 . . . . . A 53 ILE HG21 . 19155 1 666 . 1 1 56 56 ILE HG22 H 1 1.026 0.000 . . . . . A 53 ILE HG22 . 19155 1 667 . 1 1 56 56 ILE HG23 H 1 1.026 0.000 . . . . . A 53 ILE HG23 . 19155 1 668 . 1 1 56 56 ILE HD11 H 1 0.873 0.000 . . . . . A 53 ILE HD11 . 19155 1 669 . 1 1 56 56 ILE HD12 H 1 0.873 0.000 . . . . . A 53 ILE HD12 . 19155 1 670 . 1 1 56 56 ILE HD13 H 1 0.873 0.000 . . . . . A 53 ILE HD13 . 19155 1 671 . 1 1 56 56 ILE C C 13 178.489 0.000 . . . . . A 53 ILE C . 19155 1 672 . 1 1 56 56 ILE CA C 13 65.906 0.000 . . . . . A 53 ILE CA . 19155 1 673 . 1 1 56 56 ILE CB C 13 38.249 0.000 . . . . . A 53 ILE CB . 19155 1 674 . 1 1 56 56 ILE CG1 C 13 31.025 0.000 . . . . . A 53 ILE CG1 . 19155 1 675 . 1 1 56 56 ILE CG2 C 13 17.760 0.000 . . . . . A 53 ILE CG2 . 19155 1 676 . 1 1 56 56 ILE CD1 C 13 14.553 0.000 . . . . . A 53 ILE CD1 . 19155 1 677 . 1 1 56 56 ILE N N 15 121.662 0.000 . . . . . A 53 ILE N . 19155 1 678 . 1 1 57 57 VAL H H 1 7.598 0.000 . . . . . A 54 VAL H . 19155 1 679 . 1 1 57 57 VAL HA H 1 3.647 0.000 . . . . . A 54 VAL HA . 19155 1 680 . 1 1 57 57 VAL HB H 1 2.379 0.000 . . . . . A 54 VAL HB . 19155 1 681 . 1 1 57 57 VAL HG11 H 1 1.190 0.000 . . . . . A 54 VAL HG11 . 19155 1 682 . 1 1 57 57 VAL HG12 H 1 1.190 0.000 . . . . . A 54 VAL HG12 . 19155 1 683 . 1 1 57 57 VAL HG13 H 1 1.190 0.000 . . . . . A 54 VAL HG13 . 19155 1 684 . 1 1 57 57 VAL HG21 H 1 1.022 0.000 . . . . . A 54 VAL HG21 . 19155 1 685 . 1 1 57 57 VAL HG22 H 1 1.022 0.000 . . . . . A 54 VAL HG22 . 19155 1 686 . 1 1 57 57 VAL HG23 H 1 1.022 0.000 . . . . . A 54 VAL HG23 . 19155 1 687 . 1 1 57 57 VAL C C 13 176.683 0.000 . . . . . A 54 VAL C . 19155 1 688 . 1 1 57 57 VAL CA C 13 66.643 0.000 . . . . . A 54 VAL CA . 19155 1 689 . 1 1 57 57 VAL CB C 13 31.448 0.000 . . . . . A 54 VAL CB . 19155 1 690 . 1 1 57 57 VAL CG1 C 13 22.634 0.000 . . . . . A 54 VAL CG1 . 19155 1 691 . 1 1 57 57 VAL CG2 C 13 21.291 0.000 . . . . . A 54 VAL CG2 . 19155 1 692 . 1 1 57 57 VAL N N 15 119.477 0.000 . . . . . A 54 VAL N . 19155 1 693 . 1 1 58 58 GLU H H 1 7.064 0.000 . . . . . A 55 GLU H . 19155 1 694 . 1 1 58 58 GLU HA H 1 4.281 0.000 . . . . . A 55 GLU HA . 19155 1 695 . 1 1 58 58 GLU HB2 H 1 1.914 0.000 . . . . . A 55 GLU HB2 . 19155 1 696 . 1 1 58 58 GLU HB3 H 1 2.230 0.000 . . . . . A 55 GLU HB3 . 19155 1 697 . 1 1 58 58 GLU HG2 H 1 2.269 0.000 . . . . . A 55 GLU HG2 . 19155 1 698 . 1 1 58 58 GLU HG3 H 1 2.269 0.000 . . . . . A 55 GLU HG3 . 19155 1 699 . 1 1 58 58 GLU C C 13 176.914 0.000 . . . . . A 55 GLU C . 19155 1 700 . 1 1 58 58 GLU CA C 13 56.195 0.000 . . . . . A 55 GLU CA . 19155 1 701 . 1 1 58 58 GLU CB C 13 30.354 0.000 . . . . . A 55 GLU CB . 19155 1 702 . 1 1 58 58 GLU N N 15 114.467 0.000 . . . . . A 55 GLU N . 19155 1 703 . 1 1 59 59 SER H H 1 7.504 0.000 . . . . . A 56 SER H . 19155 1 704 . 1 1 59 59 SER HA H 1 4.435 0.000 . . . . . A 56 SER HA . 19155 1 705 . 1 1 59 59 SER HB2 H 1 3.898 0.000 . . . . . A 56 SER HB2 . 19155 1 706 . 1 1 59 59 SER HB3 H 1 4.000 0.000 . . . . . A 56 SER HB3 . 19155 1 707 . 1 1 59 59 SER C C 13 175.566 0.000 . . . . . A 56 SER C . 19155 1 708 . 1 1 59 59 SER CA C 13 60.163 0.000 . . . . . A 56 SER CA . 19155 1 709 . 1 1 59 59 SER CB C 13 64.439 0.000 . . . . . A 56 SER CB . 19155 1 710 . 1 1 59 59 SER N N 15 116.806 0.000 . . . . . A 56 SER N . 19155 1 711 . 1 1 60 60 THR H H 1 9.083 0.000 . . . . . A 57 THR H . 19155 1 712 . 1 1 60 60 THR HA H 1 4.539 0.000 . . . . . A 57 THR HA . 19155 1 713 . 