data_16269 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16269 _Entry.Title ; n-NafY. N-terminal domain of NafY ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-01 _Entry.Accession_date 2009-05-01 _Entry.Last_release_date 2012-08-06 _Entry.Original_release_date 2012-08-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Aaron Phillips . H. . 16269 2 Jose Hernandez . A. . 16269 3 Kaya Erbil . . . 16269 4 Jeff Pelton . G. . 16269 5 David Wemmer . E. . 16269 6 Luis Rubio . M. . 16269 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' . 16269 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Nitrogenase Gamma Subunit' . 16269 n-NafY . 16269 Protein . 16269 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16269 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 233 16269 '15N chemical shifts' 81 16269 '1H chemical shifts' 514 16269 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 . . 2012-08-06 2009-05-01 original author . 16269 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KIC 'BMRB Entry Tracking System' 16269 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16269 _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 'Biological activity and solution structure of the apo-dinitrogenase binding domain of NafY' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Aaron Phillips . H. . 16269 1 2 Jose Hernandez . A. . 16269 1 3 Kaya Erbil . . . 16269 1 4 Jeff Pelton . G. . 16269 1 5 David Wemmer . E. . 16269 1 6 Luis Rubio . M. . 16269 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16269 _Assembly.ID 1 _Assembly.Name n-NafY _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 n-NafY 1 $n-NafY A . yes native no no . . . 16269 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_n-NafY _Entity.Sf_category entity _Entity.Sf_framecode n-NafY _Entity.Entry_ID 16269 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name n-NafY _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 ; GHMVTPVNMSRETALRIALA ARALPGTTVGQLLEILHQRI EGPLTEESLQGVSVTDLKIG LAGSEEDVDMLDTPMSALKD AVRILWGEAEVDSLPQPV ; _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 98 _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 10284.854 _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 2KIC . "N-Nafy. N-Terminal Domain Of Nafy" . . . . . 100.00 98 100.00 100.00 5.29e-61 . . . . 16269 1 2 no GB AAG29822 . "nitrogenase gamma subunit [Azotobacter vinelandii DJ]" . . . . . 97.96 243 100.00 100.00 9.77e-58 . . . . 16269 1 3 no GB ACO81178 . "Nitrogen fixation-related protein, gamma subunit [Azotobacter vinelandii DJ]" . . . . . 97.96 243 100.00 100.00 9.77e-58 . . . . 16269 1 4 no GB AGK13761 . "Nitrogen fixation-related protein, gamma subunit [Azotobacter vinelandii CA]" . . . . . 97.96 243 100.00 100.00 9.77e-58 . . . . 16269 1 5 no GB AGK18361 . "Nitrogen fixation-related protein, gamma subunit [Azotobacter vinelandii CA6]" . . . . . 97.96 243 100.00 100.00 9.77e-58 . . . . 16269 1 6 no REF WP_012703531 . "dinitrogenase iron-molybdenum cofactor biosynthesis protein [Azotobacter vinelandii]" . . . . . 97.96 243 100.00 100.00 9.77e-58 . . . . 16269 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 GLY . 16269 1 2 0 HIS . 16269 1 3 1 MET . 16269 1 4 2 VAL . 16269 1 5 3 THR . 16269 1 6 4 PRO . 16269 1 7 5 VAL . 16269 1 8 6 ASN . 16269 1 9 7 MET . 16269 1 10 8 SER . 16269 1 11 9 ARG . 16269 1 12 10 GLU . 16269 1 13 11 THR . 16269 1 14 12 ALA . 16269 1 15 13 LEU . 16269 1 16 14 ARG . 16269 1 17 15 ILE . 16269 1 18 16 ALA . 16269 1 19 17 LEU . 16269 1 20 18 ALA . 16269 1 21 19 ALA . 16269 1 22 20 ARG . 16269 1 23 21 ALA . 16269 1 24 22 LEU . 16269 1 25 23 PRO . 16269 1 26 24 GLY . 16269 1 27 25 THR . 16269 1 28 26 THR . 16269 1 29 27 VAL . 16269 1 30 28 GLY . 16269 1 31 29 GLN . 16269 1 32 30 LEU . 16269 1 33 31 LEU . 16269 1 34 32 GLU . 16269 1 35 33 ILE . 16269 1 36 34 LEU . 16269 1 37 35 HIS . 16269 1 38 36 GLN . 16269 1 39 37 ARG . 16269 1 40 38 ILE . 16269 1 41 39 GLU . 16269 1 42 40 GLY . 16269 1 43 41 PRO . 16269 1 44 42 LEU . 16269 1 45 43 THR . 16269 1 46 44 GLU . 16269 1 47 45 GLU . 16269 1 48 46 SER . 16269 1 49 47 LEU . 16269 1 50 48 GLN . 16269 1 51 49 GLY . 16269 1 52 50 VAL . 16269 1 53 51 SER . 16269 1 54 52 VAL . 16269 1 55 53 THR . 16269 1 56 54 ASP . 16269 1 57 55 LEU . 16269 1 58 56 LYS . 16269 1 59 57 ILE . 16269 1 60 58 GLY . 16269 1 61 59 LEU . 16269 1 62 60 ALA . 16269 1 63 61 GLY . 16269 1 64 62 SER . 16269 1 65 63 GLU . 16269 1 66 64 GLU . 16269 1 67 65 ASP . 16269 1 68 66 VAL . 16269 1 69 67 ASP . 16269 1 70 68 MET . 16269 1 71 69 LEU . 16269 1 72 70 ASP . 16269 1 73 71 THR . 16269 1 74 72 PRO . 16269 1 75 73 MET . 16269 1 76 74 SER . 16269 1 77 75 ALA . 16269 1 78 76 LEU . 16269 1 79 77 LYS . 16269 1 80 78 ASP . 16269 1 81 79 ALA . 16269 1 82 80 VAL . 16269 1 83 81 ARG . 16269 1 84 82 ILE . 16269 1 85 83 LEU . 16269 1 86 84 TRP . 16269 1 87 85 GLY . 16269 1 88 86 GLU . 16269 1 89 87 ALA . 16269 1 90 88 GLU . 16269 1 91 89 VAL . 16269 1 92 90 ASP . 16269 1 93 91 SER . 16269 1 94 92 LEU . 16269 1 95 93 PRO . 16269 1 96 94 GLN . 16269 1 97 95 PRO . 16269 1 98 96 VAL . 16269 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 16269 1 . HIS 2 2 16269 1 . MET 3 3 16269 1 . VAL 4 4 16269 1 . THR 5 5 16269 1 . PRO 6 6 16269 1 . VAL 7 7 16269 1 . ASN 8 8 16269 1 . MET 9 9 16269 1 . SER 10 10 16269 1 . ARG 11 11 16269 1 . GLU 12 12 16269 1 . THR 13 13 16269 1 . ALA 14 14 16269 1 . LEU 15 15 16269 1 . ARG 16 16 16269 1 . ILE 17 17 16269 1 . ALA 18 18 16269 1 . LEU 19 19 16269 1 . ALA 20 20 16269 1 . ALA 21 21 16269 1 . ARG 22 22 16269 1 . ALA 23 23 16269 1 . LEU 24 24 16269 1 . PRO 25 25 16269 1 . GLY 26 26 16269 1 . THR 27 27 16269 1 . THR 28 28 16269 1 . VAL 29 29 16269 1 . GLY 30 30 16269 1 . GLN 31 31 16269 1 . LEU 32 32 16269 1 . LEU 33 33 16269 1 . GLU 34 34 16269 1 . ILE 35 35 16269 1 . LEU 36 36 16269 1 . HIS 37 37 16269 1 . GLN 38 38 16269 1 . ARG 39 39 16269 1 . ILE 40 40 16269 1 . GLU 41 41 16269 1 . GLY 42 42 16269 1 . PRO 43 43 16269 1 . LEU 44 44 16269 1 . THR 45 45 16269 1 . GLU 46 46 16269 1 . GLU 47 47 16269 1 . SER 48 48 16269 1 . LEU 49 49 16269 1 . GLN 50 50 16269 1 . GLY 51 51 16269 1 . VAL 52 52 16269 1 . SER 53 53 16269 1 . VAL 54 54 16269 1 . THR 55 55 16269 1 . ASP 56 56 16269 1 . LEU 57 57 16269 1 . LYS 58 58 16269 1 . ILE 59 59 16269 1 . GLY 60 60 16269 1 . LEU 61 61 16269 1 . ALA 62 62 16269 1 . GLY 63 63 16269 1 . SER 64 64 16269 1 . GLU 65 65 16269 1 . GLU 66 66 16269 1 . ASP 67 67 16269 1 . VAL 68 68 16269 1 . ASP 69 69 16269 1 . MET 70 70 16269 1 . LEU 71 71 16269 1 . ASP 72 72 16269 1 . THR 73 73 16269 1 . PRO 74 74 16269 1 . MET 75 75 16269 1 . SER 76 76 16269 1 . ALA 77 77 16269 1 . LEU 78 78 16269 1 . LYS 79 79 16269 1 . ASP 80 80 16269 1 . ALA 81 81 16269 1 . VAL 82 82 16269 1 . ARG 83 83 16269 1 . ILE 84 84 16269 1 . LEU 85 85 16269 1 . TRP 86 86 16269 1 . GLY 87 87 16269 1 . GLU 88 88 16269 1 . ALA 89 89 16269 1 . GLU 90 90 16269 1 . VAL 91 91 16269 1 . ASP 92 92 16269 1 . SER 93 93 16269 1 . LEU 94 94 16269 1 . PRO 95 95 16269 1 . GLN 96 96 16269 1 . PRO 97 97 16269 1 . VAL 98 98 16269 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 16269 _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 $n-NafY . 354 organism . 'Azotobacter Vinelandii' 'Azotobacter Vinelandii' . . Bacteria . Azotobacter Vinelandii . . . . . . . . . . . . . . . . nafY . 