data_19713 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19713 _Entry.Title ; Solution Structure of Domain-Swapped GLPG ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-31 _Entry.Accession_date 2013-12-31 _Entry.Last_release_date 2014-11-10 _Entry.Original_release_date 2014-11-10 _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 'NMR, 20 STRUCTURES' _Entry.Details 'Solution Structure of Domain-Swapped N-terminal Cytosolic Domain of Rhomboid Intramembrane Protease from Escherichia Coli' _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 Houman Ghasriani . . . 19713 2 Jason Kwok . K.C. . 19713 3 Allison Sherrat . R. . 19713 4 Natalie Goto . K. . 19713 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' . 19713 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CELL MEMBRANE' . 19713 CYTOSOL . 19713 'DOMAIN SWAPPING' . 19713 HYDROLASE . 19713 'INTRAMEMBRANE PROTEASE' . 19713 'MEMBRANE PROTEIN' . 19713 MICELLES . 19713 PEPTIDASE . 19713 'RHOMBOID PROTEASE' . 19713 'SERINE PROTEASE' . 19713 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19713 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 193 19713 '15N chemical shifts' 69 19713 '1H chemical shifts' 429 19713 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 . . 2014-11-10 2013-12-31 original author . 19713 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17720 'Monomer (Solution Structure)' 19713 PDB 2LEP 'Monomer (Solution Structure)' 19713 PDB 2MJA 'BMRB Entry Tracking System' 19713 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19713 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25162988 _Citation.Full_citation . _Citation.Title 'Micelle-Catalyzed Domain Swapping in the GlpG Rhomboid Protease Cytoplasmic Domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 53 _Citation.Journal_issue 37 _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 5907 _Citation.Page_last 5915 _Citation.Year 2014 _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 Houman Ghasriani . . . 19713 1 2 Jason Kwok . K.C. . 19713 1 3 Allison Sherrat . R. . 19713 1 4 Alexander Foo . C.Y. . 19713 1 5 Tabussom Qureshi . . . 19713 1 6 Natalie Goto . K. . 19713 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19713 _Assembly.ID 1 _Assembly.Name 'Domain-Swapped GLPG' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Domain_Swapped_GLPG_1 1 $Domain_Swapped_GLPG A . yes native no no . . . 19713 1 2 Domain_Swapped_GLPG_2 1 $Domain_Swapped_GLPG B . yes native no no . . . 19713 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Domain_Swapped_GLPG _Entity.Sf_category entity _Entity.Sf_framecode Domain_Swapped_GLPG _Entity.Entry_ID 19713 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Domain_Swapped_GLPG _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MLMITSFANPRVAQAFVDYM ATQGVILTIQQHNQSDVWLA DESQAERVRAELARFLENPA DLE ; _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 63 _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 7156.092 _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 yes NCBI ECs4267 . "Intramembrane Serine Protease GlpG" . . . . . . . . . . . . . . 19713 1 2 no BMRB 17720 . NGlpG . . . . . 100.00 63 98.41 100.00 2.00e-36 . . . . 19713 1 3 no PDB 2LEP . "Solution Structure Of N-Terminal Cytosolic Domain Of Rhomboid Intramembrane Protease From Escherichia Coli" . . . . . 100.00 69 98.41 100.00 1.16e-36 . . . . 19713 1 4 no PDB 2MJA . "Solution Structure Of Domain-swapped Glpg" . . . . . 100.00 69 100.00 100.00 2.80e-37 . . . . 19713 1 5 no DBJ BAB37690 . "protein of glp regulon [Escherichia coli O157:H7 str. Sakai]" . . . . . 96.83 276 100.00 100.00 8.30e-34 . . . . 19713 1 6 no DBJ BAE77868 . "predicted intramembrane serine protease [Escherichia coli str. K12 substr. W3110]" . . . . . 96.83 276 100.00 100.00 7.79e-34 . . . . 19713 1 7 no DBJ BAG79214 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 96.83 276 100.00 100.00 7.70e-34 . . . . 19713 1 8 no DBJ BAI27681 . "predicted intramembrane serine protease GlpG [Escherichia coli O26:H11 str. 11368]" . . . . . 96.83 276 100.00 100.00 7.70e-34 . . . . 19713 1 9 no DBJ BAI32850 . "predicted intramembrane serine protease GlpG [Escherichia coli O103:H2 str. 12009]" . . . . . 96.83 276 100.00 100.00 7.70e-34 . . . . 19713 1 10 no EMBL CAP77869 . "Protein glpG [Escherichia coli LF82]" . . . . . 96.83 276 100.00 100.00 7.79e-34 . . . . 19713 1 11 no EMBL CAQ33744 . "intramembrane serine protease GlpG [Escherichia coli BL21(DE3)]" . . . . . 96.83 276 100.00 100.00 7.79e-34 . . . . 19713 1 12 no EMBL CAR00366 . "putative intramembrane serine protease [Escherichia coli IAI1]" . . . . . 96.83 276 100.00 100.00 7.70e-34 . . . . 19713 1 13 no EMBL CAR05025 . "putative intramembrane serine protease [Escherichia coli S88]" . . . . . 96.83 276 100.00 100.00 7.79e-34 . . . . 19713 1 14 no EMBL CAR10074 . "putative intramembrane serine protease [Escherichia coli ED1a]" . . . . . 96.83 276 98.36 98.36 6.12e-33 . . . . 19713 1 15 no GB AAG58528 . "protein of glp regulon [Escherichia coli O157:H7 str. EDL933]" . . . . . 96.83 276 100.00 100.00 8.30e-34 . . . . 19713 1 16 no GB AAN44906 . "protein of glp regulon [Shigella flexneri 2a str. 301]" . . . . . 93.65 274 100.00 100.00 1.78e-32 . . . . 19713 1 17 no GB AAN82639 . "Protein glpG [Escherichia coli CFT073]" . . . . . 96.83 276 100.00 100.00 7.79e-34 . . . . 19713 1 18 no GB AAP19275 . "protein of glp regulon [Shigella flexneri 2a str. 2457T]" . . . . . 93.65 274 100.00 100.00 1.78e-32 . . . . 19713 1 19 no GB AAT48182 . "rhomboid intramembrane serine protease [Escherichia coli str. K-12 substr. MG1655]" . . . . . 96.83 276 100.00 100.00 7.79e-34 . . . . 19713 1 20 no REF NP_312294 . "intramembrane serine protease GlpG [Escherichia coli O157:H7 str. Sakai]" . . . . . 96.83 276 100.00 100.00 8.30e-34 . . . . 19713 1 21 no REF NP_709199 . "intramembrane serine protease GlpG [Shigella flexneri 2a str. 301]" . . . . . 93.65 274 100.00 100.00 1.78e-32 . . . . 19713 1 22 no REF WP_000541600 . "intramembrane serine protease GlpG, partial [Shigella flexneri]" . . . . . 57.14 251 100.00 100.00 2.72e-15 . . . . 19713 1 23 no REF WP_000928708 . "intramembrane serine protease GlpG [Escherichia coli]" . . . . . 96.83 276 98.36 98.36 6.80e-33 . . . . 19713 1 24 no REF WP_000928709 . "intramembrane serine protease GlpG [Escherichia coli]" . . . . . 96.83 276 98.36 98.36 6.59e-33 . . . . 19713 1 25 no SP A1AGU7 . "RecName: Full=Rhomboid protease GlpG; AltName: Full=Intramembrane serine protease" . . . . . 96.83 276 100.00 100.00 7.79e-34 . . . . 19713 1 26 no SP A7ZSV4 . "RecName: Full=Rhomboid protease GlpG; AltName: Full=Intramembrane serine protease" . . . . . 96.83 276 100.00 100.00 7.70e-34 . . . . 19713 1 27 no SP A8A5N2 . "RecName: Full=Rhomboid protease GlpG; AltName: Full=Intramembrane serine protease" . . . . . 96.83 276 100.00 100.00 7.79e-34 . . . . 19713 1 28 no SP A8AQX4 . "RecName: Full=Rhomboid protease GlpG; AltName: Full=Intramembrane serine protease" . . . . . 96.83 276 98.36 100.00 3.21e-33 . . . . 19713 1 29 no SP B1IP42 . "RecName: Full=Rhomboid protease GlpG; AltName: Full=Intramembrane serine protease" . . . . . 96.83 276 100.00 100.00 7.79e-34 . . . . 19713 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 19713 1 2 2 LEU . 19713 1 3 3 MET . 19713 1 4 4 ILE . 19713 1 5 5 THR . 19713 1 6 6 SER . 19713 1 7 7 PHE . 19713 1 8 8 ALA . 19713 1 9 9 ASN . 19713 1 10 10 PRO . 19713 1 11 11 ARG . 19713 1 12 12 VAL . 19713 1 13 13 ALA . 19713 1 14 14 GLN . 19713 1 15 15 ALA . 19713 1 16 16 PHE . 19713 1 17 17 VAL . 19713 1 18 18 ASP . 19713 1 19 19 TYR . 19713 1 20 20 MET . 19713 1 21 21 ALA . 19713 1 22 22 THR . 19713 1 23 23 GLN . 19713 1 24 24 GLY . 19713 1 25 25 VAL . 19713 1 26 26 ILE . 19713 1 27 27 LEU . 19713 1 28 28 THR . 19713 1 29 29 ILE . 19713 1 30 30 GLN . 19713 1 31 31 GLN . 