1 1 60 60 THR HB H 1 4.595 0.000 . . . . . A 57 THR HB . 19155 1 714 . 1 1 60 60 THR HG21 H 1 1.280 0.000 . . . . . A 57 THR HG21 . 19155 1 715 . 1 1 60 60 THR HG22 H 1 1.280 0.000 . . . . . A 57 THR HG22 . 19155 1 716 . 1 1 60 60 THR HG23 H 1 1.280 0.000 . . . . . A 57 THR HG23 . 19155 1 717 . 1 1 60 60 THR C C 13 174.424 0.000 . . . . . A 57 THR C . 19155 1 718 . 1 1 60 60 THR CA C 13 61.518 0.000 . . . . . A 57 THR CA . 19155 1 719 . 1 1 60 60 THR CB C 13 70.377 0.000 . . . . . A 57 THR CB . 19155 1 720 . 1 1 60 60 THR CG2 C 13 21.764 0.000 . . . . . A 57 THR CG2 . 19155 1 721 . 1 1 60 60 THR N N 15 111.347 0.000 . . . . . A 57 THR N . 19155 1 722 . 1 1 61 61 SER H H 1 7.689 0.000 . . . . . A 58 SER H . 19155 1 723 . 1 1 61 61 SER HA H 1 5.059 0.000 . . . . . A 58 SER HA . 19155 1 724 . 1 1 61 61 SER HB2 H 1 3.932 0.000 . . . . . A 58 SER HB2 . 19155 1 725 . 1 1 61 61 SER HB3 H 1 4.264 0.000 . . . . . A 58 SER HB3 . 19155 1 726 . 1 1 61 61 SER C C 13 174.278 0.000 . . . . . A 58 SER C . 19155 1 727 . 1 1 61 61 SER CA C 13 56.928 0.000 . . . . . A 58 SER CA . 19155 1 728 . 1 1 61 61 SER CB C 13 66.570 0.000 . . . . . A 58 SER CB . 19155 1 729 . 1 1 61 61 SER N N 15 115.415 0.000 . . . . . A 58 SER N . 19155 1 730 . 1 1 62 62 GLU H H 1 9.719 0.000 . . . . . A 59 GLU H . 19155 1 731 . 1 1 62 62 GLU HA H 1 3.990 0.000 . . . . . A 59 GLU HA . 19155 1 732 . 1 1 62 62 GLU HB2 H 1 2.137 0.000 . . . . . A 59 GLU HB2 . 19155 1 733 . 1 1 62 62 GLU HB3 H 1 2.210 0.000 . . . . . A 59 GLU HB3 . 19155 1 734 . 1 1 62 62 GLU HG2 H 1 2.401 0.000 . . . . . A 59 GLU HG2 . 19155 1 735 . 1 1 62 62 GLU HG3 H 1 2.401 0.000 . . . . . A 59 GLU HG3 . 19155 1 736 . 1 1 62 62 GLU C C 13 179.113 0.000 . . . . . A 59 GLU C . 19155 1 737 . 1 1 62 62 GLU CA C 13 60.159 0.000 . . . . . A 59 GLU CA . 19155 1 738 . 1 1 62 62 GLU CB C 13 29.616 0.000 . . . . . A 59 GLU CB . 19155 1 739 . 1 1 62 62 GLU CG C 13 37.500 0.000 . . . . . A 59 GLU CG . 19155 1 740 . 1 1 62 62 GLU N N 15 124.305 0.000 . . . . . A 59 GLU N . 19155 1 741 . 1 1 63 63 SER H H 1 8.614 0.000 . . . . . A 60 SER H . 19155 1 742 . 1 1 63 63 SER HA H 1 4.249 0.000 . . . . . A 60 SER HA . 19155 1 743 . 1 1 63 63 SER HB2 H 1 3.937 0.000 . . . . . A 60 SER HB2 . 19155 1 744 . 1 1 63 63 SER HB3 H 1 3.937 0.000 . . . . . A 60 SER HB3 . 19155 1 745 . 1 1 63 63 SER C C 13 177.307 0.000 . . . . . A 60 SER C . 19155 1 746 . 1 1 63 63 SER CA C 13 61.259 0.000 . . . . . A 60 SER CA . 19155 1 747 . 1 1 63 63 SER CB C 13 61.960 0.000 . . . . . A 60 SER CB . 19155 1 748 . 1 1 63 63 SER N N 15 115.406 0.000 . . . . . A 60 SER N . 19155 1 749 . 1 1 64 64 GLN H H 1 7.669 0.000 . . . . . A 61 GLN H . 19155 1 750 . 1 1 64 64 GLN HA H 1 4.107 0.000 . . . . . A 61 GLN HA . 19155 1 751 . 1 1 64 64 GLN HB2 H 1 2.259 0.000 . . . . . A 61 GLN HB2 . 19155 1 752 . 1 1 64 64 GLN HB3 H 1 2.259 0.000 . . . . . A 61 GLN HB3 . 19155 1 753 . 1 1 64 64 GLN HG2 H 1 2.413 0.000 . . . . . A 61 GLN HG2 . 19155 1 754 . 1 1 64 64 GLN HG3 H 1 2.525 0.000 . . . . . A 61 GLN HG3 . 19155 1 755 . 1 1 64 64 GLN HE21 H 1 7.478 0.000 . . . . . A 61 GLN HE21 . 19155 1 756 . 1 1 64 64 GLN HE22 H 1 7.020 0.000 . . . . . A 61 GLN HE22 . 19155 1 757 . 1 1 64 64 GLN C C 13 178.777 0.000 . . . . . A 61 GLN C . 19155 1 758 . 1 1 64 64 GLN CA C 13 58.743 0.000 . . . . . A 61 GLN CA . 19155 1 759 . 1 1 64 64 GLN CB C 13 28.900 0.000 . . . . . A 61 GLN CB . 19155 1 760 . 1 1 64 64 GLN CG C 13 33.584 0.000 . . . . . A 61 GLN CG . 