'N-terminal Domain of NafY, the Gamma subunit of Nitrogenase' . . 16269 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 16269 _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 $n-NafY . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . . . . . . . . . . . pSKB3 . . . . . . 16269 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16269 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 n-NafY '[U-100% 13C; U-100% 15N]' . . 1 $n-NafY . . 1 . . mM . . . . 16269 1 2 NaCl 'natural abundance' . . . . . . 140 . . mM . . . . 16269 1 3 KCl 'natural abundance' . . . . . . 2.7 . . mM . . . . 16269 1 4 Na2HPO4 'natural abundance' . . . . . . 10 . . mM . . . . 16269 1 5 KH2PO4 'natural abundance' . . . . . . 1.8 . . mM . . . . 16269 1 6 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 16269 1 7 NaN3 'natural abundance' . . . . . . 0.02 . . '% (w/v)' . . . . 16269 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16269 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 n-NafY '[U-100% 13C; U-100% 15N]' . . 1 $n-NafY . . 1 . . mM . . . . 16269 2 2 NaCl 'natural abundance' . . . . . . 140 . . mM . . . . 16269 2 3 KCl 'natural abundance' . . . . . . 2.7 . . mM . . . . 16269 2 4 Na2HPO4 'natural abundance' . . . . . . 10 . . mM . . . . 16269 2 5 KH2PO4 'natural abundance' . . . . . . 1.8 . . mM . . . . 16269 2 6 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 16269 2 7 NaN3 'natural abundance' . . . . . . 0.02 . . '% (w/v)' . . . . 16269 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 16269 _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' 150 . mM 16269 1 pH 7.3 . pH 16269 1 pressure 1 . atm 16269 1 temperature 298 . K 16269 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 16269 _Software.ID 1 _Software.Name X-PLOR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 16269 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16269 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_900 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 900 _NMR_spectrometer.Entry_ID 16269 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _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 16269 _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 1 900 Bruker AMX . 900 . . . 16269 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 16269 _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 $900 . . . . . . . . . . . . . . . . 16269 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 16269 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16269 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16269 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16269 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 16269 _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' . . . 16269 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 9 9 MET H H 1 9.275 0.020 . 1 . . . . 7 MET H . 16269 1 2 . 1 1 9 9 MET CA C 13 56.716 0.300 . 1 . . . . 7 MET CA . 16269 1 3 . 1 1 9 9 MET N N 15 119.236 0.300 . 1 . . . . 7 MET N . 16269 1 4 . 1 1 10 10 SER H H 1 9.226 0.020 . 1 . . . . 8 SER H . 16269 1 5 . 1 1 10 10 SER HA H 1 4.469 0.020 . 1 . . . . 8 SER HA . 16269 1 6 . 1 1 10 10 SER HB2 H 1 4.150 0.020 . 2 . . . . 8 SER HB2 . 16269 1 7 . 1 1 10 10 SER HB3 H 1 4.457 0.020 . 2 . . . . 8 SER HB3 . 16269 1 8 . 1 1 10 10 SER CA C 13 56.664 0.300 . 1 . . . . 8 SER CA . 16269 1 9 . 1 1 10 10 SER CB C 13 64.326 0.300 . 1 . . . . 8 SER CB . 16269 1 10 . 1 1 10 10 SER N N 15 118.337 0.300 . 1 . . . . 8 SER N . 16269 1 11 . 1 1 11 11 ARG H H 1 8.950 0.020 . 1 . . . . 9 ARG H . 16269 1 12 . 1 1 11 11 ARG HA H 1 3.990 0.020 . 1 . . . . 9 ARG HA . 16269 1 13 . 1 1 11 11 ARG HB2 H 1 1.907 0.020 . 2 . . . . 9 ARG HB2 . 16269 1 14 . 1 1 11 11 ARG HB3 H 1 1.812 0.020 . 2 . . . . 9 ARG HB3 . 16269 1 15 . 1 1 11 11 ARG HD2 H 1 3.190 0.020 . 2 . . . . 9 ARG HD2 . 16269 1 16 . 1 1 11 11 ARG HD3 H 1 3.232 0.020 . 2 . . . . 9 ARG HD3 . 16269 1 17 . 1 1 11 11 ARG HG2 H 1 1.601 0.020 . 2 . . . . 9 ARG HG2 . 16269 1 18 . 1 1 11 11 ARG HG3 H 1 1.743 0.020 . 2 . . . . 9 ARG HG3 . 16269 1 19 . 1 1 11 11 ARG CA C 13 58.636 0.300 . 1 . . . . 9 ARG CA . 16269 1 20 . 1 1 11 11 ARG CB C 13 29.099 0.300 . 1 . . . . 9 ARG CB . 16269 1 21 . 1 1 11 11 ARG CD C 13 42.558 0.300 . 1 . . . . 9 ARG CD . 16269 1 22 . 1 1 11 11 ARG CG C 13 26.700 0.300 . 1 . . . . 9 ARG CG . 16269 1 23 . 1 1 11 11 ARG N N 15 119.892 0.300 . 1 . . . . 9 ARG N . 16269 1 24 . 1 1 12 12 GLU H H 1 8.823 0.020 . 1 . . . . 10 GLU H . 16269 1 25 . 1 1 12 12 GLU HA H 1 4.011 0.020 . 1 . . . . 10 GLU HA . 16269 1 26 . 1 1 12 12 GLU HB2 H 1 2.158 0.020 . 2 . . . . 10 GLU HB2 . 16269 1 27 . 1 1 12 12 GLU HB3 H 1 1.941 0.020 . 2 . . . . 10 GLU HB3 . 16269 1 28 . 1 1 12 12 GLU HG2 H 1 2.479 0.020 . 2 . . . . 10 GLU HG2 . 16269 1 29 . 1 1 12 12 GLU HG3 H 1 2.952 0.020 . 2 . . . . 10 GLU HG3 . 16269 1 30 . 1 1 12 12 GLU CA C 13 59.369 0.300 . 1 . . . . 10 GLU CA . 16269 1 31 . 1 1 12 12 GLU CB C 13 28.174 0.300 . 1 . . . . 10 GLU CB . 16269 1 32 . 1 1 12 12 GLU N N 15 116.657 0.300 . 1 . . . . 10 GLU N . 16269 1 33 . 1 1 13 13 THR H H 1 7.833 0.020 . 1 . . . . 11 THR H . 16269 1 34 . 1 1 13 13 THR HA H 1 4.067 0.020 . 1 . . . . 11 THR HA . 16269 1 35 . 1 1 13 13 THR HB H 1 3.487 0.020 . 1 . . . . 11 THR HB . 16269 1 36 . 1 1 13 13 THR HG21 H 1 0.955 0.020 . . . . . . 11 THR QG2 . 16269 1 37 . 1 1 13 13 THR HG22 H 1 0.955 0.020 . . . . . . 11 THR QG2 . 16269 1 38 . 1 1 13 13 THR HG23 H 1 0.955 0.020 . . . . . . 11 THR QG2 . 16269 1 39 . 1 1 13 13 THR CA C 13 66.971 0.300 . 1 . . . . 11 THR CA . 16269 1 40 . 1 1 13 13 THR CB C 13 67.115 0.300 . 1 . . . . 11 THR CB . 16269 1 41 . 1 1 13 13 THR CG2 C 13 21.191 0.300 . 1 . . . . 11 THR CG2 . 16269 1 42 . 1 1 13 13 THR N N 15 116.513 0.300 . 1 . . . . 11 THR N . 16269 1 43 . 1 1 14 14 ALA H H 1 8.112 0.020 . 1 . . . . 12 ALA H . 16269 1 44 . 1 1 14 14 ALA HA H 1 3.872 0.020 . 1 . . . . 12 ALA HA . 16269 1 45 . 1 1 14 14 ALA HB1 H 1 1.395 0.020 . . . . . . 12 ALA QB . 16269 1 46 . 1 1 14 14 ALA HB2 H 1 1.395 0.020 . . . . . . 12 ALA QB . 16269 1 47 . 1 1 14 14 ALA HB3 H 1 1.395 0.020 . . . . . . 12 ALA QB . 16269 1 48 . 1 1 14 14 ALA CA C 13 54.942 0.300 . 1 . . . . 12 ALA CA . 16269 1 49 . 1 1 14 14 ALA CB C 13 17.634 0.300 . 1 . . . . 12 ALA CB . 16269 1 50 . 1 1 14 14 ALA N N 15 119.623 0.300 . 1 . . . . 12 ALA N . 16269 1 51 . 1 1 15 15 LEU H H 1 8.156 0.020 . 1 . . . . 13 LEU H . 16269 1 52 . 1 1 15 15 LEU HA H 1 4.130 0.020 . 1 . . . . 13 LEU HA . 16269 1 53 . 1 1 15 15 LEU HB2 H 1 1.676 0.020 . 2 . . . . 13 LEU HB2 . 16269 1 54 . 1 1 15 15 LEU HB3 H 1 1.755 0.020 . 2 . . . . 13 LEU HB3 . 16269 1 55 . 1 1 15 15 LEU HD11 H 1 0.870 0.020 . . . . . . 13 LEU QD1 . 16269 1 56 . 1 1 15 15 LEU HD12 H 1 0.870 0.020 . . . . . . 13 LEU QD1 . 16269 1 57 . 1 1 15 15 LEU HD13 H 1 0.870 0.020 . . . . . . 13 LEU QD1 . 16269 1 58 . 1 1 15 15 LEU HD21 H 1 0.898 0.020 . . . . . . 13 LEU QD2 . 16269 1 59 . 1 1 15 15 LEU HD22 H 1 0.898 0.020 . . . . . . 13 LEU QD2 . 16269 1 60 . 1 1 15 15 LEU HD23 H 1 0.898 0.020 . . . . . . 13 LEU QD2 . 16269 1 61 . 1 1 15 15 LEU HG H 1 1.637 0.020 . 1 . . . . 13 LEU HG . 16269 1 62 . 1 1 15 15 LEU CA C 13 57.198 0.300 . 1 . . . . 13 LEU CA . 16269 1 63 . 1 1 15 15 LEU CB C 13 41.250 0.300 . 1 . . . . 13 LEU CB . 16269 1 64 . 