19713 1 32 32 HIS . 19713 1 33 33 ASN . 19713 1 34 34 GLN . 19713 1 35 35 SER . 19713 1 36 36 ASP . 19713 1 37 37 VAL . 19713 1 38 38 TRP . 19713 1 39 39 LEU . 19713 1 40 40 ALA . 19713 1 41 41 ASP . 19713 1 42 42 GLU . 19713 1 43 43 SER . 19713 1 44 44 GLN . 19713 1 45 45 ALA . 19713 1 46 46 GLU . 19713 1 47 47 ARG . 19713 1 48 48 VAL . 19713 1 49 49 ARG . 19713 1 50 50 ALA . 19713 1 51 51 GLU . 19713 1 52 52 LEU . 19713 1 53 53 ALA . 19713 1 54 54 ARG . 19713 1 55 55 PHE . 19713 1 56 56 LEU . 19713 1 57 57 GLU . 19713 1 58 58 ASN . 19713 1 59 59 PRO . 19713 1 60 60 ALA . 19713 1 61 61 ASP . 19713 1 62 62 LEU . 19713 1 63 63 GLU . 19713 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 . MET 1 1 19713 1 . LEU 2 2 19713 1 . MET 3 3 19713 1 . ILE 4 4 19713 1 . THR 5 5 19713 1 . SER 6 6 19713 1 . PHE 7 7 19713 1 . ALA 8 8 19713 1 . ASN 9 9 19713 1 . PRO 10 10 19713 1 . ARG 11 11 19713 1 . VAL 12 12 19713 1 . ALA 13 13 19713 1 . GLN 14 14 19713 1 . ALA 15 15 19713 1 . PHE 16 16 19713 1 . VAL 17 17 19713 1 . ASP 18 18 19713 1 . TYR 19 19 19713 1 . MET 20 20 19713 1 . ALA 21 21 19713 1 . THR 22 22 19713 1 . GLN 23 23 19713 1 . GLY 24 24 19713 1 . VAL 25 25 19713 1 . ILE 26 26 19713 1 . LEU 27 27 19713 1 . THR 28 28 19713 1 . ILE 29 29 19713 1 . GLN 30 30 19713 1 . GLN 31 31 19713 1 . HIS 32 32 19713 1 . ASN 33 33 19713 1 . GLN 34 34 19713 1 . SER 35 35 19713 1 . ASP 36 36 19713 1 . VAL 37 37 19713 1 . TRP 38 38 19713 1 . LEU 39 39 19713 1 . ALA 40 40 19713 1 . ASP 41 41 19713 1 . GLU 42 42 19713 1 . SER 43 43 19713 1 . GLN 44 44 19713 1 . ALA 45 45 19713 1 . GLU 46 46 19713 1 . ARG 47 47 19713 1 . VAL 48 48 19713 1 . ARG 49 49 19713 1 . ALA 50 50 19713 1 . GLU 51 51 19713 1 . LEU 52 52 19713 1 . ALA 53 53 19713 1 . ARG 54 54 19713 1 . PHE 55 55 19713 1 . LEU 56 56 19713 1 . GLU 57 57 19713 1 . ASN 58 58 19713 1 . PRO 59 59 19713 1 . ALA 60 60 19713 1 . ASP 61 61 19713 1 . LEU 62 62 19713 1 . GLU 63 63 19713 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 19713 _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 $Domain_Swapped_GLPG . 562 plasmid . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . 'GLPG1, ECS4267;' . . . $citations 19713 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 19713 _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 $Domain_Swapped_GLPG . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . 'PET 30A +' . . . . . $citations 19713 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19713 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '25mM NaH2PO4, 150mM NaCl' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Domain Swapped GLPG' '[U-100% 13C; U-100% 15N]' . . 1 $Domain_Swapped_GLPG . . 1 . . mM . . . . 19713 1 2 NaH2PO4 'natural abundance' . . . . . . 25 . . mM . . . . 19713 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 19713 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19713 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19713 1 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 19713 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.3 . M 19713 1 pH 6.5 . pH 19713 1 pressure 1 . atm 19713 1 temperature 298 . K 19713 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19713 _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' . . 19713 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19713 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 19713 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Ottawa, Ontario.' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19713 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Montreal, Quebec.' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19713 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 500 'Ottawa, Ontario.' . . 19713 1 2 spectrometer_2 Varian INOVA . 800 'Montreal, Quebec.' . . 19713 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 19713 _Experiment_list.ID 1 _Experiment_list.Details 'Filter-Edited (3D) 1H-13C NOESY was acquired on 800 MHz Varian spectrometer.' 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 . . . . . . . . . . . . . . . . 19713 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19713 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19713 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19713 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19713 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19713 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19713 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 19713 _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 na indirect 0.251449530 . . . . . . . . . 19713 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.000000000 . . . . . . . . . 19713 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 19713 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 19713 _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' . . . 19713 1 2 '3D HNCO' . . . 19713 1 3 '3D HNCA' . . . 19713 1 4 '3D HNCACB' . . . 19713 1 5 '3D HCCH-TOCSY' . . . 19713 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HB2 H 1 2.291 0.020 . 2 . . . A 1 MET HB2 . 19713 1 2 . 1 1 1 1 MET HG3 H 1 2.615 0.020 . 2 . . . A 1 MET HG3 . 19713 1 3 . 1 1 1 1 MET HE1 H 1 1.807 0.020 . 1 . . . A 1 MET HE1 . 19713 1 4 . 1 1 1 1 MET HE2 H 1 1.807 0.020 . 1 . . . A 1 MET HE2 . 19713 1 5 . 1 1 1 1 MET HE3 H 1 1.807 0.020 . 1 . . . A 1 MET HE3 . 19713 1 6 . 1 1 1 1 MET CB C 13 34.316 0.400 . 1 . . . A 1 MET CB . 19713 1 7 . 1 1 1 1 MET CG C 13 30.877 0.400 . 1 . . . A 1 MET CG . 19713 1 8 . 1 1 1 1 MET CE C 13 16.696 0.400 . 1 . . . A 1 MET CE . 19713 1 9 . 1 1 2 2 LEU H H 1 8.977 0.020 . 1 . . . A 2 LEU H . 19713 1 10 . 1 1 2 2 LEU HA H 1 4.840 0.020 . 1 . . . A 2 LEU HA . 19713 1 11 . 1 1 2 2 LEU HB2 H 1 1.601 0.020 . 2 . . . A 2 LEU HB2 . 19713 1 12 . 1 1 2 2 LEU HB3 H 1 1.555 0.020 . 2 . . . A 2 LEU HB3 . 19713 1 13 . 1 1 2 2 LEU HG H 1 1.465 0.020 . 1 . . . A 2 LEU HG . 19713 1 14 . 1 1 2 2 LEU HD11 H 1 0.885 0.020 . 2 . . . A 2 LEU HD11 . 19713 1 15 . 1 1 2 2 LEU HD12 H 1 0.885 0.020 . 2 . . . A 2 LEU HD12 . 19713 1 16 . 1 1 2 2 LEU HD13 H 1 0.885 0.020 . 2 . . . A 2 LEU HD13 . 19713 1 17 . 1 1 2 2 LEU HD21 H 1 0.894 0.020 . 2 . . . A 2 LEU HD21 . 19713 1 18 . 1 1 2 2 LEU HD22 H 1 0.894 0.020 . 2 . . . A 2 LEU HD22 . 19713 1 19 . 1 1 2 2 LEU HD23 H 1 0.894 0.020 . 2 . . . A 2 LEU HD23 . 19713 1 20 . 1 1 2 2 LEU CA C 13 53.699 0.400 . 1 . . . A 2 LEU CA . 19713 1 21 . 1 1 2 2 LEU CB C 13 46.543 0.400 . 1 . . . A 2 LEU CB . 19713 1 22 . 1 1 2 2 LEU CG C 13 26.801 0.400 . 1 . . . A 2 LEU CG . 19713 1 23 . 1 1 2 2 LEU CD1 C 13 25.010 0.400 . 1 . . . A 2 LEU CD1 . 19713 1 24 . 1 1 2 2 LEU CD2 C 13 25.489 0.400 . 1 . . . A 2 LEU CD2 . 19713 1 25 . 1 1 2 2 LEU N N 15 123.873 0.400 . 1 . . . A 2 LEU N . 19713 1 26 . 1 1 3 3 MET H H 1 8.669 0.020 . 1 . . . A 3 MET H . 19713 1 27 . 1 1 3 3 MET HA H 1 3.402 0.020 . 1 . . . A 3 MET HA . 19713 1 28 . 1 1 3 3 MET HB2 H 1 1.385 0.020 . 2 . . . A 3 MET HB2 . 19713 1 29 . 1 1 3 3 MET HB3 H 1 -0.168 0.020 . 2 . . . A 3 MET HB3 . 19713 1 30 . 1 1 3 3 MET HG2 H 1 1.259 0.020 . 2 . . . A 3 MET HG2 . 19713 1 31 . 1 1 3 3 MET HG3 H 1 1.161 0.020 . 2 . . . A 3 MET HG3 . 19713 1 32 . 1 1 3 3 MET HE1 H 1 1.653 0.020 . 1 . . . A 3 MET HE1 . 19713 1 33 . 1 1 3 3 MET HE2 H 1 1.653 0.020 . 1 . . . A 3 MET HE2 . 19713 1 34 . 1 1 3 3 MET HE3 H 1 1.653 0.020 . 1 . . . A 3 MET HE3 . 19713 1 35 . 1 1 3 3 MET CA C 13 55.648 0.400 . 1 . . . A 3 MET CA . 19713 1 36 . 1 1 3 3 MET CB C 13 31.068 0.400 . 1 . . . A 3 MET CB . 19713 1 37 . 1 1 3 3 MET CG C 13 32.294 0.400 . 1 . . . A 3 MET CG . 19713 1 38 . 1 1 3 3 MET CE C 13 17.109 0.400 . 1 . . . A 3 MET CE . 19713 1 39 . 1 1 3 3 MET N N 15 128.873 0.400 . 1 . . . A 3 MET N . 19713 1 40 . 1 1 4 4 ILE H H 1 8.843 0.020 . 1 . . . A 4 ILE H . 19713 1 41 . 1 1 4 4 ILE HA H 1 3.923 0.020 . 1 . . . A 4 ILE HA . 19713 1 42 . 