19155 1 761 . 1 1 64 64 GLN CD C 13 179.581 0.000 . . . . . A 61 GLN CD . 19155 1 762 . 1 1 64 64 GLN N N 15 121.656 0.000 . . . . . A 61 GLN N . 19155 1 763 . 1 1 64 64 GLN NE2 N 15 111.500 0.000 . . . . . A 61 GLN NE2 . 19155 1 764 . 1 1 65 65 LEU H H 1 7.736 0.000 . . . . . A 62 LEU H . 19155 1 765 . 1 1 65 65 LEU HA H 1 4.035 0.000 . . . . . A 62 LEU HA . 19155 1 766 . 1 1 65 65 LEU HB2 H 1 2.227 0.000 . . . . . A 62 LEU HB2 . 19155 1 767 . 1 1 65 65 LEU HB3 H 1 1.465 0.000 . . . . . A 62 LEU HB3 . 19155 1 768 . 1 1 65 65 LEU HG H 1 1.966 0.000 . . . . . A 62 LEU HG . 19155 1 769 . 1 1 65 65 LEU HD11 H 1 1.030 0.000 . . . . . A 62 LEU HD11 . 19155 1 770 . 1 1 65 65 LEU HD12 H 1 1.030 0.000 . . . . . A 62 LEU HD12 . 19155 1 771 . 1 1 65 65 LEU HD13 H 1 1.030 0.000 . . . . . A 62 LEU HD13 . 19155 1 772 . 1 1 65 65 LEU HD21 H 1 0.893 0.000 . . . . . A 62 LEU HD21 . 19155 1 773 . 1 1 65 65 LEU HD22 H 1 0.893 0.000 . . . . . A 62 LEU HD22 . 19155 1 774 . 1 1 65 65 LEU HD23 H 1 0.893 0.000 . . . . . A 62 LEU HD23 . 19155 1 775 . 1 1 65 65 LEU C C 13 178.363 0.000 . . . . . A 62 LEU C . 19155 1 776 . 1 1 65 65 LEU CA C 13 58.725 0.000 . . . . . A 62 LEU CA . 19155 1 777 . 1 1 65 65 LEU CB C 13 41.836 0.000 . . . . . A 62 LEU CB . 19155 1 778 . 1 1 65 65 LEU CG C 13 26.404 0.000 . . . . . A 62 LEU CG . 19155 1 779 . 1 1 65 65 LEU CD1 C 13 25.664 0.000 . . . . . A 62 LEU CD1 . 19155 1 780 . 1 1 65 65 LEU CD2 C 13 26.740 0.000 . . . . . A 62 LEU CD2 . 19155 1 781 . 1 1 65 65 LEU N N 15 118.689 0.000 . . . . . A 62 LEU N . 19155 1 782 . 1 1 66 66 GLN H H 1 7.943 0.000 . . . . . A 63 GLN H . 19155 1 783 . 1 1 66 66 GLN HA H 1 4.078 0.000 . . . . . A 63 GLN HA . 19155 1 784 . 1 1 66 66 GLN HB2 H 1 2.238 0.000 . . . . . A 63 GLN HB2 . 19155 1 785 . 1 1 66 66 GLN HB3 H 1 2.238 0.000 . . . . . A 63 GLN HB3 . 19155 1 786 . 1 1 66 66 GLN HG2 H 1 2.529 0.000 . . . . . A 63 GLN HG2 . 19155 1 787 . 1 1 66 66 GLN HG3 H 1 2.529 0.000 . . . . . A 63 GLN HG3 . 19155 1 788 . 1 1 66 66 GLN HE21 H 1 7.613 0.000 . . . . . A 63 GLN HE21 . 19155 1 789 . 1 1 66 66 GLN HE22 H 1 6.907 0.000 . . . . . A 63 GLN HE22 . 19155 1 790 . 1 1 66 66 GLN C C 13 179.312 0.000 . . . . . A 63 GLN C . 19155 1 791 . 1 1 66 66 GLN CA C 13 59.062 0.000 . . . . . A 63 GLN CA . 19155 1 792 . 1 1 66 66 GLN CB C 13 27.819 0.000 . . . . . A 63 GLN CB . 19155 1 793 . 1 1 66 66 GLN CG C 13 33.589 0.000 . . . . . A 63 GLN CG . 19155 1 794 . 1 1 66 66 GLN CD C 13 179.813 0.000 . . . . . A 63 GLN CD . 19155 1 795 . 1 1 66 66 GLN N N 15 117.441 0.000 . . . . . A 63 GLN N . 19155 1 796 . 1 1 66 66 GLN NE2 N 15 112.735 0.000 . . . . . A 63 GLN NE2 . 19155 1 797 . 1 1 67 67 ILE H H 1 7.544 0.000 . . . . . A 64 ILE H . 19155 1 798 . 1 1 67 67 ILE HA H 1 3.809 0.000 . . . . . A 64 ILE HA . 19155 1 799 . 1 1 67 67 ILE HB H 1 2.071 0.000 . . . . . A 64 ILE HB . 19155 1 800 . 1 1 67 67 ILE HG12 H 1 1.274 0.000 . . . . . A 64 ILE HG12 . 19155 1 801 . 1 1 67 67 ILE HG13 H 1 1.761 0.000 . . . . . A 64 ILE HG13 . 19155 1 802 . 1 1 67 67 ILE HG21 H 1 0.994 0.000 . . . . . A 64 ILE HG21 . 19155 1 803 . 1 1 67 67 ILE HG22 H 1 0.994 0.000 . . . . . A 64 ILE HG22 . 19155 1 804 . 1 1 67 67 ILE HG23 H 1 0.994 0.000 . . . . . A 64 ILE HG23 . 19155 1 805 . 1 1 67 67 ILE HD11 H 1 0.893 0.000 . . . . . A 64 ILE HD11 . 19155 1 806 . 1 1 67 67 ILE HD12 H 1 0.893 0.000 . . . . . A 64 ILE HD12 . 19155 1 807 . 1 1 67 67 ILE HD13 H 1 0.893 0.000 . . . . . A 64 ILE HD13 . 19155 1 808 . 