1 1 15 15 LEU CD1 C 13 24.200 0.300 . 2 . . . . 13 LEU CD1 . 16269 1 65 . 1 1 15 15 LEU CG C 13 26.261 0.300 . 1 . . . . 13 LEU CG . 16269 1 66 . 1 1 15 15 LEU N N 15 117.934 0.300 . 1 . . . . 13 LEU N . 16269 1 67 . 1 1 16 16 ARG H H 1 7.954 0.020 . 1 . . . . 14 ARG H . 16269 1 68 . 1 1 16 16 ARG HA H 1 3.779 0.020 . 1 . . . . 14 ARG HA . 16269 1 69 . 1 1 16 16 ARG HB2 H 1 1.761 0.020 . 2 . . . . 14 ARG HB2 . 16269 1 70 . 1 1 16 16 ARG HB3 H 1 2.021 0.020 . 2 . . . . 14 ARG HB3 . 16269 1 71 . 1 1 16 16 ARG HG2 H 1 1.624 0.020 . 2 . . . . 14 ARG QG . 16269 1 72 . 1 1 16 16 ARG HG3 H 1 1.624 0.020 . 2 . . . . 14 ARG QG . 16269 1 73 . 1 1 16 16 ARG CA C 13 59.610 0.300 . 1 . . . . 14 ARG CA . 16269 1 74 . 1 1 16 16 ARG CB C 13 30.238 0.300 . 1 . . . . 14 ARG CB . 16269 1 75 . 1 1 16 16 ARG CG C 13 27.084 0.300 . 1 . . . . 14 ARG CG . 16269 1 76 . 1 1 16 16 ARG N N 15 115.845 0.300 . 1 . . . . 14 ARG N . 16269 1 77 . 1 1 17 17 ILE H H 1 7.762 0.020 . 1 . . . . 15 ILE H . 16269 1 78 . 1 1 17 17 ILE HA H 1 3.424 0.020 . 1 . . . . 15 ILE HA . 16269 1 79 . 1 1 17 17 ILE HB H 1 1.790 0.020 . 1 . . . . 15 ILE HB . 16269 1 80 . 1 1 17 17 ILE HD11 H 1 0.701 0.020 . . . . . . 15 ILE QD1 . 16269 1 81 . 1 1 17 17 ILE HD12 H 1 0.701 0.020 . . . . . . 15 ILE QD1 . 16269 1 82 . 1 1 17 17 ILE HD13 H 1 0.701 0.020 . . . . . . 15 ILE QD1 . 16269 1 83 . 1 1 17 17 ILE HG12 H 1 1.713 0.020 . . . . . . 15 ILE QG1 . 16269 1 84 . 1 1 17 17 ILE HG13 H 1 1.713 0.020 . . . . . . 15 ILE QG1 . 16269 1 85 . 1 1 17 17 ILE HG21 H 1 0.754 0.020 . . . . . . 15 ILE QG2 . 16269 1 86 . 1 1 17 17 ILE HG22 H 1 0.754 0.020 . . . . . . 15 ILE QG2 . 16269 1 87 . 1 1 17 17 ILE HG23 H 1 0.754 0.020 . . . . . . 15 ILE QG2 . 16269 1 88 . 1 1 17 17 ILE CA C 13 65.109 0.300 . 1 . . . . 15 ILE CA . 16269 1 89 . 1 1 17 17 ILE CB C 13 37.792 0.300 . 1 . . . . 15 ILE CB . 16269 1 90 . 1 1 17 17 ILE CG2 C 13 16.525 0.300 . 1 . . . . 15 ILE CG2 . 16269 1 91 . 1 1 17 17 ILE N N 15 115.225 0.300 . 1 . . . . 15 ILE N . 16269 1 92 . 1 1 18 18 ALA H H 1 7.974 0.020 . 1 . . . . 16 ALA H . 16269 1 93 . 1 1 18 18 ALA HA H 1 4.004 0.020 . 1 . . . . 16 ALA HA . 16269 1 94 . 1 1 18 18 ALA HB1 H 1 1.478 0.020 . . . . . . 16 ALA QB . 16269 1 95 . 1 1 18 18 ALA HB2 H 1 1.478 0.020 . . . . . . 16 ALA QB . 16269 1 96 . 1 1 18 18 ALA HB3 H 1 1.478 0.020 . . . . . . 16 ALA QB . 16269 1 97 . 1 1 18 18 ALA CA C 13 54.756 0.300 . 1 . . . . 16 ALA CA . 16269 1 98 . 1 1 18 18 ALA CB C 13 17.335 0.300 . 1 . . . . 16 ALA CB . 16269 1 99 . 1 1 18 18 ALA N N 15 119.079 0.300 . 1 . . . . 16 ALA N . 16269 1 100 . 1 1 19 19 LEU H H 1 8.585 0.020 . 1 . . . . 17 LEU H . 16269 1 101 . 1 1 19 19 LEU HA H 1 4.008 0.020 . 1 . . . . 17 LEU HA . 16269 1 102 . 1 1 19 19 LEU HB2 H 1 1.855 0.020 . 2 . . . . 17 LEU HB2 . 16269 1 103 . 1 1 19 19 LEU HB3 H 1 1.412 0.020 . 2 . . . . 17 LEU HB3 . 16269 1 104 . 1 1 19 19 LEU HD11 H 1 0.848 0.020 . . . . . . 17 LEU QD1 . 16269 1 105 . 1 1 19 19 LEU HD12 H 1 0.848 0.020 . . . . . . 17 LEU QD1 . 16269 1 106 . 1 1 19 19 LEU HD13 H 1 0.848 0.020 . . . . . . 17 LEU QD1 . 16269 1 107 . 1 1 19 19 LEU HD21 H 1 0.802 0.020 . . . . . . 17 LEU QD2 . 16269 1 108 . 1 1 19 19 LEU HD22 H 1 0.802 0.020 . . . . . . 17 LEU QD2 . 16269 1 109 . 1 1 19 19 LEU HD23 H 1 0.802 0.020 . . . . . . 17 LEU QD2 . 16269 1 110 . 1 1 19 19 LEU HG H 1 1.793 0.020 . 1 . . . . 17 LEU HG . 16269 1 111 . 1 1 19 19 LEU CA C 13 56.764 0.300 . 1 . . . . 17 LEU CA . 16269 1 112 . 1 1 19 19 LEU CB C 13 41.152 0.300 . 1 . . . . 17 LEU CB . 16269 1 113 . 1 1 19 19 LEU CD1 C 13 24.675 0.300 . 2 . . . . 17 LEU CD1 . 16269 1 114 . 1 1 19 19 LEU CD2 C 13 22.062 0.300 . 2 . . . . 17 LEU CD2 . 16269 1 115 . 1 1 19 19 LEU CG C 13 26.287 0.300 . 1 . . . . 17 LEU CG . 16269 1 116 . 1 1 19 19 LEU N N 15 116.740 0.300 . 1 . . . . 17 LEU N . 16269 1 117 . 1 1 20 20 ALA H H 1 8.625 0.020 . 1 . . . . 18 ALA H . 16269 1 118 . 1 1 20 20 ALA HA H 1 3.938 0.020 . 1 . . . . 18 ALA HA . 16269 1 119 . 1 1 20 20 ALA HB1 H 1 1.348 0.020 . . . . . . 18 ALA QB . 16269 1 120 . 1 1 20 20 ALA HB2 H 1 1.348 0.020 . . . . . . 18 ALA QB . 16269 1 121 . 1 1 20 20 ALA HB3 H 1 1.348 0.020 . . . . . . 18 ALA QB . 16269 1 122 . 1 1 20 20 ALA CA C 13 54.556 0.300 . 1 . . . . 18 ALA CA . 16269 1 123 . 1 1 20 20 ALA CB C 13 17.993 0.300 . 1 . . . . 18 ALA CB . 16269 1 124 . 1 1 20 20 ALA N N 15 122.630 0.300 . 1 . . . . 18 ALA N . 16269 1 125 . 1 1 21 21 ALA H H 1 8.115 0.020 . 1 . . . . 19 ALA H . 16269 1 126 . 1 1 21 21 ALA HA H 1 3.802 0.020 . 1 . . . . 19 ALA HA . 16269 1 127 . 1 1 21 21 ALA HB1 H 1 1.326 0.020 . . . . . . 19 ALA QB . 16269 1 128 . 1 1 21 21 ALA HB2 H 1 1.326 0.020 . . . . . . 19 ALA QB . 16269 1 129 . 1 1 21 21 ALA HB3 H 1 1.326 0.020 . . . . . . 19 ALA QB . 16269 1 130 . 1 1 21 21 ALA CA C 13 54.742 0.300 . 1 . . . . 19 ALA CA . 16269 1 131 . 1 1 21 21 ALA CB C 13 16.591 0.300 . 1 . . . . 19 ALA CB . 16269 1 132 . 1 1 21 21 ALA N N 15 115.272 0.300 . 1 . . . . 19 ALA N . 16269 1 133 . 1 1 22 22 ARG H H 1 7.371 0.020 . 1 . . . . 20 ARG H . 16269 1 134 . 1 1 22 22 ARG HA H 1 4.008 0.020 . 1 . . . . 20 ARG HA . 16269 1 135 . 1 1 22 22 ARG HB2 H 1 1.926 0.020 . 2 . . . . 20 ARG HB2 . 16269 1 136 . 1 1 22 22 ARG HB3 H 1 1.982 0.020 . 2 . . . . 20 ARG HB3 . 16269 1 137 . 1 1 22 22 ARG HD2 H 1 3.167 0.020 . 2 . . . . 20 ARG HD2 . 16269 1 138 . 1 1 22 22 ARG HD3 H 1 3.210 0.020 . 2 . . . . 20 ARG HD3 . 16269 1 139 . 1 1 22 22 ARG HG2 H 1 1.863 0.020 . 2 . . . . 20 ARG HG2 . 16269 1 140 . 1 1 22 22 ARG HG3 H 1 1.698 0.020 . 2 . . . . 20 ARG HG3 . 16269 1 141 . 1 1 22 22 ARG CA C 13 57.439 0.300 . 1 . . . . 20 ARG CA . 16269 1 142 . 1 1 22 22 ARG CB C 13 29.314 0.300 . 1 . . . . 20 ARG CB . 16269 1 143 . 1 1 22 22 ARG CD C 13 43.072 0.300 . 1 . . . . 20 ARG CD . 16269 1 144 . 1 1 22 22 ARG CG C 13 26.787 0.300 . 1 . . . . 20 ARG CG . 16269 1 145 . 1 1 22 22 ARG N N 15 114.002 0.300 . 1 . . . . 20 ARG N . 16269 1 146 . 1 1 23 23 ALA H H 1 7.299 0.020 . 1 . . . . 21 ALA H . 16269 1 147 . 1 1 23 23 ALA HA H 1 4.189 0.020 . 1 . . . . 21 ALA HA . 16269 1 148 . 1 1 23 23 ALA HB1 H 1 1.438 0.020 . . . . . . 21 ALA QB . 16269 1 149 . 1 1 23 23 ALA HB2 H 1 1.438 0.020 . . . . . . 21 ALA QB . 16269 1 150 . 1 1 23 23 ALA HB3 H 1 1.438 0.020 . . . . . . 21 ALA QB . 16269 1 151 . 1 1 23 23 ALA CA C 13 52.000 0.300 . 1 . . . . 21 ALA CA . 16269 1 152 . 1 1 23 23 ALA CB C 13 18.101 0.300 . 1 . . . . 21 ALA CB . 16269 1 153 . 1 1 23 23 ALA N N 15 117.797 0.300 . 1 . . . . 21 ALA N . 16269 1 154 . 1 1 24 24 LEU H H 1 7.211 0.020 . 1 . . . . 22 LEU H . 16269 1 155 . 1 1 24 24 LEU HA H 1 4.660 0.020 . 1 . . . . 22 LEU HA . 16269 1 156 . 1 1 24 24 LEU HB2 H 1 1.345 0.020 . 2 . . . . 22 LEU HB2 . 16269 1 157 . 1 1 24 24 LEU HB3 H 1 1.976 0.020 . 2 . . . . 22 LEU HB3 . 16269 1 158 . 1 1 24 24 LEU HD11 H 1 0.754 0.020 . . . . . . 22 LEU QD1 . 16269 1 159 . 1 1 24 24 LEU HD12 H 1 0.754 0.020 . . . . . . 22 LEU QD1 . 16269 1 160 . 1 1 24 24 LEU HD13 H 1 0.754 0.020 . . . . . . 22 LEU QD1 . 16269 1 161 . 1 1 24 24 LEU HD21 H 1 0.666 0.020 . . . . . . 22 LEU QD2 . 16269 1 162 . 1 1 24 24 LEU HD22 H 1 0.666 0.020 . . . . . . 22 LEU QD2 . 16269 1 163 . 1 1 24 24 LEU HD23 H 1 0.666 0.020 . . . . . . 22 LEU QD2 . 16269 1 164 . 1 1 24 24 LEU HG H 1 1.757 0.020 . 1 . . . . 22 LEU HG . 16269 1 165 . 1 1 24 24 LEU CA C 13 50.334 0.300 . 1 . . . . 22 LEU CA . 