1 1 4 4 ILE HB H 1 1.749 0.020 . 1 . . . A 4 ILE HB . 19713 1 43 . 1 1 4 4 ILE HG12 H 1 1.569 0.020 . 2 . . . A 4 ILE HG12 . 19713 1 44 . 1 1 4 4 ILE HG13 H 1 1.242 0.020 . 2 . . . A 4 ILE HG13 . 19713 1 45 . 1 1 4 4 ILE HG21 H 1 0.788 0.020 . 1 . . . A 4 ILE HG21 . 19713 1 46 . 1 1 4 4 ILE HG22 H 1 0.788 0.020 . 1 . . . A 4 ILE HG22 . 19713 1 47 . 1 1 4 4 ILE HG23 H 1 0.788 0.020 . 1 . . . A 4 ILE HG23 . 19713 1 48 . 1 1 4 4 ILE HD11 H 1 0.705 0.020 . 1 . . . A 4 ILE HD11 . 19713 1 49 . 1 1 4 4 ILE HD12 H 1 0.705 0.020 . 1 . . . A 4 ILE HD12 . 19713 1 50 . 1 1 4 4 ILE HD13 H 1 0.705 0.020 . 1 . . . A 4 ILE HD13 . 19713 1 51 . 1 1 4 4 ILE CA C 13 59.664 0.400 . 1 . . . A 4 ILE CA . 19713 1 52 . 1 1 4 4 ILE CB C 13 37.874 0.400 . 1 . . . A 4 ILE CB . 19713 1 53 . 1 1 4 4 ILE CG1 C 13 27.041 0.400 . 1 . . . A 4 ILE CG1 . 19713 1 54 . 1 1 4 4 ILE CG2 C 13 16.973 0.400 . 1 . . . A 4 ILE CG2 . 19713 1 55 . 1 1 4 4 ILE CD1 C 13 9.236 0.400 . 1 . . . A 4 ILE CD1 . 19713 1 56 . 1 1 4 4 ILE N N 15 127.600 0.400 . 1 . . . A 4 ILE N . 19713 1 57 . 1 1 5 5 THR H H 1 7.255 0.020 . 1 . . . A 5 THR H . 19713 1 58 . 1 1 5 5 THR HA H 1 4.232 0.020 . 1 . . . A 5 THR HA . 19713 1 59 . 1 1 5 5 THR HB H 1 3.982 0.020 . 1 . . . A 5 THR HB . 19713 1 60 . 1 1 5 5 THR HG21 H 1 0.426 0.020 . 1 . . . A 5 THR HG21 . 19713 1 61 . 1 1 5 5 THR HG22 H 1 0.426 0.020 . 1 . . . A 5 THR HG22 . 19713 1 62 . 1 1 5 5 THR HG23 H 1 0.426 0.020 . 1 . . . A 5 THR HG23 . 19713 1 63 . 1 1 5 5 THR CA C 13 60.044 0.400 . 1 . . . A 5 THR CA . 19713 1 64 . 1 1 5 5 THR CB C 13 66.290 0.400 . 1 . . . A 5 THR CB . 19713 1 65 . 1 1 5 5 THR CG2 C 13 18.514 0.400 . 1 . . . A 5 THR CG2 . 19713 1 66 . 1 1 5 5 THR N N 15 109.859 0.400 . 1 . . . A 5 THR N . 19713 1 67 . 1 1 6 6 SER H H 1 7.717 0.020 . 1 . . . A 6 SER H . 19713 1 68 . 1 1 6 6 SER HA H 1 5.353 0.020 . 1 . . . A 6 SER HA . 19713 1 69 . 1 1 6 6 SER HB2 H 1 3.492 0.020 . 2 . . . A 6 SER HB2 . 19713 1 70 . 1 1 6 6 SER CA C 13 56.774 0.400 . 1 . . . A 6 SER CA . 19713 1 71 . 1 1 6 6 SER CB C 13 64.813 0.400 . 1 . . . A 6 SER CB . 19713 1 72 . 1 1 6 6 SER N N 15 116.037 0.400 . 1 . . . A 6 SER N . 19713 1 73 . 1 1 7 7 PHE H H 1 8.928 0.020 . 1 . . . A 7 PHE H . 19713 1 74 . 1 1 7 7 PHE HA H 1 4.911 0.020 . 1 . . . A 7 PHE HA . 19713 1 75 . 1 1 7 7 PHE HB2 H 1 3.336 0.020 . 2 . . . A 7 PHE HB2 . 19713 1 76 . 1 1 7 7 PHE HB3 H 1 2.679 0.020 . 2 . . . A 7 PHE HB3 . 19713 1 77 . 1 1 7 7 PHE HD1 H 1 7.279 0.020 . 1 . . . A 7 PHE HD1 . 19713 1 78 . 1 1 7 7 PHE HD2 H 1 7.279 0.020 . 1 . . . A 7 PHE HD2 . 19713 1 79 . 1 1 7 7 PHE HE1 H 1 7.309 0.020 . 1 . . . A 7 PHE HE1 . 19713 1 80 . 1 1 7 7 PHE HE2 H 1 7.309 0.020 . 1 . . . A 7 PHE HE2 . 19713 1 81 . 1 1 7 7 PHE HZ H 1 7.044 0.020 . 1 . . . A 7 PHE HZ . 19713 1 82 . 1 1 7 7 PHE CA C 13 56.763 0.400 . 1 . . . A 7 PHE CA . 19713 1 83 . 1 1 7 7 PHE CB C 13 43.423 0.400 . 1 . . . A 7 PHE CB . 19713 1 84 . 1 1 7 7 PHE N N 15 121.810 0.400 . 1 . . . A 7 PHE N . 19713 1 85 . 1 1 8 8 ALA HA H 1 4.595 0.020 . 1 . . . A 8 ALA HA . 19713 1 86 . 1 1 8 8 ALA HB1 H 1 1.526 0.020 . 1 . . . A 8 ALA HB1 . 19713 1 87 . 1 1 8 8 ALA HB2 H 1 1.526 0.020 . 1 . . . A 8 ALA HB2 . 19713 1 88 . 1 1 8 8 ALA HB3 H 1 1.526 0.020 . 1 . . . A 8 ALA HB3 . 19713 1 89 . 1 1 8 8 ALA CA C 13 53.578 0.400 . 1 . . . A 8 ALA CA . 19713 1 90 . 1 1 8 8 ALA CB C 13 19.050 0.400 . 1 . . . A 8 ALA CB . 19713 1 91 . 1 1 9 9 ASN H H 1 8.133 0.020 . 1 . . . A 9 ASN H . 19713 1 92 . 1 1 9 9 ASN HA H 1 5.250 0.020 . 1 . . . A 9 ASN HA . 19713 1 93 . 1 1 9 9 ASN HB2 H 1 3.110 0.020 . 2 . . . A 9 ASN HB2 . 19713 1 94 . 1 1 9 9 ASN HB3 H 1 2.855 0.020 . 2 . . . A 9 ASN HB3 . 19713 1 95 . 1 1 9 9 ASN HD21 H 1 7.960 0.020 . 2 . . . A 9 ASN HD21 . 19713 1 96 . 1 1 9 9 ASN HD22 H 1 7.207 0.020 . 2 . . . A 9 ASN HD22 . 19713 1 97 . 1 1 9 9 ASN CA C 13 49.672 0.400 . 1 . . . A 9 ASN CA . 19713 1 98 . 1 1 9 9 ASN CB C 13 39.758 0.400 . 1 . . . A 9 ASN CB . 19713 1 99 . 1 1 9 9 ASN N N 15 116.543 0.400 . 1 . . . A 9 ASN N . 19713 1 100 . 1 1 9 9 ASN ND2 N 15 114.261 0.400 . 1 . . . A 9 ASN ND2 . 19713 1 101 . 1 1 10 10 PRO HA H 1 4.338 0.020 . 1 . . . A 10 PRO HA . 19713 1 102 . 1 1 10 10 PRO HB2 H 1 2.028 0.020 . 2 . . . A 10 PRO HB2 . 19713 1 103 . 1 1 10 10 PRO HB3 H 1 2.331 0.020 . 2 . . . A 10 PRO HB3 . 19713 1 104 . 1 1 10 10 PRO HG2 H 1 2.115 0.020 . 2 . . . A 10 PRO HG2 . 19713 1 105 . 1 1 10 10 PRO HG3 H 1 2.061 0.020 . 2 . . . A 10 PRO HG3 . 19713 1 106 . 1 1 10 10 PRO HD2 H 1 4.010 0.020 . 2 . . . A 10 PRO HD2 . 19713 1 107 . 1 1 10 10 PRO HD3 H 1 4.126 0.020 . 2 . . . A 10 PRO HD3 . 19713 1 108 . 1 1 10 10 PRO CA C 13 64.578 0.400 . 1 . . . A 10 PRO CA . 19713 1 109 . 1 1 10 10 PRO CB C 13 32.355 0.400 . 1 . . . A 10 PRO CB . 19713 1 110 . 1 1 10 10 PRO CG C 13 26.983 0.400 . 1 . . . A 10 PRO CG . 19713 1 111 . 1 1 10 10 PRO CD C 13 51.363 0.400 . 1 . . . A 10 PRO CD . 19713 1 112 . 1 1 11 11 ARG H H 1 8.091 0.020 . 1 . . . A 11 ARG H . 19713 1 113 . 1 1 11 11 ARG HA H 1 4.154 0.020 . 1 . . . A 11 ARG HA . 19713 1 114 . 1 1 11 11 ARG HB2 H 1 1.952 0.020 . 2 . . . A 11 ARG HB2 . 19713 1 115 . 1 1 11 11 ARG HG2 H 1 1.757 0.020 . 2 . . . A 11 ARG HG2 . 19713 1 116 . 1 1 11 11 ARG HG3 H 1 1.676 0.020 . 2 . . . A 11 ARG HG3 . 19713 1 117 . 1 1 11 11 ARG HD2 H 1 3.244 0.020 . 2 . . . A 11 ARG HD2 . 19713 1 118 . 1 1 11 11 ARG CA C 13 58.851 0.400 . 1 . . . A 11 ARG CA . 19713 1 119 . 1 1 11 11 ARG CB C 13 29.603 0.400 . 1 . . . A 11 ARG CB . 19713 1 120 . 1 1 11 11 ARG CG C 13 27.331 0.400 . 1 . . . A 11 ARG CG . 19713 1 121 . 1 1 11 11 ARG CD C 13 42.864 0.400 . 1 . . . A 11 ARG CD . 19713 1 122 . 1 1 11 11 ARG N N 15 118.730 0.400 . 1 . . . A 11 ARG N . 19713 1 123 . 1 1 12 12 VAL H H 1 7.235 0.020 . 1 . . . A 12 VAL H . 19713 1 124 . 1 1 12 12 VAL HA H 1 3.635 0.020 . 1 . . . A 12 VAL HA . 19713 1 125 . 1 1 12 12 VAL HB H 1 2.025 0.020 . 1 . . . A 12 VAL HB . 19713 1 126 . 1 1 12 12 VAL HG11 H 1 0.793 0.020 . 2 . . . A 12 VAL HG11 . 19713 1 127 . 1 1 12 12 VAL HG12 H 1 0.793 0.020 . 2 . . . A 12 VAL HG12 . 19713 1 128 . 1 1 12 12 VAL HG13 H 1 0.793 0.020 . 2 . . . A 12 VAL HG13 . 19713 1 129 . 1 1 12 12 VAL HG21 H 1 0.966 0.020 . 2 . . . A 12 VAL HG21 . 19713 1 130 . 1 1 12 12 VAL HG22 H 1 0.966 0.020 . 2 . . . A 12 VAL HG22 . 19713 1 131 . 1 1 12 12 VAL HG23 H 1 0.966 0.020 . 2 . . . A 12 VAL HG23 . 19713 1 132 . 1 1 12 12 VAL CA C 13 65.532 0.400 . 1 . . . A 12 VAL CA . 19713 1 133 . 1 1 12 12 VAL CB C 13 31.762 0.400 . 1 . . . A 12 VAL CB . 19713 1 134 . 1 1 12 12 VAL CG1 C 13 21.704 0.400 . 1 . . . A 12 VAL CG1 . 19713 1 135 . 1 1 12 12 VAL CG2 C 13 22.300 0.400 . 1 . . . A 12 VAL CG2 . 19713 1 136 . 1 1 12 12 VAL N N 15 122.396 0.400 . 1 . . . A 12 VAL N . 19713 1 137 . 1 1 13 13 ALA H H 1 6.857 0.020 . 1 . . . A 13 ALA H . 19713 1 138 . 1 1 13 13 ALA HA H 1 3.124 0.020 . 1 . . . A 13 ALA HA . 19713 1 139 . 1 1 13 13 ALA HB1 H 1 1.349 0.020 . 1 . . . A 13 ALA HB1 . 19713 1 140 . 1 1 13 13 ALA HB2 H 1 1.349 0.020 . 1 . . . A 13 ALA HB2 . 19713 1 141 . 1 1 13 13 ALA HB3 H 1 1.349 0.020 . 1 . . . A 13 ALA HB3 . 19713 1 142 . 1 1 13 13 ALA CA C 13 54.715 0.400 . 1 . . . A 13 ALA CA . 19713 1 143 . 1 1 13 13 ALA CB C 13 18.757 0.400 . 1 . . . A 13 ALA CB . 19713 1 144 . 1 1 13 13 ALA N N 15 119.674 0.400 . 1 . . . A 13 ALA N . 19713 1 145 . 1 1 14 14 GLN H H 1 7.800 0.020 . 1 . . . A 14 GLN H . 19713 1 146 . 1 1 14 14 GLN HA H 1 3.683 0.020 . 1 . . . A 14 GLN HA . 19713 1 147 . 1 1 14 14 GLN HB3 H 1 2.142 0.020 . 2 . . . A 14 GLN HB3 . 19713 1 148 . 1 1 14 14 GLN HG2 H 1 2.357 0.020 . 2 . . . A 14 GLN HG2 . 19713 1 149 . 1 1 14 14 GLN HE21 H 1 7.883 0.020 . 2 . . . A 14 GLN HE21 . 19713 1 150 . 1 1 14 14 GLN HE22 H 1 6.850 0.020 . 2 . . . A 14 GLN HE22 . 19713 1 151 . 1 1 14 14 GLN CA C 13 57.788 0.400 . 1 . . . A 14 GLN CA . 19713 1 152 . 1 1 14 14 GLN CB C 13 28.407 0.400 . 1 . . . A 14 GLN CB . 19713 1 153 . 