1 1 67 67 ILE C C 13 178.734 0.000 . . . . . A 64 ILE C . 19155 1 809 . 1 1 67 67 ILE CA C 13 64.722 0.000 . . . . . A 64 ILE CA . 19155 1 810 . 1 1 67 67 ILE CB C 13 37.971 0.000 . . . . . A 64 ILE CB . 19155 1 811 . 1 1 67 67 ILE CG1 C 13 29.178 0.000 . . . . . A 64 ILE CG1 . 19155 1 812 . 1 1 67 67 ILE CG2 C 13 17.393 0.000 . . . . . A 64 ILE CG2 . 19155 1 813 . 1 1 67 67 ILE CD1 C 13 12.719 0.000 . . . . . A 64 ILE CD1 . 19155 1 814 . 1 1 67 67 ILE N N 15 120.406 0.000 . . . . . A 64 ILE N . 19155 1 815 . 1 1 68 68 LEU H H 1 8.361 0.000 . . . . . A 65 LEU H . 19155 1 816 . 1 1 68 68 LEU HA H 1 4.212 0.000 . . . . . A 65 LEU HA . 19155 1 817 . 1 1 68 68 LEU HB2 H 1 2.210 0.000 . . . . . A 65 LEU HB2 . 19155 1 818 . 1 1 68 68 LEU HB3 H 1 1.442 0.000 . . . . . A 65 LEU HB3 . 19155 1 819 . 1 1 68 68 LEU HG H 1 2.116 0.000 . . . . . A 65 LEU HG . 19155 1 820 . 1 1 68 68 LEU HD11 H 1 1.094 0.000 . . . . . A 65 LEU HD11 . 19155 1 821 . 1 1 68 68 LEU HD12 H 1 1.094 0.000 . . . . . A 65 LEU HD12 . 19155 1 822 . 1 1 68 68 LEU HD13 H 1 1.094 0.000 . . . . . A 65 LEU HD13 . 19155 1 823 . 1 1 68 68 LEU HD21 H 1 0.900 0.000 . . . . . A 65 LEU HD21 . 19155 1 824 . 1 1 68 68 LEU HD22 H 1 0.900 0.000 . . . . . A 65 LEU HD22 . 19155 1 825 . 1 1 68 68 LEU HD23 H 1 0.900 0.000 . . . . . A 65 LEU HD23 . 19155 1 826 . 1 1 68 68 LEU C C 13 179.685 0.000 . . . . . A 65 LEU C . 19155 1 827 . 1 1 68 68 LEU CA C 13 58.004 0.000 . . . . . A 65 LEU CA . 19155 1 828 . 1 1 68 68 LEU CB C 13 42.553 0.000 . . . . . A 65 LEU CB . 19155 1 829 . 1 1 68 68 LEU CG C 13 27.081 0.000 . . . . . A 65 LEU CG . 19155 1 830 . 1 1 68 68 LEU CD1 C 13 23.793 0.000 . . . . . A 65 LEU CD1 . 19155 1 831 . 1 1 68 68 LEU CD2 C 13 26.772 0.000 . . . . . A 65 LEU CD2 . 19155 1 832 . 1 1 68 68 LEU N N 15 120.247 0.000 . . . . . A 65 LEU N . 19155 1 833 . 1 1 69 69 MET H H 1 8.458 0.000 . . . . . A 66 MET H . 19155 1 834 . 1 1 69 69 MET HA H 1 3.918 0.000 . . . . . A 66 MET HA . 19155 1 835 . 1 1 69 69 MET HB2 H 1 2.295 0.000 . . . . . A 66 MET HB2 . 19155 1 836 . 1 1 69 69 MET HB3 H 1 2.072 0.000 . . . . . A 66 MET HB3 . 19155 1 837 . 1 1 69 69 MET HG2 H 1 2.785 0.000 . . . . . A 66 MET HG2 . 19155 1 838 . 1 1 69 69 MET HG3 H 1 2.483 0.000 . . . . . A 66 MET HG3 . 19155 1 839 . 1 1 69 69 MET HE1 H 1 2.080 0.000 . . . . . A 66 MET HE1 . 19155 1 840 . 1 1 69 69 MET HE2 H 1 2.080 0.000 . . . . . A 66 MET HE2 . 19155 1 841 . 1 1 69 69 MET HE3 H 1 2.080 0.000 . . . . . A 66 MET HE3 . 19155 1 842 . 1 1 69 69 MET C C 13 178.906 0.000 . . . . . A 66 MET C . 19155 1 843 . 1 1 69 69 MET CA C 13 59.467 0.000 . . . . . A 66 MET CA . 19155 1 844 . 1 1 69 69 MET CB C 13 33.519 0.000 . . . . . A 66 MET CB . 19155 1 845 . 1 1 69 69 MET CG C 13 32.133 0.000 . . . . . A 66 MET CG . 19155 1 846 . 1 1 69 69 MET CE C 13 17.396 0.000 . . . . . A 66 MET CE . 19155 1 847 . 1 1 69 69 MET N N 15 118.685 0.000 . . . . . A 66 MET N . 19155 1 848 . 1 1 70 70 MET H H 1 7.559 0.000 . . . . . A 67 MET H . 19155 1 849 . 1 1 70 70 MET HA H 1 4.098 0.000 . . . . . A 67 MET HA . 19155 1 850 . 1 1 70 70 MET HB2 H 1 2.215 0.000 . . . . . A 67 MET HB2 . 19155 1 851 . 1 1 70 70 MET HB3 H 1 2.215 0.000 . . . . . A 67 MET HB3 . 19155 1 852 . 1 1 70 70 MET HG2 H 1 2.595 0.000 . . . . . A 67 MET HG2 . 19155 1 853 . 1 1 70 70 MET HG3 H 1 2.754 0.000 . . . . . A 67 MET HG3 . 19155 1 854 . 1 1 70 70 MET HE1 H 1 1.737 0.000 . . . . . A 67 MET HE1 . 19155 1 855 . 1 1 70 70 MET HE2 H 1 1.737 0.000 . . . . . A 67 MET HE2 . 