16269 1 166 . 1 1 24 24 LEU CB C 13 41.552 0.300 . 1 . . . . 22 LEU CB . 16269 1 167 . 1 1 24 24 LEU CD1 C 13 25.942 0.300 . 2 . . . . 22 LEU CD1 . 16269 1 168 . 1 1 24 24 LEU CD2 C 13 23.315 0.300 . 2 . . . . 22 LEU CD2 . 16269 1 169 . 1 1 24 24 LEU CG C 13 24.704 0.300 . 1 . . . . 22 LEU CG . 16269 1 170 . 1 1 24 24 LEU N N 15 116.774 0.300 . 1 . . . . 22 LEU N . 16269 1 171 . 1 1 25 25 PRO HA H 1 4.361 0.020 . 1 . . . . 23 PRO HA . 16269 1 172 . 1 1 25 25 PRO HB2 H 1 1.930 0.020 . 2 . . . . 23 PRO HB2 . 16269 1 173 . 1 1 25 25 PRO HB3 H 1 2.244 0.020 . 2 . . . . 23 PRO HB3 . 16269 1 174 . 1 1 25 25 PRO HD2 H 1 3.551 0.020 . 2 . . . . 23 PRO HD2 . 16269 1 175 . 1 1 25 25 PRO HD3 H 1 3.948 0.020 . 2 . . . . 23 PRO HD3 . 16269 1 176 . 1 1 25 25 PRO HG2 H 1 2.002 0.020 . 2 . . . . 23 PRO HG2 . 16269 1 177 . 1 1 25 25 PRO HG3 H 1 2.121 0.020 . 2 . . . . 23 PRO HG3 . 16269 1 178 . 1 1 25 25 PRO CA C 13 63.214 0.300 . 1 . . . . 23 PRO CA . 16269 1 179 . 1 1 25 25 PRO CB C 13 30.918 0.300 . 1 . . . . 23 PRO CB . 16269 1 180 . 1 1 25 25 PRO CD C 13 49.947 0.300 . 1 . . . . 23 PRO CD . 16269 1 181 . 1 1 25 25 PRO CG C 13 26.937 0.300 . 1 . . . . 23 PRO CG . 16269 1 182 . 1 1 26 26 GLY H H 1 8.857 0.020 . 1 . . . . 24 GLY H . 16269 1 183 . 1 1 26 26 GLY HA2 H 1 4.057 0.020 . 2 . . . . 24 GLY HA2 . 16269 1 184 . 1 1 26 26 GLY HA3 H 1 3.805 0.020 . 2 . . . . 24 GLY HA3 . 16269 1 185 . 1 1 26 26 GLY CA C 13 45.382 0.300 . 1 . . . . 24 GLY CA . 16269 1 186 . 1 1 26 26 GLY N N 15 110.609 0.300 . 1 . . . . 24 GLY N . 16269 1 187 . 1 1 27 27 THR H H 1 7.782 0.020 . 1 . . . . 25 THR H . 16269 1 188 . 1 1 27 27 THR HA H 1 4.757 0.020 . 1 . . . . 25 THR HA . 16269 1 189 . 1 1 27 27 THR HB H 1 3.958 0.020 . 1 . . . . 25 THR HB . 16269 1 190 . 1 1 27 27 THR HG21 H 1 1.148 0.020 . . . . . . 25 THR QG2 . 16269 1 191 . 1 1 27 27 THR HG22 H 1 1.148 0.020 . . . . . . 25 THR QG2 . 16269 1 192 . 1 1 27 27 THR HG23 H 1 1.148 0.020 . . . . . . 25 THR QG2 . 16269 1 193 . 1 1 27 27 THR CA C 13 61.423 0.300 . 1 . . . . 25 THR CA . 16269 1 194 . 1 1 27 27 THR CB C 13 69.931 0.300 . 1 . . . . 25 THR CB . 16269 1 195 . 1 1 27 27 THR CG2 C 13 20.766 0.300 . 1 . . . . 25 THR CG2 . 16269 1 196 . 1 1 27 27 THR N N 15 115.540 0.300 . 1 . . . . 25 THR N . 16269 1 197 . 1 1 28 28 THR H H 1 8.417 0.020 . 1 . . . . 26 THR H . 16269 1 198 . 1 1 28 28 THR HA H 1 4.592 0.020 . 1 . . . . 26 THR HA . 16269 1 199 . 1 1 28 28 THR HB H 1 4.621 0.020 . 1 . . . . 26 THR HB . 16269 1 200 . 1 1 28 28 THR HG21 H 1 1.239 0.020 . . . . . . 26 THR QG2 . 16269 1 201 . 1 1 28 28 THR HG22 H 1 1.239 0.020 . . . . . . 26 THR QG2 . 16269 1 202 . 1 1 28 28 THR HG23 H 1 1.239 0.020 . . . . . . 26 THR QG2 . 16269 1 203 . 1 1 28 28 THR CA C 13 59.128 0.300 . 1 . . . . 26 THR CA . 16269 1 204 . 1 1 28 28 THR CB C 13 71.090 0.300 . 1 . . . . 26 THR CB . 16269 1 205 . 1 1 28 28 THR CG2 C 13 21.087 0.300 . 1 . . . . 26 THR CG2 . 16269 1 206 . 1 1 28 28 THR N N 15 113.453 0.300 . 1 . . . . 26 THR N . 16269 1 207 . 1 1 29 29 VAL H H 1 8.837 0.020 . 1 . . . . 27 VAL H . 16269 1 208 . 1 1 29 29 VAL HA H 1 3.480 0.020 . 1 . . . . 27 VAL HA . 16269 1 209 . 1 1 29 29 VAL HB H 1 2.029 0.020 . 1 . . . . 27 VAL HB . 16269 1 210 . 1 1 29 29 VAL HG11 H 1 1.041 0.020 . . . . . . 27 VAL QG1 . 16269 1 211 . 1 1 29 29 VAL HG12 H 1 1.041 0.020 . . . . . . 27 VAL QG1 . 16269 1 212 . 1 1 29 29 VAL HG13 H 1 1.041 0.020 . . . . . . 27 VAL QG1 . 16269 1 213 . 1 1 29 29 VAL HG21 H 1 0.925 0.020 . . . . . . 27 VAL QG2 . 16269 1 214 . 1 1 29 29 VAL HG22 H 1 0.925 0.020 . . . . . . 27 VAL QG2 . 16269 1 215 . 1 1 29 29 VAL HG23 H 1 0.925 0.020 . . . . . . 27 VAL QG2 . 16269 1 216 . 1 1 29 29 VAL CA C 13 66.157 0.300 . 1 . . . . 27 VAL CA . 16269 1 217 . 1 1 29 29 VAL CB C 13 31.049 0.300 . 1 . . . . 27 VAL CB . 16269 1 218 . 1 1 29 29 VAL CG1 C 13 22.450 0.300 . 2 . . . . 27 VAL CG1 . 16269 1 219 . 1 1 29 29 VAL CG2 C 13 22.700 0.300 . 2 . . . . 27 VAL CG2 . 16269 1 220 . 1 1 29 29 VAL N N 15 118.600 0.300 . 1 . . . . 27 VAL N . 16269 1 221 . 1 1 30 30 GLY H H 1 8.470 0.020 . 1 . . . . 28 GLY H . 16269 1 222 . 1 1 30 30 GLY HA2 H 1 3.718 0.020 . 2 . . . . 28 GLY HA2 . 16269 1 223 . 1 1 30 30 GLY HA3 H 1 3.853 0.020 . 2 . . . . 28 GLY HA3 . 16269 1 224 . 1 1 30 30 GLY CA C 13 46.490 0.300 . 1 . . . . 28 GLY CA . 16269 1 225 . 1 1 30 30 GLY N N 15 120.590 0.300 . 1 . . . . 28 GLY N . 16269 1 226 . 1 1 31 31 GLN H H 1 7.853 0.020 . 1 . . . . 29 GLN H . 16269 1 227 . 1 1 31 31 GLN HA H 1 4.074 0.020 . 1 . . . . 29 GLN HA . 16269 1 228 . 1 1 31 31 GLN HB2 H 1 1.939 0.020 . 2 . . . . 29 GLN HB2 . 16269 1 229 . 1 1 31 31 GLN HB3 H 1 2.291 0.020 . 2 . . . . 29 GLN HB3 . 16269 1 230 . 1 1 31 31 GLN HG2 H 1 2.423 0.020 . 2 . . . . 29 GLN HG2 . 16269 1 231 . 1 1 31 31 GLN CA C 13 57.777 0.300 . 1 . . . . 29 GLN CA . 16269 1 232 . 1 1 31 31 GLN CB C 13 28.376 0.300 . 1 . . . . 29 GLN CB . 16269 1 233 . 1 1 31 31 GLN CG C 13 33.595 0.300 . 1 . . . . 29 GLN CG . 16269 1 234 . 1 1 31 31 GLN N N 15 119.532 0.300 . 1 . . . . 29 GLN N . 16269 1 235 . 1 1 32 32 LEU H H 1 8.190 0.020 . 1 . . . . 30 LEU H . 16269 1 236 . 1 1 32 32 LEU HA H 1 4.076 0.020 . 1 . . . . 30 LEU HA . 16269 1 237 . 1 1 32 32 LEU HB2 H 1 1.267 0.020 . 2 . . . . 30 LEU HB2 . 16269 1 238 . 1 1 32 32 LEU HB3 H 1 1.694 0.020 . 2 . . . . 30 LEU HB3 . 16269 1 239 . 1 1 32 32 LEU HG H 1 1.993 0.020 . 1 . . . . 30 LEU HG . 16269 1 240 . 1 1 32 32 LEU CA C 13 56.938 0.300 . 1 . . . . 30 LEU CA . 16269 1 241 . 1 1 32 32 LEU CB C 13 40.292 0.300 . 1 . . . . 30 LEU CB . 16269 1 242 . 1 1 32 32 LEU N N 15 118.586 0.300 . 1 . . . . 30 LEU N . 16269 1 243 . 1 1 33 33 LEU H H 1 8.881 0.020 . 1 . . . . 31 LEU H . 16269 1 244 . 1 1 33 33 LEU HA H 1 3.692 0.020 . 1 . . . . 31 LEU HA . 16269 1 245 . 1 1 33 33 LEU CA C 13 57.970 0.300 . 1 . . . . 31 LEU CA . 16269 1 246 . 1 1 33 33 LEU N N 15 117.497 0.300 . 1 . . . . 31 LEU N . 16269 1 247 . 1 1 34 34 GLU H H 1 7.500 0.020 . 1 . . . . 32 GLU H . 16269 1 248 . 1 1 34 34 GLU HA H 1 4.128 0.020 . 1 . . . . 32 GLU HA . 16269 1 249 . 1 1 34 34 GLU HB2 H 1 2.175 0.020 . 2 . . . . 32 GLU HB2 . 16269 1 250 . 1 1 34 34 GLU HB3 H 1 2.357 0.020 . 2 . . . . 32 GLU HB3 . 16269 1 251 . 1 1 34 34 GLU N N 15 115.487 0.300 . 1 . . . . 32 GLU N . 16269 1 252 . 1 1 35 35 ILE H H 1 7.704 0.020 . 1 . . . . 33 ILE H . 16269 1 253 . 1 1 35 35 ILE N N 15 117.389 0.300 . 1 . . . . 33 ILE N . 16269 1 254 . 1 1 36 36 LEU H H 1 8.623 0.020 . 1 . . . . 34 LEU H . 16269 1 255 . 1 1 36 36 LEU N N 15 116.909 0.300 . 1 . . . . 34 LEU N . 16269 1 256 . 1 1 41 41 GLU H H 1 8.033 0.020 . 1 . . . . 39 GLU H . 16269 1 257 . 1 1 41 41 GLU HA H 1 4.385 0.020 . 1 . . . . 39 GLU HA . 16269 1 258 . 1 1 41 41 GLU HB2 H 1 1.797 0.020 . 2 . . . . 39 GLU HB2 . 16269 1 259 . 1 1 41 41 GLU HB3 H 1 2.025 0.020 . 2 . . . . 39 GLU HB3 . 16269 1 260 . 1 1 41 41 GLU HG2 H 1 2.344 0.020 . 2 . . . . 39 GLU QG . 16269 1 261 . 1 1 41 41 GLU HG3 H 1 2.344 0.020 . 2 . . . . 39 GLU QG . 16269 1 262 . 1 1 41 41 GLU CA C 13 52.386 0.300 . 1 . . . . 39 GLU CA . 16269 1 263 . 1 1 41 41 GLU CB C 13 29.600 0.300 . 1 . . . . 39 GLU CB . 16269 1 264 . 1 1 41 41 GLU CG C 13 32.554 0.300 . 1 . . . . 39 GLU CG . 16269 1 265 . 1 1 41 41 GLU N N 15 116.587 0.300 . 1 . . . . 39 GLU N . 16269 1 266 . 1 1 42 42 GLY H H 1 8.184 0.020 . 1 . . . . 40 GLY H . 16269 1 267 . 