1 1 14 14 GLN CG C 13 33.314 0.400 . 1 . . . A 14 GLN CG . 19713 1 154 . 1 1 14 14 GLN N N 15 115.202 0.400 . 1 . . . A 14 GLN N . 19713 1 155 . 1 1 14 14 GLN NE2 N 15 115.580 0.400 . 1 . . . A 14 GLN NE2 . 19713 1 156 . 1 1 15 15 ALA H H 1 7.882 0.020 . 1 . . . A 15 ALA H . 19713 1 157 . 1 1 15 15 ALA HA H 1 4.297 0.020 . 1 . . . A 15 ALA HA . 19713 1 158 . 1 1 15 15 ALA HB1 H 1 1.718 0.020 . 1 . . . A 15 ALA HB1 . 19713 1 159 . 1 1 15 15 ALA HB2 H 1 1.718 0.020 . 1 . . . A 15 ALA HB2 . 19713 1 160 . 1 1 15 15 ALA HB3 H 1 1.718 0.020 . 1 . . . A 15 ALA HB3 . 19713 1 161 . 1 1 15 15 ALA CA C 13 54.990 0.400 . 1 . . . A 15 ALA CA . 19713 1 162 . 1 1 15 15 ALA CB C 13 17.736 0.400 . 1 . . . A 15 ALA CB . 19713 1 163 . 1 1 15 15 ALA N N 15 121.416 0.400 . 1 . . . A 15 ALA N . 19713 1 164 . 1 1 16 16 PHE H H 1 8.150 0.020 . 1 . . . A 16 PHE H . 19713 1 165 . 1 1 16 16 PHE HA H 1 3.612 0.020 . 1 . . . A 16 PHE HA . 19713 1 166 . 1 1 16 16 PHE HB2 H 1 2.585 0.020 . 2 . . . A 16 PHE HB2 . 19713 1 167 . 1 1 16 16 PHE HB3 H 1 2.338 0.020 . 2 . . . A 16 PHE HB3 . 19713 1 168 . 1 1 16 16 PHE HD1 H 1 6.415 0.020 . 1 . . . A 16 PHE HD1 . 19713 1 169 . 1 1 16 16 PHE HD2 H 1 6.415 0.020 . 1 . . . A 16 PHE HD2 . 19713 1 170 . 1 1 16 16 PHE HE1 H 1 6.520 0.020 . 1 . . . A 16 PHE HE1 . 19713 1 171 . 1 1 16 16 PHE HE2 H 1 6.520 0.020 . 1 . . . A 16 PHE HE2 . 19713 1 172 . 1 1 16 16 PHE HZ H 1 6.958 0.020 . 1 . . . A 16 PHE HZ . 19713 1 173 . 1 1 16 16 PHE CA C 13 61.141 0.400 . 1 . . . A 16 PHE CA . 19713 1 174 . 1 1 16 16 PHE CB C 13 38.658 0.400 . 1 . . . A 16 PHE CB . 19713 1 175 . 1 1 16 16 PHE N N 15 120.765 0.400 . 1 . . . A 16 PHE N . 19713 1 176 . 1 1 17 17 VAL H H 1 8.193 0.020 . 1 . . . A 17 VAL H . 19713 1 177 . 1 1 17 17 VAL HA H 1 3.211 0.020 . 1 . . . A 17 VAL HA . 19713 1 178 . 1 1 17 17 VAL HB H 1 2.224 0.020 . 1 . . . A 17 VAL HB . 19713 1 179 . 1 1 17 17 VAL HG11 H 1 1.017 0.020 . 2 . . . A 17 VAL HG11 . 19713 1 180 . 1 1 17 17 VAL HG12 H 1 1.017 0.020 . 2 . . . A 17 VAL HG12 . 19713 1 181 . 1 1 17 17 VAL HG13 H 1 1.017 0.020 . 2 . . . A 17 VAL HG13 . 19713 1 182 . 1 1 17 17 VAL HG21 H 1 0.980 0.020 . 2 . . . A 17 VAL HG21 . 19713 1 183 . 1 1 17 17 VAL HG22 H 1 0.980 0.020 . 2 . . . A 17 VAL HG22 . 19713 1 184 . 1 1 17 17 VAL HG23 H 1 0.980 0.020 . 2 . . . A 17 VAL HG23 . 19713 1 185 . 1 1 17 17 VAL CA C 13 67.635 0.400 . 1 . . . A 17 VAL CA . 19713 1 186 . 1 1 17 17 VAL CB C 13 31.503 0.400 . 1 . . . A 17 VAL CB . 19713 1 187 . 1 1 17 17 VAL CG1 C 13 23.528 0.400 . 1 . . . A 17 VAL CG1 . 19713 1 188 . 1 1 17 17 VAL CG2 C 13 21.121 0.400 . 1 . . . A 17 VAL CG2 . 19713 1 189 . 1 1 17 17 VAL N N 15 120.622 0.400 . 1 . . . A 17 VAL N . 19713 1 190 . 1 1 18 18 ASP H H 1 9.093 0.020 . 1 . . . A 18 ASP H . 19713 1 191 . 1 1 18 18 ASP HA H 1 4.393 0.020 . 1 . . . A 18 ASP HA . 19713 1 192 . 1 1 18 18 ASP HB2 H 1 2.803 0.020 . 2 . . . A 18 ASP HB2 . 19713 1 193 . 1 1 18 18 ASP HB3 H 1 2.692 0.020 . 2 . . . A 18 ASP HB3 . 19713 1 194 . 1 1 18 18 ASP CA C 13 57.549 0.400 . 1 . . . A 18 ASP CA . 19713 1 195 . 1 1 18 18 ASP CB C 13 39.822 0.400 . 1 . . . A 18 ASP CB . 19713 1 196 . 1 1 18 18 ASP N N 15 123.142 0.400 . 1 . . . A 18 ASP N . 19713 1 197 . 1 1 19 19 TYR H H 1 8.142 0.020 . 1 . . . A 19 TYR H . 19713 1 198 . 1 1 19 19 TYR HA H 1 4.389 0.020 . 1 . . . A 19 TYR HA . 19713 1 199 . 1 1 19 19 TYR HB2 H 1 3.376 0.020 . 2 . . . A 19 TYR HB2 . 19713 1 200 . 1 1 19 19 TYR HB3 H 1 2.933 0.020 . 2 . . . A 19 TYR HB3 . 19713 1 201 . 1 1 19 19 TYR HD1 H 1 6.961 0.020 . 1 . . . A 19 TYR HD1 . 19713 1 202 . 1 1 19 19 TYR HD2 H 1 6.961 0.020 . 1 . . . A 19 TYR HD2 . 19713 1 203 . 1 1 19 19 TYR HE1 H 1 6.937 0.020 . 1 . . . A 19 TYR HE1 . 19713 1 204 . 1 1 19 19 TYR HE2 H 1 6.937 0.020 . 1 . . . A 19 TYR HE2 . 19713 1 205 . 1 1 19 19 TYR CA C 13 60.794 0.400 . 1 . . . A 19 TYR CA . 19713 1 206 . 1 1 19 19 TYR CB C 13 37.987 0.400 . 1 . . . A 19 TYR CB . 19713 1 207 . 1 1 19 19 TYR N N 15 122.100 0.400 . 1 . . . A 19 TYR N . 19713 1 208 . 1 1 20 20 MET H H 1 8.421 0.020 . 1 . . . A 20 MET H . 19713 1 209 . 1 1 20 20 MET HA H 1 3.987 0.020 . 1 . . . A 20 MET HA . 19713 1 210 . 1 1 20 20 MET HB2 H 1 1.681 0.020 . 2 . . . A 20 MET HB2 . 19713 1 211 . 1 1 20 20 MET HG2 H 1 1.828 0.020 . 2 . . . A 20 MET HG2 . 19713 1 212 . 1 1 20 20 MET HG3 H 1 1.538 0.020 . 2 . . . A 20 MET HG3 . 19713 1 213 . 1 1 20 20 MET HE1 H 1 1.765 0.020 . 1 . . . A 20 MET HE1 . 19713 1 214 . 1 1 20 20 MET HE2 H 1 1.765 0.020 . 1 . . . A 20 MET HE2 . 19713 1 215 . 1 1 20 20 MET HE3 H 1 1.765 0.020 . 1 . . . A 20 MET HE3 . 19713 1 216 . 1 1 20 20 MET CA C 13 56.147 0.400 . 1 . . . A 20 MET CA . 19713 1 217 . 1 1 20 20 MET CB C 13 28.818 0.400 . 1 . . . A 20 MET CB . 19713 1 218 . 1 1 20 20 MET CG C 13 31.756 0.400 . 1 . . . A 20 MET CG . 19713 1 219 . 1 1 20 20 MET CE C 13 15.559 0.400 . 1 . . . A 20 MET CE . 19713 1 220 . 1 1 20 20 MET N N 15 119.265 0.400 . 1 . . . A 20 MET N . 19713 1 221 . 1 1 21 21 ALA H H 1 8.107 0.020 . 1 . . . A 21 ALA H . 19713 1 222 . 1 1 21 21 ALA HA H 1 4.095 0.020 . 1 . . . A 21 ALA HA . 19713 1 223 . 1 1 21 21 ALA HB1 H 1 1.589 0.020 . 1 . . . A 21 ALA HB1 . 19713 1 224 . 1 1 21 21 ALA HB2 H 1 1.589 0.020 . 1 . . . A 21 ALA HB2 . 19713 1 225 . 1 1 21 21 ALA HB3 H 1 1.589 0.020 . 1 . . . A 21 ALA HB3 . 19713 1 226 . 1 1 21 21 ALA CA C 13 55.540 0.400 . 1 . . . A 21 ALA CA . 19713 1 227 . 1 1 21 21 ALA CB C 13 17.316 0.400 . 1 . . . A 21 ALA CB . 19713 1 228 . 1 1 21 21 ALA N N 15 124.076 0.400 . 1 . . . A 21 ALA N . 19713 1 229 . 1 1 22 22 THR H H 1 7.590 0.020 . 1 . . . A 22 THR H . 19713 1 230 . 1 1 22 22 THR HA H 1 4.236 0.020 . 1 . . . A 22 THR HA . 19713 1 231 . 1 1 22 22 THR HB H 1 4.317 0.020 . 1 . . . A 22 THR HB . 19713 1 232 . 1 1 22 22 THR HG21 H 1 1.438 0.020 . 1 . . . A 22 THR HG21 . 19713 1 233 . 1 1 22 22 THR HG22 H 1 1.438 0.020 . 1 . . . A 22 THR HG22 . 19713 1 234 . 1 1 22 22 THR HG23 H 1 1.438 0.020 . 1 . . . A 22 THR HG23 . 19713 1 235 . 1 1 22 22 THR CA C 13 64.631 0.400 . 1 . . . A 22 THR CA . 19713 1 236 . 1 1 22 22 THR CB C 13 69.311 0.400 . 1 . . . A 22 THR CB . 19713 1 237 . 1 1 22 22 THR CG2 C 13 21.487 0.400 . 1 . . . A 22 THR CG2 . 19713 1 238 . 1 1 22 22 THR N N 15 111.538 0.400 . 1 . . . A 22 THR N . 19713 1 239 . 1 1 23 23 GLN H H 1 7.219 0.020 . 1 . . . A 23 GLN H . 19713 1 240 . 1 1 23 23 GLN HA H 1 4.361 0.020 . 1 . . . A 23 GLN HA . 19713 1 241 . 1 1 23 23 GLN HB2 H 1 2.306 0.020 . 2 . . . A 23 GLN HB2 . 19713 1 242 . 1 1 23 23 GLN HB3 H 1 1.796 0.020 . 2 . . . A 23 GLN HB3 . 19713 1 243 . 1 1 23 23 GLN HG3 H 1 1.873 0.020 . 2 . . . A 23 GLN HG3 . 19713 1 244 . 1 1 23 23 GLN HE21 H 1 6.482 0.020 . 2 . . . A 23 GLN HE21 . 19713 1 245 . 1 1 23 23 GLN HE22 H 1 6.825 0.020 . 2 . . . A 23 GLN HE22 . 19713 1 246 . 1 1 23 23 GLN CA C 13 53.733 0.400 . 1 . . . A 23 GLN CA . 19713 1 247 . 1 1 23 23 GLN CB C 13 28.847 0.400 . 1 . . . A 23 GLN CB . 19713 1 248 . 1 1 23 23 GLN CG C 13 33.217 0.400 . 1 . . . A 23 GLN CG . 19713 1 249 . 1 1 23 23 GLN N N 15 118.055 0.400 . 1 . . . A 23 GLN N . 19713 1 250 . 1 1 23 23 GLN NE2 N 15 113.013 0.400 . 1 . . . A 23 GLN NE2 . 19713 1 251 . 1 1 24 24 GLY H H 1 7.641 0.020 . 1 . . . A 24 GLY H . 19713 1 252 . 1 1 24 24 GLY HA2 H 1 4.139 0.020 . 2 . . . A 24 GLY HA2 . 19713 1 253 . 1 1 24 24 GLY HA3 H 1 3.693 0.020 . 2 . . . A 24 GLY HA3 . 19713 1 254 . 1 1 24 24 GLY CA C 13 45.484 0.400 . 1 . . . A 24 GLY CA . 19713 1 255 . 1 1 24 24 GLY N N 15 106.367 0.400 . 1 . . . A 24 GLY N . 19713 1 256 . 1 1 25 25 VAL H H 1 7.664 0.020 . 1 . . . A 25 VAL H . 19713 1 257 . 1 1 25 25 VAL HA H 1 4.262 0.020 . 1 . . . A 25 VAL HA . 19713 1 258 . 1 1 25 25 VAL HB H 1 1.561 0.020 . 1 . . . A 25 VAL HB . 19713 1 259 . 1 1 25 25 VAL HG11 H 1 0.654 0.020 . 2 . . . A 25 VAL HG11 . 19713 1 260 . 1 1 25 25 VAL HG12 H 1 0.654 0.020 . 2 . . . A 25 VAL HG12 . 19713 1 261 . 