19155 1 856 . 1 1 70 70 MET HE3 H 1 1.737 0.000 . . . . . A 67 MET HE3 . 19155 1 857 . 1 1 70 70 MET C C 13 178.781 0.000 . . . . . A 67 MET C . 19155 1 858 . 1 1 70 70 MET CA C 13 58.379 0.000 . . . . . A 67 MET CA . 19155 1 859 . 1 1 70 70 MET CB C 13 32.031 0.000 . . . . . A 67 MET CB . 19155 1 860 . 1 1 70 70 MET CG C 13 31.803 0.000 . . . . . A 67 MET CG . 19155 1 861 . 1 1 70 70 MET CE C 13 16.320 0.000 . . . . . A 67 MET CE . 19155 1 862 . 1 1 70 70 MET N N 15 118.685 0.000 . . . . . A 67 MET N . 19155 1 863 . 1 1 71 71 GLU H H 1 8.895 0.000 . . . . . A 68 GLU H . 19155 1 864 . 1 1 71 71 GLU HA H 1 3.990 0.000 . . . . . A 68 GLU HA . 19155 1 865 . 1 1 71 71 GLU HB2 H 1 2.329 0.000 . . . . . A 68 GLU HB2 . 19155 1 866 . 1 1 71 71 GLU HB3 H 1 2.097 0.000 . . . . . A 68 GLU HB3 . 19155 1 867 . 1 1 71 71 GLU HG2 H 1 2.231 0.000 . . . . . A 68 GLU HG2 . 19155 1 868 . 1 1 71 71 GLU HG3 H 1 2.501 0.000 . . . . . A 68 GLU HG3 . 19155 1 869 . 1 1 71 71 GLU C C 13 178.803 0.000 . . . . . A 68 GLU C . 19155 1 870 . 1 1 71 71 GLU CA C 13 59.459 0.000 . . . . . A 68 GLU CA . 19155 1 871 . 1 1 71 71 GLU CB C 13 30.706 0.000 . . . . . A 68 GLU CB . 19155 1 872 . 1 1 71 71 GLU CG C 13 36.776 0.000 . . . . . A 68 GLU CG . 19155 1 873 . 1 1 71 71 GLU N N 15 122.128 0.000 . . . . . A 68 GLU N . 19155 1 874 . 1 1 72 72 SER H H 1 8.161 0.000 . . . . . A 69 SER H . 19155 1 875 . 1 1 72 72 SER HA H 1 2.872 0.000 . . . . . A 69 SER HA . 19155 1 876 . 1 1 72 72 SER HB2 H 1 3.116 0.000 . . . . . A 69 SER HB2 . 19155 1 877 . 1 1 72 72 SER HB3 H 1 3.411 0.000 . . . . . A 69 SER HB3 . 19155 1 878 . 1 1 72 72 SER C C 13 175.801 0.000 . . . . . A 69 SER C . 19155 1 879 . 1 1 72 72 SER CA C 13 62.000 0.000 . . . . . A 69 SER CA . 19155 1 880 . 1 1 72 72 SER CB C 13 62.282 0.000 . . . . . A 69 SER CB . 19155 1 881 . 1 1 72 72 SER N N 15 114.769 0.000 . . . . . A 69 SER N . 19155 1 882 . 1 1 73 73 ARG H H 1 6.945 0.000 . . . . . A 70 ARG H . 19155 1 883 . 1 1 73 73 ARG HA H 1 3.744 0.000 . . . . . A 70 ARG HA . 19155 1 884 . 1 1 73 73 ARG HB2 H 1 1.581 0.000 . . . . . A 70 ARG HB2 . 19155 1 885 . 1 1 73 73 ARG HB3 H 1 1.660 0.000 . . . . . A 70 ARG HB3 . 19155 1 886 . 1 1 73 73 ARG HG2 H 1 0.740 0.000 . . . . . A 70 ARG HG2 . 19155 1 887 . 1 1 73 73 ARG HG3 H 1 1.351 0.000 . . . . . A 70 ARG HG3 . 19155 1 888 . 1 1 73 73 ARG HD2 H 1 2.725 0.000 . . . . . A 70 ARG HD2 . 19155 1 889 . 1 1 73 73 ARG HD3 H 1 2.725 0.000 . . . . . A 70 ARG HD3 . 19155 1 890 . 1 1 73 73 ARG HE H 1 7.071 0.000 . . . . . A 70 ARG HE . 19155 1 891 . 1 1 73 73 ARG C C 13 177.654 0.000 . . . . . A 70 ARG C . 19155 1 892 . 1 1 73 73 ARG CA C 13 59.793 0.000 . . . . . A 70 ARG CA . 19155 1 893 . 1 1 73 73 ARG CB C 13 29.974 0.000 . . . . . A 70 ARG CB . 19155 1 894 . 1 1 73 73 ARG CG C 13 27.098 0.000 . . . . . A 70 ARG CG . 19155 1 895 . 1 1 73 73 ARG CD C 13 43.588 0.000 . . . . . A 70 ARG CD . 19155 1 896 . 1 1 73 73 ARG N N 15 120.552 0.000 . . . . . A 70 ARG N . 19155 1 897 . 1 1 73 73 ARG NE N 15 84.939 0.000 . . . . . A 70 ARG NE . 19155 1 898 . 1 1 74 74 SER H H 1 7.721 0.000 . . . . . A 71 SER H . 19155 1 899 . 1 1 74 74 SER HA H 1 4.275 0.000 . . . . . A 71 SER HA . 19155 1 900 . 1 1 74 74 SER HB2 H 1 4.016 0.000 . . . . . A 71 SER HB2 . 19155 1 901 . 1 1 74 74 SER HB3 H 1 4.016 0.000 . . . . . A 71 SER HB3 . 19155 1 902 . 1 1 74 74 SER C C 13 177.491 0.000 . . . . . A 71 SER C . 19155 1 903 . 1 1 74 74 SER CA C 13 61.571 0.000 . . . . . A 71 SER CA . 