1 1 42 42 GLY HA2 H 1 4.196 0.020 . 2 . . . . 40 GLY HA2 . 16269 1 268 . 1 1 42 42 GLY HA3 H 1 4.335 0.020 . 2 . . . . 40 GLY HA3 . 16269 1 269 . 1 1 42 42 GLY CA C 13 43.414 0.300 . 1 . . . . 40 GLY CA . 16269 1 270 . 1 1 42 42 GLY N N 15 111.448 0.300 . 1 . . . . 40 GLY N . 16269 1 271 . 1 1 44 44 LEU HA H 1 3.771 0.020 . 1 . . . . 42 LEU HA . 16269 1 272 . 1 1 44 44 LEU CA C 13 57.745 0.300 . 1 . . . . 42 LEU CA . 16269 1 273 . 1 1 45 45 THR H H 1 8.243 0.020 . 1 . . . . 43 THR H . 16269 1 274 . 1 1 45 45 THR HA H 1 4.733 0.020 . 1 . . . . 43 THR HA . 16269 1 275 . 1 1 45 45 THR HB H 1 4.670 0.020 . 1 . . . . 43 THR HB . 16269 1 276 . 1 1 45 45 THR HG1 H 1 5.916 0.020 . 1 . . . . 43 THR HG1 . 16269 1 277 . 1 1 45 45 THR HG21 H 1 1.143 0.020 . . . . . . 43 THR QG2 . 16269 1 278 . 1 1 45 45 THR HG22 H 1 1.143 0.020 . . . . . . 43 THR QG2 . 16269 1 279 . 1 1 45 45 THR HG23 H 1 1.143 0.020 . . . . . . 43 THR QG2 . 16269 1 280 . 1 1 45 45 THR CA C 13 58.308 0.300 . 1 . . . . 43 THR CA . 16269 1 281 . 1 1 45 45 THR CB C 13 72.855 0.300 . 1 . . . . 43 THR CB . 16269 1 282 . 1 1 45 45 THR CG2 C 13 20.835 0.300 . 1 . . . . 43 THR CG2 . 16269 1 283 . 1 1 45 45 THR N N 15 114.252 0.300 . 1 . . . . 43 THR N . 16269 1 284 . 1 1 46 46 GLU H H 1 9.650 0.020 . 1 . . . . 44 GLU H . 16269 1 285 . 1 1 46 46 GLU HA H 1 3.784 0.020 . 1 . . . . 44 GLU HA . 16269 1 286 . 1 1 46 46 GLU HB2 H 1 1.994 0.020 . 2 . . . . 44 GLU HB2 . 16269 1 287 . 1 1 46 46 GLU HG2 H 1 2.236 0.020 . 2 . . . . 44 GLU HG2 . 16269 1 288 . 1 1 46 46 GLU CA C 13 60.446 0.300 . 1 . . . . 44 GLU CA . 16269 1 289 . 1 1 46 46 GLU CB C 13 28.185 0.300 . 1 . . . . 44 GLU CB . 16269 1 290 . 1 1 46 46 GLU N N 15 118.764 0.300 . 1 . . . . 44 GLU N . 16269 1 291 . 1 1 47 47 GLU H H 1 8.059 0.020 . 1 . . . . 45 GLU H . 16269 1 292 . 1 1 47 47 GLU HA H 1 4.096 0.020 . 1 . . . . 45 GLU HA . 16269 1 293 . 1 1 47 47 GLU HB2 H 1 1.872 0.020 . 2 . . . . 45 GLU HB2 . 16269 1 294 . 1 1 47 47 GLU HB3 H 1 1.956 0.020 . 2 . . . . 45 GLU HB3 . 16269 1 295 . 1 1 47 47 GLU HG2 H 1 2.218 0.020 . 2 . . . . 45 GLU HG2 . 16269 1 296 . 1 1 47 47 GLU CA C 13 58.557 0.300 . 1 . . . . 45 GLU CA . 16269 1 297 . 1 1 47 47 GLU CB C 13 29.233 0.300 . 1 . . . . 45 GLU CB . 16269 1 298 . 1 1 47 47 GLU N N 15 112.863 0.300 . 1 . . . . 45 GLU N . 16269 1 299 . 1 1 48 48 SER H H 1 8.627 0.020 . 1 . . . . 46 SER H . 16269 1 300 . 1 1 48 48 SER HA H 1 4.207 0.020 . 1 . . . . 46 SER HA . 16269 1 301 . 1 1 48 48 SER HB2 H 1 4.038 0.020 . 2 . . . . 46 SER HB2 . 16269 1 302 . 1 1 48 48 SER HG H 1 5.179 0.020 . 1 . . . . 46 SER HG . 16269 1 303 . 1 1 48 48 SER CA C 13 59.870 0.300 . 1 . . . . 46 SER CA . 16269 1 304 . 1 1 48 48 SER CB C 13 62.393 0.300 . 1 . . . . 46 SER CB . 16269 1 305 . 1 1 48 48 SER N N 15 117.017 0.300 . 1 . . . . 46 SER N . 16269 1 306 . 1 1 49 49 LEU H H 1 8.270 0.020 . 1 . . . . 47 LEU H . 16269 1 307 . 1 1 49 49 LEU HA H 1 4.136 0.020 . 1 . . . . 47 LEU HA . 16269 1 308 . 1 1 49 49 LEU HB2 H 1 1.692 0.020 . 2 . . . . 47 LEU HB2 . 16269 1 309 . 1 1 49 49 LEU HB3 H 1 1.943 0.020 . 2 . . . . 47 LEU HB3 . 16269 1 310 . 1 1 49 49 LEU HD11 H 1 0.879 0.020 . . . . . . 47 LEU QD1 . 16269 1 311 . 1 1 49 49 LEU HD12 H 1 0.879 0.020 . . . . . . 47 LEU QD1 . 16269 1 312 . 1 1 49 49 LEU HD13 H 1 0.879 0.020 . . . . . . 47 LEU QD1 . 16269 1 313 . 1 1 49 49 LEU CA C 13 57.198 0.300 . 1 . . . . 47 LEU CA . 16269 1 314 . 1 1 49 49 LEU CB C 13 41.342 0.300 . 1 . . . . 47 LEU CB . 16269 1 315 . 1 1 49 49 LEU CD1 C 13 19.748 0.300 . 2 . . . . 47 LEU CD1 . 16269 1 316 . 1 1 49 49 LEU N N 15 121.350 0.300 . 1 . . . . 47 LEU N . 16269 1 317 . 1 1 50 50 GLN H H 1 7.126 0.020 . 1 . . . . 48 GLN H . 16269 1 318 . 1 1 50 50 GLN HA H 1 3.797 0.020 . 1 . . . . 48 GLN HA . 16269 1 319 . 1 1 50 50 GLN HB2 H 1 1.804 0.020 . 2 . . . . 48 GLN HB2 . 16269 1 320 . 1 1 50 50 GLN HB3 H 1 1.994 0.020 . 2 . . . . 48 GLN HB3 . 16269 1 321 . 1 1 50 50 GLN HG2 H 1 2.284 0.020 . 2 . . . . 48 GLN HG2 . 16269 1 322 . 1 1 50 50 GLN HG3 H 1 2.590 0.020 . 2 . . . . 48 GLN HG3 . 16269 1 323 . 1 1 50 50 GLN CA C 13 56.668 0.300 . 1 . . . . 48 GLN CA . 16269 1 324 . 1 1 50 50 GLN CB C 13 26.856 0.300 . 1 . . . . 48 GLN CB . 16269 1 325 . 1 1 50 50 GLN CG C 13 34.173 0.300 . 1 . . . . 48 GLN CG . 16269 1 326 . 1 1 50 50 GLN N N 15 110.958 0.300 . 1 . . . . 48 GLN N . 16269 1 327 . 1 1 51 51 GLY H H 1 7.472 0.020 . 1 . . . . 49 GLY H . 16269 1 328 . 1 1 51 51 GLY HA2 H 1 4.165 0.020 . 2 . . . . 49 GLY HA2 . 16269 1 329 . 1 1 51 51 GLY HA3 H 1 3.737 0.020 . 2 . . . . 49 GLY HA3 . 16269 1 330 . 1 1 51 51 GLY CA C 13 44.185 0.300 . 1 . . . . 49 GLY CA . 16269 1 331 . 1 1 51 51 GLY N N 15 117.093 0.300 . 1 . . . . 49 GLY N . 16269 1 332 . 1 1 52 52 VAL H H 1 7.385 0.020 . 1 . . . . 50 VAL H . 16269 1 333 . 1 1 52 52 VAL HA H 1 4.248 0.020 . 1 . . . . 50 VAL HA . 16269 1 334 . 1 1 52 52 VAL HB H 1 2.271 0.020 . 1 . . . . 50 VAL HB . 16269 1 335 . 1 1 52 52 VAL HG11 H 1 0.951 0.020 . . . . . . 50 VAL QG1 . 16269 1 336 . 1 1 52 52 VAL HG12 H 1 0.951 0.020 . . . . . . 50 VAL QG1 . 16269 1 337 . 1 1 52 52 VAL HG13 H 1 0.951 0.020 . . . . . . 50 VAL QG1 . 16269 1 338 . 1 1 52 52 VAL HG21 H 1 1.072 0.020 . . . . . . 50 VAL QG2 . 16269 1 339 . 1 1 52 52 VAL HG22 H 1 1.072 0.020 . . . . . . 50 VAL QG2 . 16269 1 340 . 1 1 52 52 VAL HG23 H 1 1.072 0.020 . . . . . . 50 VAL QG2 . 16269 1 341 . 1 1 52 52 VAL CA C 13 61.877 0.300 . 1 . . . . 50 VAL CA . 16269 1 342 . 1 1 52 52 VAL CB C 13 31.907 0.300 . 1 . . . . 50 VAL CB . 16269 1 343 . 1 1 52 52 VAL CG1 C 13 20.827 0.300 . 2 . . . . 50 VAL CG1 . 16269 1 344 . 1 1 52 52 VAL CG2 C 13 22.519 0.300 . 2 . . . . 50 VAL CG2 . 16269 1 345 . 1 1 52 52 VAL N N 15 118.822 0.300 . 1 . . . . 50 VAL N . 16269 1 346 . 1 1 53 53 SER H H 1 9.320 0.020 . 1 . . . . 51 SER H . 16269 1 347 . 1 1 53 53 SER HA H 1 5.224 0.020 . 1 . . . . 51 SER HA . 16269 1 348 . 1 1 53 53 SER HB2 H 1 4.056 0.020 . 2 . . . . 51 SER HB2 . 16269 1 349 . 1 1 53 53 SER HB3 H 1 4.468 0.020 . 2 . . . . 51 SER HB3 . 16269 1 350 . 1 1 53 53 SER CA C 13 55.385 0.300 . 1 . . . . 51 SER CA . 16269 1 351 . 1 1 53 53 SER CB C 13 67.365 0.300 . 1 . . . . 51 SER CB . 16269 1 352 . 1 1 53 53 SER N N 15 119.913 0.300 . 1 . . . . 51 SER N . 16269 1 353 . 1 1 54 54 VAL H H 1 9.043 0.020 . 1 . . . . 52 VAL H . 16269 1 354 . 1 1 54 54 VAL HA H 1 3.468 0.020 . 1 . . . . 52 VAL HA . 16269 1 355 . 1 1 54 54 VAL HB H 1 2.069 0.020 . 1 . . . . 52 VAL HB . 16269 1 356 . 1 1 54 54 VAL HG11 H 1 0.950 0.020 . . . . . . 52 VAL QG1 . 16269 1 357 . 1 1 54 54 VAL HG12 H 1 0.950 0.020 . . . . . . 52 VAL QG1 . 16269 1 358 . 1 1 54 54 VAL HG13 H 1 0.950 0.020 . . . . . . 52 VAL QG1 . 16269 1 359 . 1 1 54 54 VAL HG21 H 1 0.904 0.020 . . . . . . 52 VAL QG2 . 16269 1 360 . 1 1 54 54 VAL HG22 H 1 0.904 0.020 . . . . . . 52 VAL QG2 . 16269 1 361 . 1 1 54 54 VAL HG23 H 1 0.904 0.020 . . . . . . 52 VAL QG2 . 16269 1 362 . 1 1 54 54 VAL CA C 13 66.386 0.300 . 1 . . . . 52 VAL CA . 16269 1 363 . 1 1 54 54 VAL CB C 13 31.010 0.300 . 1 . . . . 52 VAL CB . 16269 1 364 . 1 1 54 54 VAL CG1 C 13 22.490 0.300 . 2 . . . . 52 VAL CG1 . 16269 1 365 . 1 1 54 54 VAL N N 15 117.169 0.300 . 1 . . . . 52 VAL N . 16269 1 366 . 1 1 55 55 THR H H 1 7.871 0.020 . 1 . . . . 53 THR H . 16269 1 367 . 1 1 55 55 THR HA H 1 3.750 0.020 . 1 . . . . 53 THR HA . 16269 1 368 . 