1 1 25 25 VAL HG13 H 1 0.654 0.020 . 2 . . . A 25 VAL HG13 . 19713 1 262 . 1 1 25 25 VAL HG21 H 1 0.673 0.020 . 2 . . . A 25 VAL HG21 . 19713 1 263 . 1 1 25 25 VAL HG22 H 1 0.673 0.020 . 2 . . . A 25 VAL HG22 . 19713 1 264 . 1 1 25 25 VAL HG23 H 1 0.673 0.020 . 2 . . . A 25 VAL HG23 . 19713 1 265 . 1 1 25 25 VAL CA C 13 60.880 0.400 . 1 . . . A 25 VAL CA . 19713 1 266 . 1 1 25 25 VAL CB C 13 33.830 0.400 . 1 . . . A 25 VAL CB . 19713 1 267 . 1 1 25 25 VAL CG1 C 13 20.301 0.400 . 1 . . . A 25 VAL CG1 . 19713 1 268 . 1 1 25 25 VAL CG2 C 13 20.928 0.400 . 1 . . . A 25 VAL CG2 . 19713 1 269 . 1 1 25 25 VAL N N 15 120.869 0.400 . 1 . . . A 25 VAL N . 19713 1 270 . 1 1 26 26 ILE H H 1 9.003 0.020 . 1 . . . A 26 ILE H . 19713 1 271 . 1 1 26 26 ILE HA H 1 3.923 0.020 . 1 . . . A 26 ILE HA . 19713 1 272 . 1 1 26 26 ILE HB H 1 1.932 0.020 . 1 . . . A 26 ILE HB . 19713 1 273 . 1 1 26 26 ILE HG12 H 1 1.458 0.020 . 2 . . . A 26 ILE HG12 . 19713 1 274 . 1 1 26 26 ILE HG13 H 1 1.318 0.020 . 2 . . . A 26 ILE HG13 . 19713 1 275 . 1 1 26 26 ILE HG21 H 1 0.840 0.020 . 1 . . . A 26 ILE HG21 . 19713 1 276 . 1 1 26 26 ILE HG22 H 1 0.840 0.020 . 1 . . . A 26 ILE HG22 . 19713 1 277 . 1 1 26 26 ILE HG23 H 1 0.840 0.020 . 1 . . . A 26 ILE HG23 . 19713 1 278 . 1 1 26 26 ILE HD11 H 1 0.761 0.020 . 1 . . . A 26 ILE HD11 . 19713 1 279 . 1 1 26 26 ILE HD12 H 1 0.761 0.020 . 1 . . . A 26 ILE HD12 . 19713 1 280 . 1 1 26 26 ILE HD13 H 1 0.761 0.020 . 1 . . . A 26 ILE HD13 . 19713 1 281 . 1 1 26 26 ILE CA C 13 59.995 0.400 . 1 . . . A 26 ILE CA . 19713 1 282 . 1 1 26 26 ILE CB C 13 36.936 0.400 . 1 . . . A 26 ILE CB . 19713 1 283 . 1 1 26 26 ILE CG1 C 13 26.859 0.400 . 1 . . . A 26 ILE CG1 . 19713 1 284 . 1 1 26 26 ILE CG2 C 13 17.209 0.400 . 1 . . . A 26 ILE CG2 . 19713 1 285 . 1 1 26 26 ILE CD1 C 13 10.703 0.400 . 1 . . . A 26 ILE CD1 . 19713 1 286 . 1 1 26 26 ILE N N 15 128.372 0.400 . 1 . . . A 26 ILE N . 19713 1 287 . 1 1 27 27 LEU H H 1 8.291 0.020 . 1 . . . A 27 LEU H . 19713 1 288 . 1 1 27 27 LEU HA H 1 5.214 0.020 . 1 . . . A 27 LEU HA . 19713 1 289 . 1 1 27 27 LEU HB2 H 1 1.552 0.020 . 2 . . . A 27 LEU HB2 . 19713 1 290 . 1 1 27 27 LEU HB3 H 1 1.762 0.020 . 2 . . . A 27 LEU HB3 . 19713 1 291 . 1 1 27 27 LEU HG H 1 1.569 0.020 . 1 . . . A 27 LEU HG . 19713 1 292 . 1 1 27 27 LEU HD11 H 1 0.663 0.020 . 2 . . . A 27 LEU HD11 . 19713 1 293 . 1 1 27 27 LEU HD12 H 1 0.663 0.020 . 2 . . . A 27 LEU HD12 . 19713 1 294 . 1 1 27 27 LEU HD13 H 1 0.663 0.020 . 2 . . . A 27 LEU HD13 . 19713 1 295 . 1 1 27 27 LEU HD21 H 1 0.924 0.020 . 2 . . . A 27 LEU HD21 . 19713 1 296 . 1 1 27 27 LEU HD22 H 1 0.924 0.020 . 2 . . . A 27 LEU HD22 . 19713 1 297 . 1 1 27 27 LEU HD23 H 1 0.924 0.020 . 2 . . . A 27 LEU HD23 . 19713 1 298 . 1 1 27 27 LEU CA C 13 53.023 0.400 . 1 . . . A 27 LEU CA . 19713 1 299 . 1 1 27 27 LEU CB C 13 44.804 0.400 . 1 . . . A 27 LEU CB . 19713 1 300 . 1 1 27 27 LEU CG C 13 27.162 0.400 . 1 . . . A 27 LEU CG . 19713 1 301 . 1 1 27 27 LEU CD1 C 13 28.098 0.400 . 1 . . . A 27 LEU CD1 . 19713 1 302 . 1 1 27 27 LEU CD2 C 13 25.980 0.400 . 1 . . . A 27 LEU CD2 . 19713 1 303 . 1 1 27 27 LEU N N 15 130.068 0.400 . 1 . . . A 27 LEU N . 19713 1 304 . 1 1 28 28 THR H H 1 8.948 0.020 . 1 . . . A 28 THR H . 19713 1 305 . 1 1 28 28 THR HA H 1 4.763 0.020 . 1 . . . A 28 THR HA . 19713 1 306 . 1 1 28 28 THR HB H 1 4.138 0.020 . 1 . . . A 28 THR HB . 19713 1 307 . 1 1 28 28 THR HG21 H 1 1.152 0.020 . 1 . . . A 28 THR HG21 . 19713 1 308 . 1 1 28 28 THR HG22 H 1 1.152 0.020 . 1 . . . A 28 THR HG22 . 19713 1 309 . 1 1 28 28 THR HG23 H 1 1.152 0.020 . 1 . . . A 28 THR HG23 . 19713 1 310 . 1 1 28 28 THR CA C 13 60.132 0.400 . 1 . . . A 28 THR CA . 19713 1 311 . 1 1 28 28 THR CB C 13 71.760 0.400 . 1 . . . A 28 THR CB . 19713 1 312 . 1 1 28 28 THR CG2 C 13 21.803 0.400 . 1 . . . A 28 THR CG2 . 19713 1 313 . 1 1 28 28 THR N N 15 111.171 0.400 . 1 . . . A 28 THR N . 19713 1 314 . 1 1 29 29 ILE H H 1 8.713 0.020 . 1 . . . A 29 ILE H . 19713 1 315 . 1 1 29 29 ILE HA H 1 5.310 0.020 . 1 . . . A 29 ILE HA . 19713 1 316 . 1 1 29 29 ILE HB H 1 1.730 0.020 . 1 . . . A 29 ILE HB . 19713 1 317 . 1 1 29 29 ILE HG12 H 1 0.804 0.020 . 2 . . . A 29 ILE HG12 . 19713 1 318 . 1 1 29 29 ILE HG13 H 1 1.675 0.020 . 2 . . . A 29 ILE HG13 . 19713 1 319 . 1 1 29 29 ILE HG21 H 1 0.921 0.020 . 1 . . . A 29 ILE HG21 . 19713 1 320 . 1 1 29 29 ILE HG22 H 1 0.921 0.020 . 1 . . . A 29 ILE HG22 . 19713 1 321 . 1 1 29 29 ILE HG23 H 1 0.921 0.020 . 1 . . . A 29 ILE HG23 . 19713 1 322 . 1 1 29 29 ILE HD11 H 1 0.808 0.020 . 1 . . . A 29 ILE HD11 . 19713 1 323 . 1 1 29 29 ILE HD12 H 1 0.808 0.020 . 1 . . . A 29 ILE HD12 . 19713 1 324 . 1 1 29 29 ILE HD13 H 1 0.808 0.020 . 1 . . . A 29 ILE HD13 . 19713 1 325 . 1 1 29 29 ILE CA C 13 59.908 0.400 . 1 . . . A 29 ILE CA . 19713 1 326 . 1 1 29 29 ILE CB C 13 40.768 0.400 . 1 . . . A 29 ILE CB . 19713 1 327 . 1 1 29 29 ILE CG1 C 13 29.315 0.400 . 1 . . . A 29 ILE CG1 . 19713 1 328 . 1 1 29 29 ILE CG2 C 13 18.199 0.400 . 1 . . . A 29 ILE CG2 . 19713 1 329 . 1 1 29 29 ILE CD1 C 13 13.365 0.400 . 1 . . . A 29 ILE CD1 . 19713 1 330 . 1 1 29 29 ILE N N 15 121.390 0.400 . 1 . . . A 29 ILE N . 19713 1 331 . 1 1 30 30 GLN H H 1 9.518 0.020 . 1 . . . A 30 GLN H . 19713 1 332 . 1 1 30 30 GLN HA H 1 4.772 0.020 . 1 . . . A 30 GLN HA . 19713 1 333 . 1 1 30 30 GLN HB2 H 1 2.325 0.020 . 2 . . . A 30 GLN HB2 . 19713 1 334 . 1 1 30 30 GLN HB3 H 1 2.095 0.020 . 2 . . . A 30 GLN HB3 . 19713 1 335 . 1 1 30 30 GLN HG3 H 1 2.237 0.020 . 2 . . . A 30 GLN HG3 . 19713 1 336 . 1 1 30 30 GLN HE21 H 1 6.966 0.020 . 2 . . . A 30 GLN HE21 . 19713 1 337 . 1 1 30 30 GLN HE22 H 1 6.403 0.020 . 2 . . . A 30 GLN HE22 . 19713 1 338 . 1 1 30 30 GLN CA C 13 54.629 0.400 . 1 . . . A 30 GLN CA . 19713 1 339 . 1 1 30 30 GLN CB C 13 31.309 0.400 . 1 . . . A 30 GLN CB . 19713 1 340 . 1 1 30 30 GLN CG C 13 33.594 0.400 . 1 . . . A 30 GLN CG . 19713 1 341 . 1 1 30 30 GLN N N 15 127.776 0.400 . 1 . . . A 30 GLN N . 19713 1 342 . 1 1 30 30 GLN NE2 N 15 110.440 0.400 . 1 . . . A 30 GLN NE2 . 19713 1 343 . 1 1 31 31 GLN H H 1 9.029 0.020 . 1 . . . A 31 GLN H . 19713 1 344 . 1 1 31 31 GLN HA H 1 5.263 0.020 . 1 . . . A 31 GLN HA . 19713 1 345 . 1 1 31 31 GLN HB2 H 1 1.992 0.020 . 2 . . . A 31 GLN HB2 . 19713 1 346 . 1 1 31 31 GLN HB3 H 1 2.103 0.020 . 2 . . . A 31 GLN HB3 . 19713 1 347 . 1 1 31 31 GLN HG2 H 1 2.422 0.020 . 2 . . . A 31 GLN HG2 . 19713 1 348 . 1 1 31 31 GLN HG3 H 1 2.351 0.020 . 2 . . . A 31 GLN HG3 . 19713 1 349 . 1 1 31 31 GLN HE21 H 1 7.577 0.020 . 2 . . . A 31 GLN HE21 . 19713 1 350 . 1 1 31 31 GLN HE22 H 1 6.918 0.020 . 2 . . . A 31 GLN HE22 . 19713 1 351 . 1 1 31 31 GLN CA C 13 55.010 0.400 . 1 . . . A 31 GLN CA . 19713 1 352 . 1 1 31 31 GLN CB C 13 30.396 0.400 . 1 . . . A 31 GLN CB . 19713 1 353 . 1 1 31 31 GLN CG C 13 34.000 0.400 . 1 . . . A 31 GLN CG . 19713 1 354 . 1 1 31 31 GLN N N 15 125.893 0.400 . 1 . . . A 31 GLN N . 19713 1 355 . 1 1 31 31 GLN NE2 N 15 111.959 0.400 . 1 . . . A 31 GLN NE2 . 19713 1 356 . 1 1 32 32 HIS H H 1 8.912 0.020 . 1 . . . A 32 HIS H . 19713 1 357 . 1 1 32 32 HIS HA H 1 4.966 0.020 . 1 . . . A 32 HIS HA . 19713 1 358 . 1 1 32 32 HIS HB2 H 1 3.260 0.020 . 2 . . . A 32 HIS HB2 . 19713 1 359 . 1 1 32 32 HIS HB3 H 1 3.374 0.020 . 2 . . . A 32 HIS HB3 . 19713 1 360 . 1 1 32 32 HIS HD2 H 1 7.126 0.020 . 1 . . . A 32 HIS HD2 . 19713 1 361 . 1 1 32 32 HIS HE1 H 1 8.681 0.020 . 1 . . . A 32 HIS HE1 . 19713 1 362 . 1 1 32 32 HIS CA C 13 54.514 0.400 . 1 . . . A 32 HIS CA . 19713 1 363 . 1 1 32 32 HIS CB C 13 30.661 0.400 . 1 . . . A 32 HIS CB . 19713 1 364 . 1 1 32 32 HIS N N 15 121.451 0.400 . 1 . . . A 32 HIS N . 19713 1 365 . 1 1 33 33 ASN H H 1 8.940 0.020 . 1 . . . A 33 ASN H . 19713 1 366 . 1 1 33 33 ASN HA H 1 5.200 0.020 . 1 . . . A 33 ASN HA . 19713 1 367 . 1 1 33 33 ASN HB2 H 1 2.748 0.020 . 2 . . . A 33 ASN HB2 . 19713 1 368 . 