19155 1 904 . 1 1 74 74 SER CB C 13 62.710 0.000 . . . . . A 71 SER CB . 19155 1 905 . 1 1 74 74 SER N N 15 113.064 0.000 . . . . . A 71 SER N . 19155 1 906 . 1 1 75 75 LYS H H 1 8.414 0.000 . . . . . A 72 LYS H . 19155 1 907 . 1 1 75 75 LYS HA H 1 4.170 0.000 . . . . . A 72 LYS HA . 19155 1 908 . 1 1 75 75 LYS HB2 H 1 1.863 0.000 . . . . . A 72 LYS HB2 . 19155 1 909 . 1 1 75 75 LYS HB3 H 1 2.033 0.000 . . . . . A 72 LYS HB3 . 19155 1 910 . 1 1 75 75 LYS HG2 H 1 1.612 0.000 . . . . . A 72 LYS HG2 . 19155 1 911 . 1 1 75 75 LYS HG3 H 1 1.612 0.000 . . . . . A 72 LYS HG3 . 19155 1 912 . 1 1 75 75 LYS HD2 H 1 1.764 0.000 . . . . . A 72 LYS HD2 . 19155 1 913 . 1 1 75 75 LYS HD3 H 1 1.764 0.000 . . . . . A 72 LYS HD3 . 19155 1 914 . 1 1 75 75 LYS C C 13 180.429 0.000 . . . . . A 72 LYS C . 19155 1 915 . 1 1 75 75 LYS CA C 13 58.725 0.000 . . . . . A 72 LYS CA . 19155 1 916 . 1 1 75 75 LYS CB C 13 32.131 0.000 . . . . . A 72 LYS CB . 19155 1 917 . 1 1 75 75 LYS CG C 13 25.303 0.000 . . . . . A 72 LYS CG . 19155 1 918 . 1 1 75 75 LYS CD C 13 28.897 0.000 . . . . . A 72 LYS CD . 19155 1 919 . 1 1 75 75 LYS N N 15 121.657 0.000 . . . . . A 72 LYS N . 19155 1 920 . 1 1 76 76 VAL H H 1 8.421 0.000 . . . . . A 73 VAL H . 19155 1 921 . 1 1 76 76 VAL HA H 1 3.598 0.000 . . . . . A 73 VAL HA . 19155 1 922 . 1 1 76 76 VAL HB H 1 2.591 0.000 . . . . . A 73 VAL HB . 19155 1 923 . 1 1 76 76 VAL HG11 H 1 1.201 0.000 . . . . . A 73 VAL HG11 . 19155 1 924 . 1 1 76 76 VAL HG12 H 1 1.201 0.000 . . . . . A 73 VAL HG12 . 19155 1 925 . 1 1 76 76 VAL HG13 H 1 1.201 0.000 . . . . . A 73 VAL HG13 . 19155 1 926 . 1 1 76 76 VAL HG21 H 1 1.115 0.000 . . . . . A 73 VAL HG21 . 19155 1 927 . 1 1 76 76 VAL HG22 H 1 1.115 0.000 . . . . . A 73 VAL HG22 . 19155 1 928 . 1 1 76 76 VAL HG23 H 1 1.115 0.000 . . . . . A 73 VAL HG23 . 19155 1 929 . 1 1 76 76 VAL C C 13 176.929 0.000 . . . . . A 73 VAL C . 19155 1 930 . 1 1 76 76 VAL CA C 13 66.975 0.000 . . . . . A 73 VAL CA . 19155 1 931 . 1 1 76 76 VAL CB C 13 31.704 0.000 . . . . . A 73 VAL CB . 19155 1 932 . 1 1 76 76 VAL CG1 C 13 23.900 0.000 . . . . . A 73 VAL CG1 . 19155 1 933 . 1 1 76 76 VAL CG2 C 13 22.115 0.000 . . . . . A 73 VAL CG2 . 19155 1 934 . 1 1 76 76 VAL N N 15 123.222 0.000 . . . . . A 73 VAL N . 19155 1 935 . 1 1 77 77 ASP H H 1 8.674 0.000 . . . . . A 74 ASP H . 19155 1 936 . 1 1 77 77 ASP HA H 1 4.393 0.000 . . . . . A 74 ASP HA . 19155 1 937 . 1 1 77 77 ASP HB2 H 1 2.709 0.000 . . . . . A 74 ASP HB2 . 19155 1 938 . 1 1 77 77 ASP HB3 H 1 2.864 0.000 . . . . . A 74 ASP HB3 . 19155 1 939 . 1 1 77 77 ASP C C 13 180.001 0.000 . . . . . A 74 ASP C . 19155 1 940 . 1 1 77 77 ASP CA C 13 57.324 0.000 . . . . . A 74 ASP CA . 19155 1 941 . 1 1 77 77 ASP CB C 13 39.326 0.000 . . . . . A 74 ASP CB . 19155 1 942 . 1 1 77 77 ASP N N 15 120.101 0.000 . . . . . A 74 ASP N . 19155 1 943 . 1 1 78 78 GLU H H 1 8.475 0.000 . . . . . A 75 GLU H . 19155 1 944 . 1 1 78 78 GLU HA H 1 4.113 0.000 . . . . . A 75 GLU HA . 19155 1 945 . 1 1 78 78 GLU HB2 H 1 2.222 0.000 . . . . . A 75 GLU HB2 . 19155 1 946 . 1 1 78 78 GLU HB3 H 1 2.160 0.000 . . . . . A 75 GLU HB3 . 19155 1 947 . 1 1 78 78 GLU HG2 H 1 2.442 0.000 . . . . . A 75 GLU HG2 . 19155 1 948 . 1 1 78 78 GLU HG3 H 1 2.442 0.000 . . . . . A 75 GLU HG3 . 19155 1 949 . 1 1 78 78 GLU C C 13 178.732 0.000 . . . . . A 75 GLU C . 19155 1 950 . 1 1 78 78 GLU CA C 13 59.083 0.000 . . . . . A 75 GLU CA . 19155 1 951 . 