1 1 55 55 THR HB H 1 4.040 0.020 . 1 . . . . 53 THR HB . 16269 1 369 . 1 1 55 55 THR HG21 H 1 1.214 0.020 . . . . . . 53 THR QG2 . 16269 1 370 . 1 1 55 55 THR HG22 H 1 1.214 0.020 . . . . . . 53 THR QG2 . 16269 1 371 . 1 1 55 55 THR HG23 H 1 1.214 0.020 . . . . . . 53 THR QG2 . 16269 1 372 . 1 1 55 55 THR CA C 13 66.315 0.300 . 1 . . . . 53 THR CA . 16269 1 373 . 1 1 55 55 THR CB C 13 67.858 0.300 . 1 . . . . 53 THR CB . 16269 1 374 . 1 1 55 55 THR CG2 C 13 21.556 0.300 . 1 . . . . 53 THR CG2 . 16269 1 375 . 1 1 55 55 THR N N 15 113.246 0.300 . 1 . . . . 53 THR N . 16269 1 376 . 1 1 56 56 ASP H H 1 7.739 0.020 . 1 . . . . 54 ASP H . 16269 1 377 . 1 1 56 56 ASP HA H 1 4.220 0.020 . 1 . . . . 54 ASP HA . 16269 1 378 . 1 1 56 56 ASP HB2 H 1 2.293 0.020 . 2 . . . . 54 ASP HB2 . 16269 1 379 . 1 1 56 56 ASP HB3 H 1 3.221 0.020 . 2 . . . . 54 ASP HB3 . 16269 1 380 . 1 1 56 56 ASP CA C 13 57.439 0.300 . 1 . . . . 54 ASP CA . 16269 1 381 . 1 1 56 56 ASP CB C 13 40.982 0.300 . 1 . . . . 54 ASP CB . 16269 1 382 . 1 1 56 56 ASP N N 15 118.059 0.300 . 1 . . . . 54 ASP N . 16269 1 383 . 1 1 57 57 LEU H H 1 7.442 0.020 . 1 . . . . 55 LEU H . 16269 1 384 . 1 1 57 57 LEU HA H 1 3.892 0.020 . 1 . . . . 55 LEU HA . 16269 1 385 . 1 1 57 57 LEU HB2 H 1 1.356 0.020 . 2 . . . . 55 LEU HB2 . 16269 1 386 . 1 1 57 57 LEU HB3 H 1 1.720 0.020 . 2 . . . . 55 LEU HB3 . 16269 1 387 . 1 1 57 57 LEU HD11 H 1 0.752 0.020 . . . . . . 55 LEU QD1 . 16269 1 388 . 1 1 57 57 LEU HD12 H 1 0.752 0.020 . . . . . . 55 LEU QD1 . 16269 1 389 . 1 1 57 57 LEU HD13 H 1 0.752 0.020 . . . . . . 55 LEU QD1 . 16269 1 390 . 1 1 57 57 LEU HD21 H 1 0.629 0.020 . . . . . . 55 LEU QD2 . 16269 1 391 . 1 1 57 57 LEU HD22 H 1 0.629 0.020 . . . . . . 55 LEU QD2 . 16269 1 392 . 1 1 57 57 LEU HD23 H 1 0.629 0.020 . . . . . . 55 LEU QD2 . 16269 1 393 . 1 1 57 57 LEU HG H 1 1.639 0.020 . 1 . . . . 55 LEU HG . 16269 1 394 . 1 1 57 57 LEU CA C 13 57.005 0.300 . 1 . . . . 55 LEU CA . 16269 1 395 . 1 1 57 57 LEU CB C 13 41.091 0.300 . 1 . . . . 55 LEU CB . 16269 1 396 . 1 1 57 57 LEU CD1 C 13 23.127 0.300 . 2 . . . . 55 LEU CD1 . 16269 1 397 . 1 1 57 57 LEU CD2 C 13 23.369 0.300 . 2 . . . . 55 LEU CD2 . 16269 1 398 . 1 1 57 57 LEU CG C 13 26.250 0.300 . 1 . . . . 55 LEU CG . 16269 1 399 . 1 1 57 57 LEU N N 15 114.899 0.300 . 1 . . . . 55 LEU N . 16269 1 400 . 1 1 58 58 LYS H H 1 8.480 0.020 . 1 . . . . 56 LYS H . 16269 1 401 . 1 1 58 58 LYS HA H 1 3.727 0.020 . 1 . . . . 56 LYS HA . 16269 1 402 . 1 1 58 58 LYS HB2 H 1 1.869 0.020 . 2 . . . . 56 LYS HB2 . 16269 1 403 . 1 1 58 58 LYS HD2 H 1 1.751 0.020 . 2 . . . . 56 LYS HD2 . 16269 1 404 . 1 1 58 58 LYS HE2 H 1 2.870 0.020 . 2 . . . . 56 LYS HE2 . 16269 1 405 . 1 1 58 58 LYS HE3 H 1 2.923 0.020 . 2 . . . . 56 LYS HE3 . 16269 1 406 . 1 1 58 58 LYS HG2 H 1 1.283 0.020 . 2 . . . . 56 LYS HG2 . 16269 1 407 . 1 1 58 58 LYS HG3 H 1 1.560 0.020 . 2 . . . . 56 LYS HG3 . 16269 1 408 . 1 1 58 58 LYS CA C 13 60.016 0.300 . 1 . . . . 56 LYS CA . 16269 1 409 . 1 1 58 58 LYS CB C 13 32.371 0.300 . 1 . . . . 56 LYS CB . 16269 1 410 . 1 1 58 58 LYS CD C 13 31.390 0.300 . 1 . . . . 56 LYS CD . 16269 1 411 . 1 1 58 58 LYS CE C 13 41.102 0.300 . 1 . . . . 56 LYS CE . 16269 1 412 . 1 1 58 58 LYS CG C 13 25.411 0.300 . 1 . . . . 56 LYS CG . 16269 1 413 . 1 1 58 58 LYS N N 15 117.148 0.300 . 1 . . . . 56 LYS N . 16269 1 414 . 1 1 59 59 ILE H H 1 8.307 0.020 . 1 . . . . 57 ILE H . 16269 1 415 . 1 1 59 59 ILE HA H 1 3.523 0.020 . 1 . . . . 57 ILE HA . 16269 1 416 . 1 1 59 59 ILE HB H 1 1.712 0.020 . 1 . . . . 57 ILE HB . 16269 1 417 . 1 1 59 59 ILE HD11 H 1 0.820 0.020 . . . . . . 57 ILE QD1 . 16269 1 418 . 1 1 59 59 ILE HD12 H 1 0.820 0.020 . . . . . . 57 ILE QD1 . 16269 1 419 . 1 1 59 59 ILE HD13 H 1 0.820 0.020 . . . . . . 57 ILE QD1 . 16269 1 420 . 1 1 59 59 ILE HG12 H 1 1.774 0.020 . . . . . . 57 ILE QG1 . 16269 1 421 . 1 1 59 59 ILE HG13 H 1 1.774 0.020 . . . . . . 57 ILE QG1 . 16269 1 422 . 1 1 59 59 ILE HG21 H 1 0.763 0.020 . . . . . . 57 ILE QG2 . 16269 1 423 . 1 1 59 59 ILE HG22 H 1 0.763 0.020 . . . . . . 57 ILE QG2 . 16269 1 424 . 1 1 59 59 ILE HG23 H 1 0.763 0.020 . . . . . . 57 ILE QG2 . 16269 1 425 . 1 1 59 59 ILE CA C 13 64.192 0.300 . 1 . . . . 57 ILE CA . 16269 1 426 . 1 1 59 59 ILE CB C 13 37.600 0.300 . 1 . . . . 57 ILE CB . 16269 1 427 . 1 1 59 59 ILE CD1 C 13 13.136 0.300 . 1 . . . . 57 ILE CD1 . 16269 1 428 . 1 1 59 59 ILE CG1 C 13 28.972 0.300 . 1 . . . . 57 ILE CG1 . 16269 1 429 . 1 1 59 59 ILE CG2 C 13 16.608 0.300 . 1 . . . . 57 ILE CG2 . 16269 1 430 . 1 1 59 59 ILE N N 15 115.449 0.300 . 1 . . . . 57 ILE N . 16269 1 431 . 1 1 60 60 GLY H H 1 8.019 0.020 . 1 . . . . 58 GLY H . 16269 1 432 . 1 1 60 60 GLY HA2 H 1 3.589 0.020 . 2 . . . . 58 GLY HA2 . 16269 1 433 . 1 1 60 60 GLY HA3 H 1 3.870 0.020 . 2 . . . . 58 GLY HA3 . 16269 1 434 . 1 1 60 60 GLY CA C 13 46.656 0.300 . 1 . . . . 58 GLY CA . 16269 1 435 . 1 1 60 60 GLY N N 15 120.793 0.300 . 1 . . . . 58 GLY N . 16269 1 436 . 1 1 61 61 LEU H H 1 8.583 0.020 . 1 . . . . 59 LEU H . 16269 1 437 . 1 1 61 61 LEU HA H 1 4.070 0.020 . 1 . . . . 59 LEU HA . 16269 1 438 . 1 1 61 61 LEU HB2 H 1 1.412 0.020 . 2 . . . . 59 LEU HB2 . 16269 1 439 . 1 1 61 61 LEU HB3 H 1 1.824 0.020 . 2 . . . . 59 LEU HB3 . 16269 1 440 . 1 1 61 61 LEU HD11 H 1 0.773 0.020 . . . . . . 59 LEU QD1 . 16269 1 441 . 1 1 61 61 LEU HD12 H 1 0.773 0.020 . . . . . . 59 LEU QD1 . 16269 1 442 . 1 1 61 61 LEU HD13 H 1 0.773 0.020 . . . . . . 59 LEU QD1 . 16269 1 443 . 1 1 61 61 LEU HG H 1 1.723 0.020 . 1 . . . . 59 LEU HG . 16269 1 444 . 1 1 61 61 LEU CA C 13 56.233 0.300 . 1 . . . . 59 LEU CA . 16269 1 445 . 1 1 61 61 LEU CB C 13 42.007 0.300 . 1 . . . . 59 LEU CB . 16269 1 446 . 1 1 61 61 LEU CD1 C 13 25.713 0.300 . 2 . . . . 59 LEU CD1 . 16269 1 447 . 1 1 61 61 LEU CG C 13 26.734 0.300 . 1 . . . . 59 LEU CG . 16269 1 448 . 1 1 61 61 LEU N N 15 119.042 0.300 . 1 . . . . 59 LEU N . 16269 1 449 . 1 1 62 62 ALA H H 1 8.080 0.020 . 1 . . . . 60 ALA H . 16269 1 450 . 1 1 62 62 ALA HA H 1 4.213 0.020 . 1 . . . . 60 ALA HA . 16269 1 451 . 1 1 62 62 ALA HB1 H 1 1.471 0.020 . . . . . . 60 ALA QB . 16269 1 452 . 1 1 62 62 ALA HB2 H 1 1.471 0.020 . . . . . . 60 ALA QB . 16269 1 453 . 1 1 62 62 ALA HB3 H 1 1.471 0.020 . . . . . . 60 ALA QB . 16269 1 454 . 1 1 62 62 ALA CA C 13 52.820 0.300 . 1 . . . . 60 ALA CA . 16269 1 455 . 1 1 62 62 ALA CB C 13 19.279 0.300 . 1 . . . . 60 ALA CB . 16269 1 456 . 1 1 62 62 ALA N N 15 118.467 0.300 . 1 . . . . 60 ALA N . 16269 1 457 . 1 1 63 63 GLY H H 1 8.014 0.020 . 1 . . . . 61 GLY H . 16269 1 458 . 1 1 63 63 GLY HA2 H 1 4.225 0.020 . 2 . . . . 61 GLY HA2 . 16269 1 459 . 1 1 63 63 GLY HA3 H 1 3.772 0.020 . 2 . . . . 61 GLY HA3 . 16269 1 460 . 1 1 63 63 GLY CA C 13 44.812 0.300 . 1 . . . . 61 GLY CA . 16269 1 461 . 1 1 63 63 GLY N N 15 119.896 0.300 . 1 . . . . 61 GLY N . 16269 1 462 . 1 1 64 64 SER H H 1 7.684 0.020 . 1 . . . . 62 SER H . 16269 1 463 . 1 1 64 64 SER HA H 1 4.476 0.020 . 1 . . . . 62 SER HA . 16269 1 464 . 1 1 64 64 SER HB2 H 1 3.887 0.020 . 2 . . . . 62 SER HB2 . 16269 1 465 . 1 1 64 64 SER HB3 H 1 4.017 0.020 . 2 . . . . 62 SER HB3 . 16269 1 466 . 1 1 64 64 SER CA C 13 57.116 0.300 . 1 . . . . 62 SER CA . 16269 1 467 . 1 1 64 64 SER CB C 13 63.809 0.300 . 1 . . . . 62 SER CB . 16269 1 468 . 1 1 64 64 SER N N 15 110.846 0.300 . 1 . . . . 62 SER N . 16269 1 469 . 