1 1 33 33 ASN HD21 H 1 7.436 0.020 . 2 . . . A 33 ASN HD21 . 19713 1 369 . 1 1 33 33 ASN HD22 H 1 6.940 0.020 . 2 . . . A 33 ASN HD22 . 19713 1 370 . 1 1 33 33 ASN CA C 13 53.106 0.400 . 1 . . . A 33 ASN CA . 19713 1 371 . 1 1 33 33 ASN CB C 13 40.448 0.400 . 1 . . . A 33 ASN CB . 19713 1 372 . 1 1 33 33 ASN N N 15 121.954 0.400 . 1 . . . A 33 ASN N . 19713 1 373 . 1 1 33 33 ASN ND2 N 15 112.268 0.400 . 1 . . . A 33 ASN ND2 . 19713 1 374 . 1 1 34 34 GLN H H 1 8.648 0.020 . 1 . . . A 34 GLN H . 19713 1 375 . 1 1 34 34 GLN HA H 1 4.619 0.020 . 1 . . . A 34 GLN HA . 19713 1 376 . 1 1 34 34 GLN HB2 H 1 1.687 0.020 . 2 . . . A 34 GLN HB2 . 19713 1 377 . 1 1 34 34 GLN HG2 H 1 2.163 0.020 . 2 . . . A 34 GLN HG2 . 19713 1 378 . 1 1 34 34 GLN HE21 H 1 8.257 0.020 . 2 . . . A 34 GLN HE21 . 19713 1 379 . 1 1 34 34 GLN HE22 H 1 6.621 0.020 . 2 . . . A 34 GLN HE22 . 19713 1 380 . 1 1 34 34 GLN CA C 13 55.582 0.400 . 1 . . . A 34 GLN CA . 19713 1 381 . 1 1 34 34 GLN CB C 13 32.175 0.400 . 1 . . . A 34 GLN CB . 19713 1 382 . 1 1 34 34 GLN CG C 13 33.385 0.400 . 1 . . . A 34 GLN CG . 19713 1 383 . 1 1 34 34 GLN N N 15 123.175 0.400 . 1 . . . A 34 GLN N . 19713 1 384 . 1 1 34 34 GLN NE2 N 15 111.783 0.400 . 1 . . . A 34 GLN NE2 . 19713 1 385 . 1 1 35 35 SER H H 1 8.744 0.020 . 1 . . . A 35 SER H . 19713 1 386 . 1 1 35 35 SER HA H 1 4.784 0.020 . 1 . . . A 35 SER HA . 19713 1 387 . 1 1 35 35 SER HB2 H 1 3.870 0.020 . 2 . . . A 35 SER HB2 . 19713 1 388 . 1 1 35 35 SER HB3 H 1 3.629 0.020 . 2 . . . A 35 SER HB3 . 19713 1 389 . 1 1 35 35 SER CA C 13 57.693 0.400 . 1 . . . A 35 SER CA . 19713 1 390 . 1 1 35 35 SER CB C 13 64.218 0.400 . 1 . . . A 35 SER CB . 19713 1 391 . 1 1 35 35 SER N N 15 118.568 0.400 . 1 . . . A 35 SER N . 19713 1 392 . 1 1 36 36 ASP H H 1 8.909 0.020 . 1 . . . A 36 ASP H . 19713 1 393 . 1 1 36 36 ASP HA H 1 4.987 0.020 . 1 . . . A 36 ASP HA . 19713 1 394 . 1 1 36 36 ASP HB2 H 1 3.250 0.020 . 2 . . . A 36 ASP HB2 . 19713 1 395 . 1 1 36 36 ASP HB3 H 1 2.695 0.020 . 2 . . . A 36 ASP HB3 . 19713 1 396 . 1 1 36 36 ASP CA C 13 54.132 0.400 . 1 . . . A 36 ASP CA . 19713 1 397 . 1 1 36 36 ASP CB C 13 41.904 0.400 . 1 . . . A 36 ASP CB . 19713 1 398 . 1 1 36 36 ASP N N 15 127.988 0.400 . 1 . . . A 36 ASP N . 19713 1 399 . 1 1 37 37 VAL H H 1 8.691 0.020 . 1 . . . A 37 VAL H . 19713 1 400 . 1 1 37 37 VAL HA H 1 4.977 0.020 . 1 . . . A 37 VAL HA . 19713 1 401 . 1 1 37 37 VAL HB H 1 1.950 0.020 . 1 . . . A 37 VAL HB . 19713 1 402 . 1 1 37 37 VAL HG11 H 1 1.128 0.020 . 2 . . . A 37 VAL HG11 . 19713 1 403 . 1 1 37 37 VAL HG12 H 1 1.128 0.020 . 2 . . . A 37 VAL HG12 . 19713 1 404 . 1 1 37 37 VAL HG13 H 1 1.128 0.020 . 2 . . . A 37 VAL HG13 . 19713 1 405 . 1 1 37 37 VAL HG21 H 1 1.044 0.020 . 2 . . . A 37 VAL HG21 . 19713 1 406 . 1 1 37 37 VAL HG22 H 1 1.044 0.020 . 2 . . . A 37 VAL HG22 . 19713 1 407 . 1 1 37 37 VAL HG23 H 1 1.044 0.020 . 2 . . . A 37 VAL HG23 . 19713 1 408 . 1 1 37 37 VAL CA C 13 61.821 0.400 . 1 . . . A 37 VAL CA . 19713 1 409 . 1 1 37 37 VAL CB C 13 33.099 0.400 . 1 . . . A 37 VAL CB . 19713 1 410 . 1 1 37 37 VAL CG1 C 13 21.676 0.400 . 1 . . . A 37 VAL CG1 . 19713 1 411 . 1 1 37 37 VAL CG2 C 13 23.763 0.400 . 1 . . . A 37 VAL CG2 . 19713 1 412 . 1 1 37 37 VAL N N 15 122.751 0.400 . 1 . . . A 37 VAL N . 19713 1 413 . 1 1 38 38 TRP H H 1 9.644 0.020 . 1 . . . A 38 TRP H . 19713 1 414 . 1 1 38 38 TRP HA H 1 5.082 0.020 . 1 . . . A 38 TRP HA . 19713 1 415 . 1 1 38 38 TRP HB3 H 1 3.058 0.020 . 2 . . . A 38 TRP HB3 . 19713 1 416 . 1 1 38 38 TRP HD1 H 1 7.022 0.020 . 1 . . . A 38 TRP HD1 . 19713 1 417 . 1 1 38 38 TRP HE1 H 1 10.480 0.020 . 1 . . . A 38 TRP HE1 . 19713 1 418 . 1 1 38 38 TRP HZ2 H 1 7.512 0.020 . 1 . . . A 38 TRP HZ2 . 19713 1 419 . 1 1 38 38 TRP HZ3 H 1 6.915 0.020 . 1 . . . A 38 TRP HZ3 . 19713 1 420 . 1 1 38 38 TRP HH2 H 1 7.128 0.020 . 1 . . . A 38 TRP HH2 . 19713 1 421 . 1 1 38 38 TRP CA C 13 56.773 0.400 . 1 . . . A 38 TRP CA . 19713 1 422 . 1 1 38 38 TRP CB C 13 32.208 0.400 . 1 . . . A 38 TRP CB . 19713 1 423 . 1 1 38 38 TRP N N 15 128.913 0.400 . 1 . . . A 38 TRP N . 19713 1 424 . 1 1 38 38 TRP NE1 N 15 130.289 0.400 . 1 . . . A 38 TRP NE1 . 19713 1 425 . 1 1 39 39 LEU H H 1 9.378 0.020 . 1 . . . A 39 LEU H . 19713 1 426 . 1 1 39 39 LEU HA H 1 4.851 0.020 . 1 . . . A 39 LEU HA . 19713 1 427 . 1 1 39 39 LEU HB2 H 1 1.188 0.020 . 2 . . . A 39 LEU HB2 . 19713 1 428 . 1 1 39 39 LEU HB3 H 1 1.923 0.020 . 2 . . . A 39 LEU HB3 . 19713 1 429 . 1 1 39 39 LEU HG H 1 1.164 0.020 . 1 . . . A 39 LEU HG . 19713 1 430 . 1 1 39 39 LEU HD11 H 1 0.966 0.020 . 2 . . . A 39 LEU HD11 . 19713 1 431 . 1 1 39 39 LEU HD12 H 1 0.966 0.020 . 2 . . . A 39 LEU HD12 . 19713 1 432 . 1 1 39 39 LEU HD13 H 1 0.966 0.020 . 2 . . . A 39 LEU HD13 . 19713 1 433 . 1 1 39 39 LEU HD21 H 1 0.780 0.020 . 2 . . . A 39 LEU HD21 . 19713 1 434 . 1 1 39 39 LEU HD22 H 1 0.780 0.020 . 2 . . . A 39 LEU HD22 . 19713 1 435 . 1 1 39 39 LEU HD23 H 1 0.780 0.020 . 2 . . . A 39 LEU HD23 . 19713 1 436 . 1 1 39 39 LEU CA C 13 53.407 0.400 . 1 . . . A 39 LEU CA . 19713 1 437 . 1 1 39 39 LEU CB C 13 46.898 0.400 . 1 . . . A 39 LEU CB . 19713 1 438 . 1 1 39 39 LEU CG C 13 27.680 0.400 . 1 . . . A 39 LEU CG . 19713 1 439 . 1 1 39 39 LEU CD1 C 13 23.096 0.400 . 1 . . . A 39 LEU CD1 . 19713 1 440 . 1 1 39 39 LEU CD2 C 13 27.221 0.400 . 1 . . . A 39 LEU CD2 . 19713 1 441 . 1 1 39 39 LEU N N 15 122.523 0.400 . 1 . . . A 39 LEU N . 19713 1 442 . 1 1 40 40 ALA H H 1 8.806 0.020 . 1 . . . A 40 ALA H . 19713 1 443 . 1 1 40 40 ALA HA H 1 4.578 0.020 . 1 . . . A 40 ALA HA . 19713 1 444 . 1 1 40 40 ALA HB1 H 1 1.533 0.020 . 1 . . . A 40 ALA HB1 . 19713 1 445 . 1 1 40 40 ALA HB2 H 1 1.533 0.020 . 1 . . . A 40 ALA HB2 . 19713 1 446 . 1 1 40 40 ALA HB3 H 1 1.533 0.020 . 1 . . . A 40 ALA HB3 . 19713 1 447 . 1 1 40 40 ALA CA C 13 54.291 0.400 . 1 . . . A 40 ALA CA . 19713 1 448 . 1 1 40 40 ALA CB C 13 19.036 0.400 . 1 . . . A 40 ALA CB . 19713 1 449 . 1 1 40 40 ALA N N 15 129.759 0.400 . 1 . . . A 40 ALA N . 19713 1 450 . 1 1 41 41 ASP H H 1 7.774 0.020 . 1 . . . A 41 ASP H . 19713 1 451 . 1 1 41 41 ASP HA H 1 4.825 0.020 . 1 . . . A 41 ASP HA . 19713 1 452 . 1 1 41 41 ASP HB2 H 1 3.029 0.020 . 2 . . . A 41 ASP HB2 . 19713 1 453 . 1 1 41 41 ASP HB3 H 1 2.564 0.020 . 2 . . . A 41 ASP HB3 . 19713 1 454 . 1 1 41 41 ASP CA C 13 52.017 0.400 . 1 . . . A 41 ASP CA . 19713 1 455 . 1 1 41 41 ASP CB C 13 38.617 0.400 . 1 . . . A 41 ASP CB . 19713 1 456 . 1 1 41 41 ASP N N 15 115.611 0.400 . 1 . . . A 41 ASP N . 19713 1 457 . 1 1 42 42 GLU H H 1 8.508 0.020 . 1 . . . A 42 GLU H . 19713 1 458 . 1 1 42 42 GLU HA H 1 3.634 0.020 . 1 . . . A 42 GLU HA . 19713 1 459 . 1 1 42 42 GLU HB2 H 1 2.223 0.020 . 2 . . . A 42 GLU HB2 . 19713 1 460 . 1 1 42 42 GLU HB3 H 1 2.000 0.020 . 2 . . . A 42 GLU HB3 . 19713 1 461 . 1 1 42 42 GLU HG2 H 1 2.559 0.020 . 2 . . . A 42 GLU HG2 . 19713 1 462 . 1 1 42 42 GLU HG3 H 1 2.092 0.020 . 2 . . . A 42 GLU HG3 . 19713 1 463 . 1 1 42 42 GLU CA C 13 59.689 0.400 . 1 . . . A 42 GLU CA . 19713 1 464 . 1 1 42 42 GLU CB C 13 28.633 0.400 . 1 . . . A 42 GLU CB . 19713 1 465 . 1 1 42 42 GLU CG C 13 37.398 0.400 . 1 . . . A 42 GLU CG . 19713 1 466 . 1 1 42 42 GLU N N 15 123.031 0.400 . 1 . . . A 42 GLU N . 19713 1 467 . 1 1 43 43 SER H H 1 8.325 0.020 . 1 . . . A 43 SER H . 19713 1 468 . 1 1 43 43 SER HA H 1 4.373 0.020 . 1 . . . A 43 SER HA . 19713 1 469 . 1 1 43 43 SER HB2 H 1 4.043 0.020 . 2 . . . A 43 SER HB2 . 19713 1 470 . 1 1 43 43 SER CA C 13 61.171 0.400 . 1 . . . A 43 SER CA . 19713 1 471 . 1 1 43 43 SER CB C 13 62.526 0.400 . 1 . . . A 43 SER CB . 19713 1 472 . 1 1 43 43 SER N N 15 116.358 0.400 . 1 . . . A 43 SER N . 19713 1 473 . 1 1 44 44 GLN H H 1 7.741 0.020 . 1 . . . A 44 GLN H . 19713 1 474 . 1 1 44 44 GLN HA H 1 4.662 0.020 . 1 . . . A 44 GLN HA . 19713 1 475 . 1 1 44 44 GLN HB2 H 1 2.443 0.020 . 2 . . . A 44 GLN HB2 . 19713 1 476 . 