1 1 78 78 GLU CB C 13 29.975 0.000 . . . . . A 75 GLU CB . 19155 1 952 . 1 1 78 78 GLU CG C 13 36.440 0.000 . . . . . A 75 GLU CG . 19155 1 953 . 1 1 78 78 GLU N N 15 121.349 0.000 . . . . . A 75 GLU N . 19155 1 954 . 1 1 79 79 ALA H H 1 7.944 0.000 . . . . . A 76 ALA H . 19155 1 955 . 1 1 79 79 ALA HA H 1 4.281 0.000 . . . . . A 76 ALA HA . 19155 1 956 . 1 1 79 79 ALA HB1 H 1 1.561 0.000 . . . . . A 76 ALA HB1 . 19155 1 957 . 1 1 79 79 ALA HB2 H 1 1.561 0.000 . . . . . A 76 ALA HB2 . 19155 1 958 . 1 1 79 79 ALA HB3 H 1 1.561 0.000 . . . . . A 76 ALA HB3 . 19155 1 959 . 1 1 79 79 ALA C C 13 179.906 0.000 . . . . . A 76 ALA C . 19155 1 960 . 1 1 79 79 ALA CA C 13 55.530 0.000 . . . . . A 76 ALA CA . 19155 1 961 . 1 1 79 79 ALA CB C 13 17.424 0.000 . . . . . A 76 ALA CB . 19155 1 962 . 1 1 79 79 ALA N N 15 124.160 0.000 . . . . . A 76 ALA N . 19155 1 963 . 1 1 80 80 VAL H H 1 8.204 0.000 . . . . . A 77 VAL H . 19155 1 964 . 1 1 80 80 VAL HA H 1 3.644 0.000 . . . . . A 77 VAL HA . 19155 1 965 . 1 1 80 80 VAL HB H 1 2.256 0.000 . . . . . A 77 VAL HB . 19155 1 966 . 1 1 80 80 VAL HG11 H 1 0.948 0.000 . . . . . A 77 VAL HG11 . 19155 1 967 . 1 1 80 80 VAL HG12 H 1 0.948 0.000 . . . . . A 77 VAL HG12 . 19155 1 968 . 1 1 80 80 VAL HG13 H 1 0.948 0.000 . . . . . A 77 VAL HG13 . 19155 1 969 . 1 1 80 80 VAL HG21 H 1 1.132 0.000 . . . . . A 77 VAL HG21 . 19155 1 970 . 1 1 80 80 VAL HG22 H 1 1.132 0.000 . . . . . A 77 VAL HG22 . 19155 1 971 . 1 1 80 80 VAL HG23 H 1 1.132 0.000 . . . . . A 77 VAL HG23 . 19155 1 972 . 1 1 80 80 VAL C C 13 178.784 0.000 . . . . . A 77 VAL C . 19155 1 973 . 1 1 80 80 VAL CA C 13 66.958 0.000 . . . . . A 77 VAL CA . 19155 1 974 . 1 1 80 80 VAL CB C 13 31.807 0.000 . . . . . A 77 VAL CB . 19155 1 975 . 1 1 80 80 VAL CG1 C 13 21.360 0.000 . . . . . A 77 VAL CG1 . 19155 1 976 . 1 1 80 80 VAL CG2 C 13 23.865 0.000 . . . . . A 77 VAL CG2 . 19155 1 977 . 1 1 80 80 VAL N N 15 117.439 0.000 . . . . . A 77 VAL N . 19155 1 978 . 1 1 81 81 SER H H 1 7.935 0.000 . . . . . A 78 SER H . 19155 1 979 . 1 1 81 81 SER HA H 1 4.266 0.000 . . . . . A 78 SER HA . 19155 1 980 . 1 1 81 81 SER HB2 H 1 4.030 0.000 . . . . . A 78 SER HB2 . 19155 1 981 . 1 1 81 81 SER HB3 H 1 4.030 0.000 . . . . . A 78 SER HB3 . 19155 1 982 . 1 1 81 81 SER C C 13 176.762 0.000 . . . . . A 78 SER C . 19155 1 983 . 1 1 81 81 SER CA C 13 61.241 0.000 . . . . . A 78 SER CA . 19155 1 984 . 1 1 81 81 SER CB C 13 62.678 0.000 . . . . . A 78 SER CB . 19155 1 985 . 1 1 81 81 SER N N 15 113.687 0.000 . . . . . A 78 SER N . 19155 1 986 . 1 1 82 82 LYS H H 1 7.989 0.000 . . . . . A 79 LYS H . 19155 1 987 . 1 1 82 82 LYS HA H 1 4.070 0.000 . . . . . A 79 LYS HA . 19155 1 988 . 1 1 82 82 LYS HB2 H 1 1.902 0.000 . . . . . A 79 LYS HB2 . 19155 1 989 . 1 1 82 82 LYS HB3 H 1 1.902 0.000 . . . . . A 79 LYS HB3 . 19155 1 990 . 1 1 82 82 LYS HG2 H 1 1.154 0.000 . . . . . A 79 LYS HG2 . 19155 1 991 . 1 1 82 82 LYS HG3 H 1 1.460 0.000 . . . . . A 79 LYS HG3 . 19155 1 992 . 1 1 82 82 LYS HD2 H 1 1.624 0.000 . . . . . A 79 LYS HD2 . 19155 1 993 . 1 1 82 82 LYS HD3 H 1 1.624 0.000 . . . . . A 79 LYS HD3 . 19155 1 994 . 1 1 82 82 LYS HE2 H 1 2.841 0.000 . . . . . A 79 LYS HE2 . 19155 1 995 . 1 1 82 82 LYS HE3 H 1 2.841 0.000 . . . . . A 79 LYS HE3 . 19155 1 996 . 1 1 82 82 LYS C C 13 178.135 0.000 . . . . . A 79 LYS C . 19155 1 997 . 1 1 82 82 LYS CA C 13 58.723 0.000 . . . . . A 79 LYS CA . 19155 1 998 . 1 1 82 82 LYS CB C 13 32.489 0.000 . . . . . A 79 LYS CB . 19155 1 999 . 