1 1 65 65 GLU H H 1 8.876 0.020 . 1 . . . . 63 GLU H . 16269 1 470 . 1 1 65 65 GLU HA H 1 4.096 0.020 . 1 . . . . 63 GLU HA . 16269 1 471 . 1 1 65 65 GLU HB2 H 1 1.961 0.020 . 2 . . . . 63 GLU HB2 . 16269 1 472 . 1 1 65 65 GLU HB3 H 1 2.049 0.020 . 2 . . . . 63 GLU HB3 . 16269 1 473 . 1 1 65 65 GLU HG2 H 1 2.301 0.020 . 2 . . . . 63 GLU HG2 . 16269 1 474 . 1 1 65 65 GLU CA C 13 57.777 0.300 . 1 . . . . 63 GLU CA . 16269 1 475 . 1 1 65 65 GLU CB C 13 29.224 0.300 . 1 . . . . 63 GLU CB . 16269 1 476 . 1 1 65 65 GLU CG C 13 35.950 0.300 . 1 . . . . 63 GLU CG . 16269 1 477 . 1 1 65 65 GLU N N 15 119.431 0.300 . 1 . . . . 63 GLU N . 16269 1 478 . 1 1 66 66 GLU H H 1 8.487 0.020 . 1 . . . . 64 GLU H . 16269 1 479 . 1 1 66 66 GLU HA H 1 4.128 0.020 . 1 . . . . 64 GLU HA . 16269 1 480 . 1 1 66 66 GLU HB2 H 1 1.911 0.020 . 2 . . . . 64 GLU HB2 . 16269 1 481 . 1 1 66 66 GLU HB3 H 1 1.986 0.020 . 2 . . . . 64 GLU HB3 . 16269 1 482 . 1 1 66 66 GLU HG2 H 1 2.282 0.020 . 2 . . . . 64 GLU HG2 . 16269 1 483 . 1 1 66 66 GLU CA C 13 57.171 0.300 . 1 . . . . 64 GLU CA . 16269 1 484 . 1 1 66 66 GLU CB C 13 29.134 0.300 . 1 . . . . 64 GLU CB . 16269 1 485 . 1 1 66 66 GLU CG C 13 35.598 0.300 . 1 . . . . 64 GLU CG . 16269 1 486 . 1 1 66 66 GLU N N 15 116.443 0.300 . 1 . . . . 64 GLU N . 16269 1 487 . 1 1 67 67 ASP H H 1 7.752 0.020 . 1 . . . . 65 ASP H . 16269 1 488 . 1 1 67 67 ASP HA H 1 4.772 0.020 . 1 . . . . 65 ASP HA . 16269 1 489 . 1 1 67 67 ASP HB2 H 1 2.420 0.020 . 2 . . . . 65 ASP HB2 . 16269 1 490 . 1 1 67 67 ASP HB3 H 1 2.904 0.020 . 2 . . . . 65 ASP HB3 . 16269 1 491 . 1 1 67 67 ASP CA C 13 53.881 0.300 . 1 . . . . 65 ASP CA . 16269 1 492 . 1 1 67 67 ASP CB C 13 40.606 0.300 . 1 . . . . 65 ASP CB . 16269 1 493 . 1 1 67 67 ASP N N 15 116.326 0.300 . 1 . . . . 65 ASP N . 16269 1 494 . 1 1 68 68 VAL H H 1 7.564 0.020 . 1 . . . . 66 VAL H . 16269 1 495 . 1 1 68 68 VAL HA H 1 3.761 0.020 . 1 . . . . 66 VAL HA . 16269 1 496 . 1 1 68 68 VAL HB H 1 2.105 0.020 . 1 . . . . 66 VAL HB . 16269 1 497 . 1 1 68 68 VAL HG11 H 1 0.974 0.020 . . . . . . 66 VAL QG1 . 16269 1 498 . 1 1 68 68 VAL HG12 H 1 0.974 0.020 . . . . . . 66 VAL QG1 . 16269 1 499 . 1 1 68 68 VAL HG13 H 1 0.974 0.020 . . . . . . 66 VAL QG1 . 16269 1 500 . 1 1 68 68 VAL HG21 H 1 0.956 0.020 . . . . . . 66 VAL QG2 . 16269 1 501 . 1 1 68 68 VAL HG22 H 1 0.956 0.020 . . . . . . 66 VAL QG2 . 16269 1 502 . 1 1 68 68 VAL HG23 H 1 0.956 0.020 . . . . . . 66 VAL QG2 . 16269 1 503 . 1 1 68 68 VAL CA C 13 63.855 0.300 . 1 . . . . 66 VAL CA . 16269 1 504 . 1 1 68 68 VAL CB C 13 31.738 0.300 . 1 . . . . 66 VAL CB . 16269 1 505 . 1 1 68 68 VAL CG1 C 13 20.486 0.300 . 2 . . . . 66 VAL CG1 . 16269 1 506 . 1 1 68 68 VAL CG2 C 13 20.952 0.300 . 2 . . . . 66 VAL CG2 . 16269 1 507 . 1 1 68 68 VAL N N 15 116.892 0.300 . 1 . . . . 66 VAL N . 16269 1 508 . 1 1 69 69 ASP H H 1 8.416 0.020 . 1 . . . . 67 ASP H . 16269 1 509 . 1 1 69 69 ASP HA H 1 4.550 0.020 . 1 . . . . 67 ASP HA . 16269 1 510 . 1 1 69 69 ASP HB2 H 1 2.592 0.020 . 2 . . . . 67 ASP HB2 . 16269 1 511 . 1 1 69 69 ASP HB3 H 1 2.707 0.020 . 2 . . . . 67 ASP HB3 . 16269 1 512 . 1 1 69 69 ASP CA C 13 55.039 0.300 . 1 . . . . 67 ASP CA . 16269 1 513 . 1 1 69 69 ASP CB C 13 39.660 0.300 . 1 . . . . 67 ASP CB . 16269 1 514 . 1 1 69 69 ASP N N 15 117.848 0.300 . 1 . . . . 67 ASP N . 16269 1 515 . 1 1 70 70 MET H H 1 7.835 0.020 . 1 . . . . 68 MET H . 16269 1 516 . 1 1 70 70 MET HA H 1 4.457 0.020 . 1 . . . . 68 MET HA . 16269 1 517 . 1 1 70 70 MET HB2 H 1 2.046 0.020 . 2 . . . . 68 MET HB2 . 16269 1 518 . 1 1 70 70 MET HB3 H 1 2.171 0.020 . 2 . . . . 68 MET HB3 . 16269 1 519 . 1 1 70 70 MET HG2 H 1 2.495 0.020 . 2 . . . . 68 MET HG2 . 16269 1 520 . 1 1 70 70 MET HG3 H 1 2.619 0.020 . 2 . . . . 68 MET HG3 . 16269 1 521 . 1 1 70 70 MET CA C 13 54.460 0.300 . 1 . . . . 68 MET CA . 16269 1 522 . 1 1 70 70 MET CB C 13 31.819 0.300 . 1 . . . . 68 MET CB . 16269 1 523 . 1 1 70 70 MET CG C 13 31.639 0.300 . 1 . . . . 68 MET CG . 16269 1 524 . 1 1 70 70 MET N N 15 115.996 0.300 . 1 . . . . 68 MET N . 16269 1 525 . 1 1 71 71 LEU H H 1 7.658 0.020 . 1 . . . . 69 LEU H . 16269 1 526 . 1 1 71 71 LEU HA H 1 4.254 0.020 . 1 . . . . 69 LEU HA . 16269 1 527 . 1 1 71 71 LEU HB2 H 1 1.613 0.020 . 2 . . . . 69 LEU HB2 . 16269 1 528 . 1 1 71 71 LEU HB3 H 1 1.727 0.020 . 2 . . . . 69 LEU HB3 . 16269 1 529 . 1 1 71 71 LEU HD11 H 1 0.925 0.020 . . . . . . 69 LEU QD1 . 16269 1 530 . 1 1 71 71 LEU HD12 H 1 0.925 0.020 . . . . . . 69 LEU QD1 . 16269 1 531 . 1 1 71 71 LEU HD13 H 1 0.925 0.020 . . . . . . 69 LEU QD1 . 16269 1 532 . 1 1 71 71 LEU HD21 H 1 0.940 0.020 . . . . . . 69 LEU QD2 . 16269 1 533 . 1 1 71 71 LEU HD22 H 1 0.940 0.020 . . . . . . 69 LEU QD2 . 16269 1 534 . 1 1 71 71 LEU HD23 H 1 0.940 0.020 . . . . . . 69 LEU QD2 . 16269 1 535 . 1 1 71 71 LEU HG H 1 1.647 0.020 . 1 . . . . 69 LEU HG . 16269 1 536 . 1 1 71 71 LEU CA C 13 54.990 0.300 . 1 . . . . 69 LEU CA . 16269 1 537 . 1 1 71 71 LEU CB C 13 42.241 0.300 . 1 . . . . 69 LEU CB . 16269 1 538 . 1 1 71 71 LEU CD1 C 13 24.367 0.300 . 2 . . . . 69 LEU CD1 . 16269 1 539 . 1 1 71 71 LEU CD2 C 13 24.247 0.300 . 2 . . . . 69 LEU CD2 . 16269 1 540 . 1 1 71 71 LEU CG C 13 26.245 0.300 . 1 . . . . 69 LEU CG . 16269 1 541 . 1 1 71 71 LEU N N 15 119.625 0.300 . 1 . . . . 69 LEU N . 16269 1 542 . 1 1 72 72 ASP H H 1 8.600 0.020 . 1 . . . . 70 ASP H . 16269 1 543 . 1 1 72 72 ASP HA H 1 4.596 0.020 . 1 . . . . 70 ASP HA . 16269 1 544 . 1 1 72 72 ASP HB2 H 1 2.662 0.020 . 2 . . . . 70 ASP HB2 . 16269 1 545 . 1 1 72 72 ASP CA C 13 53.495 0.300 . 1 . . . . 70 ASP CA . 16269 1 546 . 1 1 72 72 ASP CB C 13 39.873 0.300 . 1 . . . . 70 ASP CB . 16269 1 547 . 1 1 72 72 ASP N N 15 121.204 0.300 . 1 . . . . 70 ASP N . 16269 1 548 . 1 1 73 73 THR H H 1 7.408 0.020 . 1 . . . . 71 THR H . 16269 1 549 . 1 1 73 73 THR HA H 1 4.326 0.020 . 1 . . . . 71 THR HA . 16269 1 550 . 1 1 73 73 THR HB H 1 3.700 0.020 . 1 . . . . 71 THR HB . 16269 1 551 . 1 1 73 73 THR HG21 H 1 1.187 0.020 . . . . . . 71 THR QG2 . 16269 1 552 . 1 1 73 73 THR HG22 H 1 1.187 0.020 . . . . . . 71 THR QG2 . 16269 1 553 . 1 1 73 73 THR HG23 H 1 1.187 0.020 . . . . . . 71 THR QG2 . 16269 1 554 . 1 1 73 73 THR CA C 13 60.526 0.300 . 1 . . . . 71 THR CA . 16269 1 555 . 1 1 73 73 THR CB C 13 69.711 0.300 . 1 . . . . 71 THR CB . 16269 1 556 . 1 1 73 73 THR CG2 C 13 21.125 0.300 . 1 . . . . 71 THR CG2 . 16269 1 557 . 1 1 73 73 THR N N 15 116.355 0.300 . 1 . . . . 71 THR N . 16269 1 558 . 1 1 74 74 PRO HA H 1 4.445 0.020 . 1 . . . . 72 PRO HA . 16269 1 559 . 1 1 74 74 PRO HB2 H 1 2.423 0.020 . 2 . . . . 72 PRO HB2 . 16269 1 560 . 1 1 74 74 PRO HB3 H 1 2.049 0.020 . 2 . . . . 72 PRO HB3 . 16269 1 561 . 1 1 74 74 PRO HD2 H 1 3.550 0.020 . 2 . . . . 72 PRO HD2 . 16269 1 562 . 1 1 74 74 PRO HD3 H 1 4.020 0.020 . 2 . . . . 72 PRO HD3 . 16269 1 563 . 1 1 74 74 PRO HG2 H 1 2.060 0.020 . 2 . . . . 72 PRO HG2 . 16269 1 564 . 1 1 74 74 PRO HG3 H 1 2.090 0.020 . 2 . . . . 72 PRO HG3 . 16269 1 565 . 1 1 74 74 PRO CA C 13 62.118 0.300 . 1 . . . . 72 PRO CA . 16269 1 566 . 1 1 74 74 PRO CB C 13 31.639 0.300 . 1 . . . . 72 PRO CB . 16269 1 567 . 1 1 74 74 PRO CD C 13 50.730 0.300 . 1 . . . . 72 PRO CD . 16269 1 568 . 1 1 74 74 PRO CG C 13 27.000 0.300 . 1 . . . . 72 PRO CG . 16269 1 569 . 1 1 75 75 MET H H 1 8.852 0.020 . 1 . . . . 73 MET H . 16269 1 570 . 