1 1 44 44 GLN HB3 H 1 1.980 0.020 . 2 . . . A 44 GLN HB3 . 19713 1 477 . 1 1 44 44 GLN HG2 H 1 2.432 0.020 . 2 . . . A 44 GLN HG2 . 19713 1 478 . 1 1 44 44 GLN HG3 H 1 2.268 0.020 . 2 . . . A 44 GLN HG3 . 19713 1 479 . 1 1 44 44 GLN HE21 H 1 7.354 0.020 . 2 . . . A 44 GLN HE21 . 19713 1 480 . 1 1 44 44 GLN HE22 H 1 6.633 0.020 . 2 . . . A 44 GLN HE22 . 19713 1 481 . 1 1 44 44 GLN CA C 13 54.473 0.400 . 1 . . . A 44 GLN CA . 19713 1 482 . 1 1 44 44 GLN CB C 13 28.135 0.400 . 1 . . . A 44 GLN CB . 19713 1 483 . 1 1 44 44 GLN CG C 13 32.883 0.400 . 1 . . . A 44 GLN CG . 19713 1 484 . 1 1 44 44 GLN N N 15 118.846 0.400 . 1 . . . A 44 GLN N . 19713 1 485 . 1 1 44 44 GLN NE2 N 15 111.996 0.400 . 1 . . . A 44 GLN NE2 . 19713 1 486 . 1 1 45 45 ALA H H 1 7.567 0.020 . 1 . . . A 45 ALA H . 19713 1 487 . 1 1 45 45 ALA HA H 1 3.550 0.020 . 1 . . . A 45 ALA HA . 19713 1 488 . 1 1 45 45 ALA HB1 H 1 1.417 0.020 . 1 . . . A 45 ALA HB1 . 19713 1 489 . 1 1 45 45 ALA HB2 H 1 1.417 0.020 . 1 . . . A 45 ALA HB2 . 19713 1 490 . 1 1 45 45 ALA HB3 H 1 1.417 0.020 . 1 . . . A 45 ALA HB3 . 19713 1 491 . 1 1 45 45 ALA CA C 13 56.963 0.400 . 1 . . . A 45 ALA CA . 19713 1 492 . 1 1 45 45 ALA CB C 13 18.797 0.400 . 1 . . . A 45 ALA CB . 19713 1 493 . 1 1 45 45 ALA N N 15 122.785 0.400 . 1 . . . A 45 ALA N . 19713 1 494 . 1 1 46 46 GLU H H 1 8.686 0.020 . 1 . . . A 46 GLU H . 19713 1 495 . 1 1 46 46 GLU HA H 1 4.032 0.020 . 1 . . . A 46 GLU HA . 19713 1 496 . 1 1 46 46 GLU HB3 H 1 2.080 0.020 . 2 . . . A 46 GLU HB3 . 19713 1 497 . 1 1 46 46 GLU HG2 H 1 2.372 0.020 . 2 . . . A 46 GLU HG2 . 19713 1 498 . 1 1 46 46 GLU HG3 H 1 2.299 0.020 . 2 . . . A 46 GLU HG3 . 19713 1 499 . 1 1 46 46 GLU CA C 13 59.820 0.400 . 1 . . . A 46 GLU CA . 19713 1 500 . 1 1 46 46 GLU CB C 13 28.688 0.400 . 1 . . . A 46 GLU CB . 19713 1 501 . 1 1 46 46 GLU CG C 13 36.525 0.400 . 1 . . . A 46 GLU CG . 19713 1 502 . 1 1 46 46 GLU N N 15 116.794 0.400 . 1 . . . A 46 GLU N . 19713 1 503 . 1 1 47 47 ARG H H 1 8.042 0.020 . 1 . . . A 47 ARG H . 19713 1 504 . 1 1 47 47 ARG HA H 1 4.245 0.020 . 1 . . . A 47 ARG HA . 19713 1 505 . 1 1 47 47 ARG HB2 H 1 2.010 0.020 . 2 . . . A 47 ARG HB2 . 19713 1 506 . 1 1 47 47 ARG HG2 H 1 1.831 0.020 . 2 . . . A 47 ARG HG2 . 19713 1 507 . 1 1 47 47 ARG HG3 H 1 1.689 0.020 . 2 . . . A 47 ARG HG3 . 19713 1 508 . 1 1 47 47 ARG HD2 H 1 3.295 0.020 . 2 . . . A 47 ARG HD2 . 19713 1 509 . 1 1 47 47 ARG HD3 H 1 3.208 0.020 . 2 . . . A 47 ARG HD3 . 19713 1 510 . 1 1 47 47 ARG CA C 13 58.813 0.400 . 1 . . . A 47 ARG CA . 19713 1 511 . 1 1 47 47 ARG CB C 13 30.066 0.400 . 1 . . . A 47 ARG CB . 19713 1 512 . 1 1 47 47 ARG CG C 13 27.492 0.400 . 1 . . . A 47 ARG CG . 19713 1 513 . 1 1 47 47 ARG CD C 13 43.709 0.400 . 1 . . . A 47 ARG CD . 19713 1 514 . 1 1 47 47 ARG N N 15 122.101 0.400 . 1 . . . A 47 ARG N . 19713 1 515 . 1 1 48 48 VAL H H 1 8.466 0.020 . 1 . . . A 48 VAL H . 19713 1 516 . 1 1 48 48 VAL HA H 1 3.650 0.020 . 1 . . . A 48 VAL HA . 19713 1 517 . 1 1 48 48 VAL HB H 1 2.235 0.020 . 1 . . . A 48 VAL HB . 19713 1 518 . 1 1 48 48 VAL HG11 H 1 1.173 0.020 . 2 . . . A 48 VAL HG11 . 19713 1 519 . 1 1 48 48 VAL HG12 H 1 1.173 0.020 . 2 . . . A 48 VAL HG12 . 19713 1 520 . 1 1 48 48 VAL HG13 H 1 1.173 0.020 . 2 . . . A 48 VAL HG13 . 19713 1 521 . 1 1 48 48 VAL HG21 H 1 1.168 0.020 . 2 . . . A 48 VAL HG21 . 19713 1 522 . 1 1 48 48 VAL HG22 H 1 1.168 0.020 . 2 . . . A 48 VAL HG22 . 19713 1 523 . 1 1 48 48 VAL HG23 H 1 1.168 0.020 . 2 . . . A 48 VAL HG23 . 19713 1 524 . 1 1 48 48 VAL CA C 13 66.962 0.400 . 1 . . . A 48 VAL CA . 19713 1 525 . 1 1 48 48 VAL CB C 13 31.254 0.400 . 1 . . . A 48 VAL CB . 19713 1 526 . 1 1 48 48 VAL CG1 C 13 23.856 0.400 . 1 . . . A 48 VAL CG1 . 19713 1 527 . 1 1 48 48 VAL CG2 C 13 25.576 0.400 . 1 . . . A 48 VAL CG2 . 19713 1 528 . 1 1 48 48 VAL N N 15 118.395 0.400 . 1 . . . A 48 VAL N . 19713 1 529 . 1 1 49 49 ARG H H 1 8.604 0.020 . 1 . . . A 49 ARG H . 19713 1 530 . 1 1 49 49 ARG HA H 1 3.871 0.020 . 1 . . . A 49 ARG HA . 19713 1 531 . 1 1 49 49 ARG HB3 H 1 1.918 0.020 . 2 . . . A 49 ARG HB3 . 19713 1 532 . 1 1 49 49 ARG HG2 H 1 1.585 0.020 . 2 . . . A 49 ARG HG2 . 19713 1 533 . 1 1 49 49 ARG HD2 H 1 3.119 0.020 . 2 . . . A 49 ARG HD2 . 19713 1 534 . 1 1 49 49 ARG HD3 H 1 3.216 0.020 . 2 . . . A 49 ARG HD3 . 19713 1 535 . 1 1 49 49 ARG CA C 13 60.756 0.400 . 1 . . . A 49 ARG CA . 19713 1 536 . 1 1 49 49 ARG CB C 13 29.559 0.400 . 1 . . . A 49 ARG CB . 19713 1 537 . 1 1 49 49 ARG CG C 13 29.443 0.400 . 1 . . . A 49 ARG CG . 19713 1 538 . 1 1 49 49 ARG CD C 13 43.157 0.400 . 1 . . . A 49 ARG CD . 19713 1 539 . 1 1 49 49 ARG N N 15 119.126 0.400 . 1 . . . A 49 ARG N . 19713 1 540 . 1 1 50 50 ALA H H 1 8.081 0.020 . 1 . . . A 50 ALA H . 19713 1 541 . 1 1 50 50 ALA HA H 1 4.274 0.020 . 1 . . . A 50 ALA HA . 19713 1 542 . 1 1 50 50 ALA HB1 H 1 1.623 0.020 . 1 . . . A 50 ALA HB1 . 19713 1 543 . 1 1 50 50 ALA HB2 H 1 1.623 0.020 . 1 . . . A 50 ALA HB2 . 19713 1 544 . 1 1 50 50 ALA HB3 H 1 1.623 0.020 . 1 . . . A 50 ALA HB3 . 19713 1 545 . 1 1 50 50 ALA CA C 13 55.122 0.400 . 1 . . . A 50 ALA CA . 19713 1 546 . 1 1 50 50 ALA CB C 13 18.008 0.400 . 1 . . . A 50 ALA CB . 19713 1 547 . 1 1 50 50 ALA N N 15 123.287 0.400 . 1 . . . A 50 ALA N . 19713 1 548 . 1 1 51 51 GLU H H 1 8.386 0.020 . 1 . . . A 51 GLU H . 19713 1 549 . 1 1 51 51 GLU HA H 1 4.449 0.020 . 1 . . . A 51 GLU HA . 19713 1 550 . 1 1 51 51 GLU HB2 H 1 2.601 0.020 . 2 . . . A 51 GLU HB2 . 19713 1 551 . 1 1 51 51 GLU HB3 H 1 2.429 0.020 . 2 . . . A 51 GLU HB3 . 19713 1 552 . 1 1 51 51 GLU HG2 H 1 2.374 0.020 . 2 . . . A 51 GLU HG2 . 19713 1 553 . 1 1 51 51 GLU HG3 H 1 2.720 0.020 . 2 . . . A 51 GLU HG3 . 19713 1 554 . 1 1 51 51 GLU CA C 13 58.341 0.400 . 1 . . . A 51 GLU CA . 19713 1 555 . 1 1 51 51 GLU CB C 13 30.118 0.400 . 1 . . . A 51 GLU CB . 19713 1 556 . 1 1 51 51 GLU CG C 13 36.126 0.400 . 1 . . . A 51 GLU CG . 19713 1 557 . 1 1 51 51 GLU N N 15 118.576 0.400 . 1 . . . A 51 GLU N . 19713 1 558 . 1 1 52 52 LEU H H 1 8.976 0.020 . 1 . . . A 52 LEU H . 19713 1 559 . 1 1 52 52 LEU HA H 1 3.938 0.020 . 1 . . . A 52 LEU HA . 19713 1 560 . 1 1 52 52 LEU HB2 H 1 1.995 0.020 . 2 . . . A 52 LEU HB2 . 19713 1 561 . 1 1 52 52 LEU HB3 H 1 1.352 0.020 . 2 . . . A 52 LEU HB3 . 19713 1 562 . 1 1 52 52 LEU HG H 1 1.437 0.020 . 1 . . . A 52 LEU HG . 19713 1 563 . 1 1 52 52 LEU HD11 H 1 0.214 0.020 . 2 . . . A 52 LEU HD11 . 19713 1 564 . 1 1 52 52 LEU HD12 H 1 0.214 0.020 . 2 . . . A 52 LEU HD12 . 19713 1 565 . 1 1 52 52 LEU HD13 H 1 0.214 0.020 . 2 . . . A 52 LEU HD13 . 19713 1 566 . 1 1 52 52 LEU HD21 H 1 0.612 0.020 . 2 . . . A 52 LEU HD21 . 19713 1 567 . 1 1 52 52 LEU HD22 H 1 0.612 0.020 . 2 . . . A 52 LEU HD22 . 19713 1 568 . 1 1 52 52 LEU HD23 H 1 0.612 0.020 . 2 . . . A 52 LEU HD23 . 19713 1 569 . 1 1 52 52 LEU CA C 13 57.745 0.400 . 1 . . . A 52 LEU CA . 19713 1 570 . 1 1 52 52 LEU CB C 13 41.243 0.400 . 1 . . . A 52 LEU CB . 19713 1 571 . 1 1 52 52 LEU CG C 13 26.279 0.400 . 1 . . . A 52 LEU CG . 19713 1 572 . 1 1 52 52 LEU CD1 C 13 21.949 0.400 . 1 . . . A 52 LEU CD1 . 19713 1 573 . 1 1 52 52 LEU CD2 C 13 26.008 0.400 . 1 . . . A 52 LEU CD2 . 19713 1 574 . 1 1 52 52 LEU N N 15 122.397 0.400 . 1 . . . A 52 LEU N . 19713 1 575 . 1 1 53 53 ALA H H 1 7.418 0.020 . 1 . . . A 53 ALA H . 19713 1 576 . 1 1 53 53 ALA HA H 1 4.054 0.020 . 1 . . . A 53 ALA HA . 19713 1 577 . 1 1 53 53 ALA HB1 H 1 1.508 0.020 . 1 . . . A 53 ALA HB1 . 19713 1 578 . 1 1 53 53 ALA HB2 H 1 1.508 0.020 . 1 . . . A 53 ALA HB2 . 19713 1 579 . 1 1 53 53 ALA HB3 H 1 1.508 0.020 . 1 . . . A 53 ALA HB3 . 19713 1 580 . 1 1 53 53 ALA CA C 13 55.094 0.400 . 1 . . . A 53 ALA CA . 19713 1 581 . 1 1 53 53 ALA CB C 13 17.597 0.400 . 1 . . . A 53 ALA CB . 19713 1 582 . 1 1 53 53 ALA N N 15 119.025 0.400 . 1 . . . A 53 ALA N . 19713 1 583 . 1 1 54 54 ARG H H 1 7.316 0.020 . 1 . . . A 54 ARG H . 19713 1 584 . 