1 1 82 82 LYS CG C 13 24.925 0.000 . . . . . A 79 LYS CG . 19155 1 1000 . 1 1 82 82 LYS CD C 13 29.300 0.000 . . . . . A 79 LYS CD . 19155 1 1001 . 1 1 82 82 LYS CE C 13 41.814 0.000 . . . . . A 79 LYS CE . 19155 1 1002 . 1 1 82 82 LYS N N 15 121.029 0.000 . . . . . A 79 LYS N . 19155 1 1003 . 1 1 83 83 PHE H H 1 7.838 0.000 . . . . . A 80 PHE H . 19155 1 1004 . 1 1 83 83 PHE HA H 1 4.490 0.000 . . . . . A 80 PHE HA . 19155 1 1005 . 1 1 83 83 PHE HB2 H 1 3.074 0.000 . . . . . A 80 PHE HB2 . 19155 1 1006 . 1 1 83 83 PHE HB3 H 1 3.334 0.000 . . . . . A 80 PHE HB3 . 19155 1 1007 . 1 1 83 83 PHE HD1 H 1 7.555 0.000 . . . . . A 80 PHE HD1 . 19155 1 1008 . 1 1 83 83 PHE HD2 H 1 7.555 0.000 . . . . . A 80 PHE HD2 . 19155 1 1009 . 1 1 83 83 PHE HE1 H 1 7.344 0.000 . . . . . A 80 PHE HE1 . 19155 1 1010 . 1 1 83 83 PHE HE2 H 1 7.344 0.000 . . . . . A 80 PHE HE2 . 19155 1 1011 . 1 1 83 83 PHE HZ H 1 7.270 0.000 . . . . . A 80 PHE HZ . 19155 1 1012 . 1 1 83 83 PHE C C 13 176.236 0.000 . . . . . A 80 PHE C . 19155 1 1013 . 1 1 83 83 PHE CA C 13 59.444 0.000 . . . . . A 80 PHE CA . 19155 1 1014 . 1 1 83 83 PHE CB C 13 40.032 0.000 . . . . . A 80 PHE CB . 19155 1 1015 . 1 1 83 83 PHE CE1 C 13 134.904 0.000 . . . . . A 80 PHE CE1 . 19155 1 1016 . 1 1 83 83 PHE CZ C 13 131.895 0.000 . . . . . A 80 PHE CZ . 19155 1 1017 . 1 1 83 83 PHE N N 15 117.437 0.000 . . . . . A 80 PHE N . 19155 1 1018 . 1 1 84 84 GLU H H 1 7.864 0.000 . . . . . A 81 GLU H . 19155 1 1019 . 1 1 84 84 GLU HA H 1 4.290 0.000 . . . . . A 81 GLU HA . 19155 1 1020 . 1 1 84 84 GLU HB2 H 1 2.077 0.000 . . . . . A 81 GLU HB2 . 19155 1 1021 . 1 1 84 84 GLU HB3 H 1 2.134 0.000 . . . . . A 81 GLU HB3 . 19155 1 1022 . 1 1 84 84 GLU HG2 H 1 2.302 0.000 . . . . . A 81 GLU HG2 . 19155 1 1023 . 1 1 84 84 GLU HG3 H 1 2.445 0.000 . . . . . A 81 GLU HG3 . 19155 1 1024 . 1 1 84 84 GLU C C 13 175.715 0.000 . . . . . A 81 GLU C . 19155 1 1025 . 1 1 84 84 GLU CA C 13 56.928 0.000 . . . . . A 81 GLU CA . 19155 1 1026 . 1 1 84 84 GLU CB C 13 29.997 0.000 . . . . . A 81 GLU CB . 19155 1 1027 . 1 1 84 84 GLU CG C 13 36.414 0.000 . . . . . A 81 GLU CG . 19155 1 1028 . 1 1 84 84 GLU N N 15 120.092 0.000 . . . . . A 81 GLU N . 19155 1 1029 . 1 1 85 85 LYS H H 1 7.515 0.000 . . . . . A 82 LYS H . 19155 1 1030 . 1 1 85 85 LYS HA H 1 4.118 0.000 . . . . . A 82 LYS HA . 19155 1 1031 . 1 1 85 85 LYS HB2 H 1 1.809 0.000 . . . . . A 82 LYS HB2 . 19155 1 1032 . 1 1 85 85 LYS HB3 H 1 1.848 0.000 . . . . . A 82 LYS HB3 . 19155 1 1033 . 1 1 85 85 LYS HG2 H 1 1.467 0.000 . . . . . A 82 LYS HG2 . 19155 1 1034 . 1 1 85 85 LYS HG3 H 1 1.467 0.000 . . . . . A 82 LYS HG3 . 19155 1 1035 . 1 1 85 85 LYS HD2 H 1 1.710 0.000 . . . . . A 82 LYS HD2 . 19155 1 1036 . 1 1 85 85 LYS HD3 H 1 1.710 0.000 . . . . . A 82 LYS HD3 . 19155 1 1037 . 1 1 85 85 LYS HE2 H 1 3.018 0.000 . . . . . A 82 LYS HE2 . 19155 1 1038 . 1 1 85 85 LYS HE3 H 1 3.018 0.000 . . . . . A 82 LYS HE3 . 19155 1 1039 . 1 1 85 85 LYS C C 13 173.455 0.000 . . . . . A 82 LYS C . 19155 1 1040 . 1 1 85 85 LYS CA C 13 58.007 0.000 . . . . . A 82 LYS CA . 19155 1 1041 . 1 1 85 85 LYS CB C 13 33.556 0.000 . . . . . A 82 LYS CB . 19155 1 1042 . 1 1 85 85 LYS CG C 13 24.962 0.000 . . . . . A 82 LYS CG . 19155 1 1043 . 1 1 85 85 LYS CD C 13 29.216 0.000 . . . . . A 82 LYS CD . 19155 1 1044 . 1 1 85 85 LYS CE C 13 41.855 0.000 . . . . . A 82 LYS CE . 19155 1 1045 . 1 1 85 85 LYS N N 15 125.717 0.000 . . . . . A 82 LYS N . 19155 1 stop_ save_