1 1 54 54 ARG HA H 1 4.136 0.020 . 1 . . . A 54 ARG HA . 19713 1 585 . 1 1 54 54 ARG HB2 H 1 2.012 0.020 . 2 . . . A 54 ARG HB2 . 19713 1 586 . 1 1 54 54 ARG HG2 H 1 1.869 0.020 . 2 . . . A 54 ARG HG2 . 19713 1 587 . 1 1 54 54 ARG HG3 H 1 1.888 0.020 . 2 . . . A 54 ARG HG3 . 19713 1 588 . 1 1 54 54 ARG HD2 H 1 3.276 0.020 . 2 . . . A 54 ARG HD2 . 19713 1 589 . 1 1 54 54 ARG CA C 13 58.686 0.400 . 1 . . . A 54 ARG CA . 19713 1 590 . 1 1 54 54 ARG CB C 13 30.440 0.400 . 1 . . . A 54 ARG CB . 19713 1 591 . 1 1 54 54 ARG CG C 13 26.932 0.400 . 1 . . . A 54 ARG CG . 19713 1 592 . 1 1 54 54 ARG CD C 13 43.249 0.400 . 1 . . . A 54 ARG CD . 19713 1 593 . 1 1 54 54 ARG N N 15 116.311 0.400 . 1 . . . A 54 ARG N . 19713 1 594 . 1 1 55 55 PHE H H 1 8.729 0.020 . 1 . . . A 55 PHE H . 19713 1 595 . 1 1 55 55 PHE HA H 1 4.033 0.020 . 1 . . . A 55 PHE HA . 19713 1 596 . 1 1 55 55 PHE HB2 H 1 3.305 0.020 . 2 . . . A 55 PHE HB2 . 19713 1 597 . 1 1 55 55 PHE HB3 H 1 3.219 0.020 . 2 . . . A 55 PHE HB3 . 19713 1 598 . 1 1 55 55 PHE HD1 H 1 6.938 0.020 . 1 . . . A 55 PHE HD1 . 19713 1 599 . 1 1 55 55 PHE HD2 H 1 6.938 0.020 . 1 . . . A 55 PHE HD2 . 19713 1 600 . 1 1 55 55 PHE HE1 H 1 6.913 0.020 . 1 . . . A 55 PHE HE1 . 19713 1 601 . 1 1 55 55 PHE HE2 H 1 6.913 0.020 . 1 . . . A 55 PHE HE2 . 19713 1 602 . 1 1 55 55 PHE HZ H 1 7.077 0.020 . 1 . . . A 55 PHE HZ . 19713 1 603 . 1 1 55 55 PHE CA C 13 60.786 0.400 . 1 . . . A 55 PHE CA . 19713 1 604 . 1 1 55 55 PHE CB C 13 40.056 0.400 . 1 . . . A 55 PHE CB . 19713 1 605 . 1 1 55 55 PHE N N 15 122.048 0.400 . 1 . . . A 55 PHE N . 19713 1 606 . 1 1 56 56 LEU H H 1 8.133 0.020 . 1 . . . A 56 LEU H . 19713 1 607 . 1 1 56 56 LEU HA H 1 4.043 0.020 . 1 . . . A 56 LEU HA . 19713 1 608 . 1 1 56 56 LEU HB2 H 1 1.808 0.020 . 2 . . . A 56 LEU HB2 . 19713 1 609 . 1 1 56 56 LEU HG H 1 1.956 0.020 . 1 . . . A 56 LEU HG . 19713 1 610 . 1 1 56 56 LEU HD11 H 1 0.964 0.020 . 2 . . . A 56 LEU HD11 . 19713 1 611 . 1 1 56 56 LEU HD12 H 1 0.964 0.020 . 2 . . . A 56 LEU HD12 . 19713 1 612 . 1 1 56 56 LEU HD13 H 1 0.964 0.020 . 2 . . . A 56 LEU HD13 . 19713 1 613 . 1 1 56 56 LEU HD21 H 1 0.839 0.020 . 2 . . . A 56 LEU HD21 . 19713 1 614 . 1 1 56 56 LEU HD22 H 1 0.839 0.020 . 2 . . . A 56 LEU HD22 . 19713 1 615 . 1 1 56 56 LEU HD23 H 1 0.839 0.020 . 2 . . . A 56 LEU HD23 . 19713 1 616 . 1 1 56 56 LEU CA C 13 55.717 0.400 . 1 . . . A 56 LEU CA . 19713 1 617 . 1 1 56 56 LEU CB C 13 42.035 0.400 . 1 . . . A 56 LEU CB . 19713 1 618 . 1 1 56 56 LEU CG C 13 26.578 0.400 . 1 . . . A 56 LEU CG . 19713 1 619 . 1 1 56 56 LEU CD1 C 13 22.170 0.400 . 1 . . . A 56 LEU CD1 . 19713 1 620 . 1 1 56 56 LEU CD2 C 13 25.568 0.400 . 1 . . . A 56 LEU CD2 . 19713 1 621 . 1 1 56 56 LEU N N 15 116.538 0.400 . 1 . . . A 56 LEU N . 19713 1 622 . 1 1 57 57 GLU H H 1 7.479 0.020 . 1 . . . A 57 GLU H . 19713 1 623 . 1 1 57 57 GLU HA H 1 4.104 0.020 . 1 . . . A 57 GLU HA . 19713 1 624 . 1 1 57 57 GLU HB2 H 1 2.070 0.020 . 2 . . . A 57 GLU HB2 . 19713 1 625 . 1 1 57 57 GLU HG2 H 1 2.433 0.020 . 2 . . . A 57 GLU HG2 . 19713 1 626 . 1 1 57 57 GLU HG3 H 1 2.269 0.020 . 2 . . . A 57 GLU HG3 . 19713 1 627 . 1 1 57 57 GLU CA C 13 57.554 0.400 . 1 . . . A 57 GLU CA . 19713 1 628 . 1 1 57 57 GLU CB C 13 30.026 0.400 . 1 . . . A 57 GLU CB . 19713 1 629 . 1 1 57 57 GLU CG C 13 36.274 0.400 . 1 . . . A 57 GLU CG . 19713 1 630 . 1 1 57 57 GLU N N 15 118.454 0.400 . 1 . . . A 57 GLU N . 19713 1 631 . 1 1 58 58 ASN H H 1 7.722 0.020 . 1 . . . A 58 ASN H . 19713 1 632 . 1 1 58 58 ASN HA H 1 4.906 0.020 . 1 . . . A 58 ASN HA . 19713 1 633 . 1 1 58 58 ASN HB2 H 1 2.841 0.020 . 2 . . . A 58 ASN HB2 . 19713 1 634 . 1 1 58 58 ASN HB3 H 1 2.676 0.020 . 2 . . . A 58 ASN HB3 . 19713 1 635 . 1 1 58 58 ASN HD21 H 1 7.548 0.020 . 2 . . . A 58 ASN HD21 . 19713 1 636 . 1 1 58 58 ASN HD22 H 1 6.871 0.020 . 2 . . . A 58 ASN HD22 . 19713 1 637 . 1 1 58 58 ASN CA C 13 51.164 0.400 . 1 . . . A 58 ASN CA . 19713 1 638 . 1 1 58 58 ASN CB C 13 38.811 0.400 . 1 . . . A 58 ASN CB . 19713 1 639 . 1 1 58 58 ASN N N 15 116.134 0.400 . 1 . . . A 58 ASN N . 19713 1 640 . 1 1 58 58 ASN ND2 N 15 113.430 0.400 . 1 . . . A 58 ASN ND2 . 19713 1 641 . 1 1 59 59 PRO HA H 1 4.090 0.020 . 1 . . . A 59 PRO HA . 19713 1 642 . 1 1 59 59 PRO HB2 H 1 2.014 0.020 . 2 . . . A 59 PRO HB2 . 19713 1 643 . 1 1 59 59 PRO HB3 H 1 1.838 0.020 . 2 . . . A 59 PRO HB3 . 19713 1 644 . 1 1 59 59 PRO HG2 H 1 1.895 0.020 . 2 . . . A 59 PRO HG2 . 19713 1 645 . 1 1 59 59 PRO HG3 H 1 1.787 0.020 . 2 . . . A 59 PRO HG3 . 19713 1 646 . 1 1 59 59 PRO HD2 H 1 3.636 0.020 . 2 . . . A 59 PRO HD2 . 19713 1 647 . 1 1 59 59 PRO CA C 13 63.883 0.400 . 1 . . . A 59 PRO CA . 19713 1 648 . 1 1 59 59 PRO CB C 13 31.856 0.400 . 1 . . . A 59 PRO CB . 19713 1 649 . 1 1 59 59 PRO CG C 13 27.149 0.400 . 1 . . . A 59 PRO CG . 19713 1 650 . 1 1 59 59 PRO CD C 13 50.407 0.400 . 1 . . . A 59 PRO CD . 19713 1 651 . 1 1 60 60 ALA H H 1 7.995 0.020 . 1 . . . A 60 ALA H . 19713 1 652 . 1 1 60 60 ALA HA H 1 4.196 0.020 . 1 . . . A 60 ALA HA . 19713 1 653 . 1 1 60 60 ALA HB1 H 1 1.344 0.020 . 1 . . . A 60 ALA HB1 . 19713 1 654 . 1 1 60 60 ALA HB2 H 1 1.344 0.020 . 1 . . . A 60 ALA HB2 . 19713 1 655 . 1 1 60 60 ALA HB3 H 1 1.344 0.020 . 1 . . . A 60 ALA HB3 . 19713 1 656 . 1 1 60 60 ALA CA C 13 52.877 0.400 . 1 . . . A 60 ALA CA . 19713 1 657 . 1 1 60 60 ALA CB C 13 18.898 0.400 . 1 . . . A 60 ALA CB . 19713 1 658 . 1 1 60 60 ALA N N 15 123.290 0.400 . 1 . . . A 60 ALA N . 19713 1 659 . 1 1 61 61 ASP H H 1 7.985 0.020 . 1 . . . A 61 ASP H . 19713 1 660 . 1 1 61 61 ASP HA H 1 4.575 0.020 . 1 . . . A 61 ASP HA . 19713 1 661 . 1 1 61 61 ASP HB2 H 1 2.599 0.020 . 2 . . . A 61 ASP HB2 . 19713 1 662 . 1 1 61 61 ASP HB3 H 1 2.718 0.020 . 2 . . . A 61 ASP HB3 . 19713 1 663 . 1 1 61 61 ASP CA C 13 54.274 0.400 . 1 . . . A 61 ASP CA . 19713 1 664 . 1 1 61 61 ASP CB C 13 40.887 0.400 . 1 . . . A 61 ASP CB . 19713 1 665 . 1 1 61 61 ASP N N 15 118.409 0.400 . 1 . . . A 61 ASP N . 19713 1 666 . 1 1 62 62 LEU H H 1 7.921 0.020 . 1 . . . A 62 LEU H . 19713 1 667 . 1 1 62 62 LEU HA H 1 4.170 0.020 . 1 . . . A 62 LEU HA . 19713 1 668 . 1 1 62 62 LEU HB2 H 1 1.600 0.020 . 2 . . . A 62 LEU HB2 . 19713 1 669 . 1 1 62 62 LEU HB3 H 1 1.520 0.020 . 2 . . . A 62 LEU HB3 . 19713 1 670 . 1 1 62 62 LEU HG H 1 1.554 0.020 . 1 . . . A 62 LEU HG . 19713 1 671 . 1 1 62 62 LEU HD11 H 1 0.749 0.020 . 2 . . . A 62 LEU HD11 . 19713 1 672 . 1 1 62 62 LEU HD12 H 1 0.749 0.020 . 2 . . . A 62 LEU HD12 . 19713 1 673 . 1 1 62 62 LEU HD13 H 1 0.749 0.020 . 2 . . . A 62 LEU HD13 . 19713 1 674 . 1 1 62 62 LEU HD21 H 1 0.810 0.020 . 2 . . . A 62 LEU HD21 . 19713 1 675 . 1 1 62 62 LEU HD22 H 1 0.810 0.020 . 2 . . . A 62 LEU HD22 . 19713 1 676 . 1 1 62 62 LEU HD23 H 1 0.810 0.020 . 2 . . . A 62 LEU HD23 . 19713 1 677 . 1 1 62 62 LEU CA C 13 55.673 0.400 . 1 . . . A 62 LEU CA . 19713 1 678 . 1 1 62 62 LEU CB C 13 41.992 0.400 . 1 . . . A 62 LEU CB . 19713 1 679 . 1 1 62 62 LEU CG C 13 27.162 0.400 . 1 . . . A 62 LEU CG . 19713 1 680 . 1 1 62 62 LEU CD1 C 13 23.373 0.400 . 1 . . . A 62 LEU CD1 . 19713 1 681 . 1 1 62 62 LEU CD2 C 13 25.106 0.400 . 1 . . . A 62 LEU CD2 . 19713 1 682 . 1 1 62 62 LEU N N 15 121.754 0.400 . 1 . . . A 62 LEU N . 19713 1 683 . 1 1 63 63 GLU H H 1 8.071 0.020 . 1 . . . A 63 GLU H . 19713 1 684 . 1 1 63 63 GLU HA H 1 4.132 0.020 . 1 . . . A 63 GLU HA . 19713 1 685 . 1 1 63 63 GLU HB2 H 1 1.884 0.020 . 2 . . . A 63 GLU HB2 . 19713 1 686 . 1 1 63 63 GLU HG2 H 1 2.197 0.020 . 2 . . . A 63 GLU HG2 . 19713 1 687 . 1 1 63 63 GLU HG3 H 1 2.110 0.020 . 2 . . . A 63 GLU HG3 . 19713 1 688 . 1 1 63 63 GLU CA C 13 56.838 0.400 . 1 . . . A 63 GLU CA . 19713 1 689 . 1 1 63 63 GLU CB C 13 29.969 0.400 . 1 . . . A 63 GLU CB . 19713 1 690 . 1 1 63 63 GLU CG C 13 36.188 0.400 . 1 . . . A 63 GLU CG . 19713 1 691 . 1 1 63 63 GLU N N 15 118.919 0.400 . 1 . . . A 63 GLU N . 19713 1 stop_ save_