1 1 75 75 MET HA H 1 4.311 0.020 . 1 . . . . 73 MET HA . 16269 1 571 . 1 1 75 75 MET HB2 H 1 2.176 0.020 . 2 . . . . 73 MET HB2 . 16269 1 572 . 1 1 75 75 MET HB3 H 1 2.012 0.020 . 2 . . . . 73 MET HB3 . 16269 1 573 . 1 1 75 75 MET HE1 H 1 1.595 0.020 . . . . . . 73 MET QE . 16269 1 574 . 1 1 75 75 MET HE2 H 1 1.595 0.020 . . . . . . 73 MET QE . 16269 1 575 . 1 1 75 75 MET HE3 H 1 1.595 0.020 . . . . . . 73 MET QE . 16269 1 576 . 1 1 75 75 MET HG2 H 1 2.689 0.020 . 2 . . . . 73 MET HG2 . 16269 1 577 . 1 1 75 75 MET HG3 H 1 2.648 0.020 . 2 . . . . 73 MET HG3 . 16269 1 578 . 1 1 75 75 MET CA C 13 56.523 0.300 . 1 . . . . 73 MET CA . 16269 1 579 . 1 1 75 75 MET CB C 13 30.079 0.300 . 1 . . . . 73 MET CB . 16269 1 580 . 1 1 75 75 MET CG C 13 31.683 0.300 . 1 . . . . 73 MET CG . 16269 1 581 . 1 1 75 75 MET N N 15 121.001 0.300 . 1 . . . . 73 MET N . 16269 1 582 . 1 1 76 76 SER H H 1 8.627 0.020 . 1 . . . . 74 SER H . 16269 1 583 . 1 1 76 76 SER HA H 1 3.943 0.020 . 1 . . . . 74 SER HA . 16269 1 584 . 1 1 76 76 SER HB2 H 1 3.904 0.020 . 2 . . . . 74 SER HB2 . 16269 1 585 . 1 1 76 76 SER HB3 H 1 3.846 0.020 . 2 . . . . 74 SER HB3 . 16269 1 586 . 1 1 76 76 SER CA C 13 60.393 0.300 . 1 . . . . 74 SER CA . 16269 1 587 . 1 1 76 76 SER CB C 13 60.830 0.300 . 1 . . . . 74 SER CB . 16269 1 588 . 1 1 76 76 SER N N 15 110.987 0.300 . 1 . . . . 74 SER N . 16269 1 589 . 1 1 77 77 ALA H H 1 7.036 0.020 . 1 . . . . 75 ALA H . 16269 1 590 . 1 1 77 77 ALA HA H 1 4.336 0.020 . 1 . . . . 75 ALA HA . 16269 1 591 . 1 1 77 77 ALA HB1 H 1 1.655 0.020 . . . . . . 75 ALA QB . 16269 1 592 . 1 1 77 77 ALA HB2 H 1 1.655 0.020 . . . . . . 75 ALA QB . 16269 1 593 . 1 1 77 77 ALA HB3 H 1 1.655 0.020 . . . . . . 75 ALA QB . 16269 1 594 . 1 1 77 77 ALA CA C 13 54.116 0.300 . 1 . . . . 75 ALA CA . 16269 1 595 . 1 1 77 77 ALA CB C 13 17.659 0.300 . 1 . . . . 75 ALA CB . 16269 1 596 . 1 1 77 77 ALA N N 15 122.675 0.300 . 1 . . . . 75 ALA N . 16269 1 597 . 1 1 78 78 LEU H H 1 7.293 0.020 . 1 . . . . 76 LEU H . 16269 1 598 . 1 1 78 78 LEU HA H 1 3.786 0.020 . 1 . . . . 76 LEU HA . 16269 1 599 . 1 1 78 78 LEU HB2 H 1 1.339 0.020 . 2 . . . . 76 LEU HB2 . 16269 1 600 . 1 1 78 78 LEU HB3 H 1 2.096 0.020 . 2 . . . . 76 LEU HB3 . 16269 1 601 . 1 1 78 78 LEU HD11 H 1 0.827 0.020 . . . . . . 76 LEU QD1 . 16269 1 602 . 1 1 78 78 LEU HD12 H 1 0.827 0.020 . . . . . . 76 LEU QD1 . 16269 1 603 . 1 1 78 78 LEU HD13 H 1 0.827 0.020 . . . . . . 76 LEU QD1 . 16269 1 604 . 1 1 78 78 LEU HD21 H 1 0.719 0.020 . . . . . . 76 LEU QD2 . 16269 1 605 . 1 1 78 78 LEU HD22 H 1 0.719 0.020 . . . . . . 76 LEU QD2 . 16269 1 606 . 1 1 78 78 LEU HD23 H 1 0.719 0.020 . . . . . . 76 LEU QD2 . 16269 1 607 . 1 1 78 78 LEU HG H 1 1.607 0.020 . 1 . . . . 76 LEU HG . 16269 1 608 . 1 1 78 78 LEU CA C 13 57.777 0.300 . 1 . . . . 76 LEU CA . 16269 1 609 . 1 1 78 78 LEU CB C 13 41.424 0.300 . 1 . . . . 76 LEU CB . 16269 1 610 . 1 1 78 78 LEU CD1 C 13 25.623 0.300 . 2 . . . . 76 LEU CD1 . 16269 1 611 . 1 1 78 78 LEU CD2 C 13 23.922 0.300 . 2 . . . . 76 LEU CD2 . 16269 1 612 . 1 1 78 78 LEU CG C 13 27.051 0.300 . 1 . . . . 76 LEU CG . 16269 1 613 . 1 1 78 78 LEU N N 15 114.788 0.300 . 1 . . . . 76 LEU N . 16269 1 614 . 1 1 79 79 LYS H H 1 8.232 0.020 . 1 . . . . 77 LYS H . 16269 1 615 . 1 1 79 79 LYS HA H 1 3.610 0.020 . 1 . . . . 77 LYS HA . 16269 1 616 . 1 1 79 79 LYS HB2 H 1 1.752 0.020 . 2 . . . . 77 LYS HB2 . 16269 1 617 . 1 1 79 79 LYS HD2 H 1 1.605 0.020 . 2 . . . . 77 LYS HD2 . 16269 1 618 . 1 1 79 79 LYS HE2 H 1 2.857 0.020 . 2 . . . . 77 LYS HE2 . 16269 1 619 . 1 1 79 79 LYS HE3 H 1 2.893 0.020 . 2 . . . . 77 LYS HE3 . 16269 1 620 . 1 1 79 79 LYS HG2 H 1 1.294 0.020 . 2 . . . . 77 LYS HG2 . 16269 1 621 . 1 1 79 79 LYS HG3 H 1 1.533 0.020 . 2 . . . . 77 LYS HG3 . 16269 1 622 . 1 1 79 79 LYS CA C 13 58.952 0.300 . 1 . . . . 77 LYS CA . 16269 1 623 . 1 1 79 79 LYS CB C 13 31.369 0.300 . 1 . . . . 77 LYS CB . 16269 1 624 . 1 1 79 79 LYS CD C 13 29.121 0.300 . 1 . . . . 77 LYS CD . 16269 1 625 . 1 1 79 79 LYS CE C 13 41.021 0.300 . 1 . . . . 77 LYS CE . 16269 1 626 . 1 1 79 79 LYS CG C 13 25.405 0.300 . 1 . . . . 77 LYS CG . 16269 1 627 . 1 1 79 79 LYS N N 15 114.334 0.300 . 1 . . . . 77 LYS N . 16269 1 628 . 1 1 80 80 ASP H H 1 7.757 0.020 . 1 . . . . 78 ASP H . 16269 1 629 . 1 1 80 80 ASP HA H 1 4.270 0.020 . 1 . . . . 78 ASP HA . 16269 1 630 . 1 1 80 80 ASP HB2 H 1 2.508 0.020 . 2 . . . . 78 ASP HB2 . 16269 1 631 . 1 1 80 80 ASP HB3 H 1 2.848 0.020 . 2 . . . . 78 ASP HB3 . 16269 1 632 . 1 1 80 80 ASP CA C 13 56.523 0.300 . 1 . . . . 78 ASP CA . 16269 1 633 . 1 1 80 80 ASP CB C 13 39.843 0.300 . 1 . . . . 78 ASP CB . 16269 1 634 . 1 1 80 80 ASP N N 15 117.851 0.300 . 1 . . . . 78 ASP N . 16269 1 635 . 1 1 81 81 ALA H H 1 8.218 0.020 . 1 . . . . 79 ALA H . 16269 1 636 . 1 1 81 81 ALA HA H 1 3.784 0.020 . 1 . . . . 79 ALA HA . 16269 1 637 . 1 1 81 81 ALA HB1 H 1 1.326 0.020 . . . . . . 79 ALA QB . 16269 1 638 . 1 1 81 81 ALA HB2 H 1 1.326 0.020 . . . . . . 79 ALA QB . 16269 1 639 . 1 1 81 81 ALA HB3 H 1 1.326 0.020 . . . . . . 79 ALA QB . 16269 1 640 . 1 1 81 81 ALA CA C 13 54.846 0.300 . 1 . . . . 79 ALA CA . 16269 1 641 . 1 1 81 81 ALA CB C 13 17.724 0.300 . 1 . . . . 79 ALA CB . 16269 1 642 . 1 1 81 81 ALA N N 15 117.835 0.300 . 1 . . . . 79 ALA N . 16269 1 643 . 1 1 82 82 VAL H H 1 7.850 0.020 . 1 . . . . 80 VAL H . 16269 1 644 . 1 1 82 82 VAL HA H 1 3.191 0.020 . 1 . . . . 80 VAL HA . 16269 1 645 . 1 1 82 82 VAL HB H 1 1.470 0.020 . 1 . . . . 80 VAL HB . 16269 1 646 . 1 1 82 82 VAL HG11 H 1 0.627 0.020 . . . . . . 80 VAL QG1 . 16269 1 647 . 1 1 82 82 VAL HG12 H 1 0.627 0.020 . . . . . . 80 VAL QG1 . 16269 1 648 . 1 1 82 82 VAL HG13 H 1 0.627 0.020 . . . . . . 80 VAL QG1 . 16269 1 649 . 1 1 82 82 VAL HG21 H 1 0.032 0.020 . . . . . . 80 VAL QG2 . 16269 1 650 . 1 1 82 82 VAL HG22 H 1 0.032 0.020 . . . . . . 80 VAL QG2 . 16269 1 651 . 1 1 82 82 VAL HG23 H 1 0.032 0.020 . . . . . . 80 VAL QG2 . 16269 1 652 . 1 1 82 82 VAL CA C 13 66.218 0.300 . 1 . . . . 80 VAL CA . 16269 1 653 . 1 1 82 82 VAL CB C 13 29.899 0.300 . 1 . . . . 80 VAL CB . 16269 1 654 . 1 1 82 82 VAL CG1 C 13 20.472 0.300 . 2 . . . . 80 VAL CG1 . 16269 1 655 . 1 1 82 82 VAL CG2 C 13 22.830 0.300 . 2 . . . . 80 VAL CG2 . 16269 1 656 . 1 1 82 82 VAL N N 15 113.132 0.300 . 1 . . . . 80 VAL N . 16269 1 657 . 1 1 83 83 ARG H H 1 7.380 0.020 . 1 . . . . 81 ARG H . 16269 1 658 . 1 1 83 83 ARG HA H 1 3.546 0.020 . 1 . . . . 81 ARG HA . 16269 1 659 . 1 1 83 83 ARG HB2 H 1 1.790 0.020 . 2 . . . . 81 ARG HB2 . 16269 1 660 . 1 1 83 83 ARG HD2 H 1 3.102 0.020 . 2 . . . . 81 ARG HD2 . 16269 1 661 . 1 1 83 83 ARG HD3 H 1 3.149 0.020 . 2 . . . . 81 ARG HD3 . 16269 1 662 . 1 1 83 83 ARG HG2 H 1 1.528 0.020 . 2 . . . . 81 ARG HG2 . 16269 1 663 . 1 1 83 83 ARG HG3 H 1 1.687 0.020 . 2 . . . . 81 ARG HG3 . 16269 1 664 . 1 1 83 83 ARG CA C 13 59.079 0.300 . 1 . . . . 81 ARG CA . 16269 1 665 . 1 1 83 83 ARG CB C 13 28.954 0.300 . 1 . . . . 81 ARG CB . 16269 1 666 . 1 1 83 83 ARG CD C 13 42.646 0.300 . 1 . . . . 81 ARG CD . 16269 1 667 . 1 1 83 83 ARG CG C 13 27.249 0.300 . 1 . . . . 81 ARG CG . 16269 1 668 . 1 1 83 83 ARG N N 15 115.851 0.300 . 1 . . . . 81 ARG N . 16269 1 669 . 1 1 84 84 ILE H H 1 7.630 0.020 . 1 . . . . 82 ILE H . 16269 1 670 . 1 1 84 84 ILE HA H 1 3.648 0.020 . 1 . . . . 82 ILE HA . 16269 1 671 . 1 1 84 84 ILE HB H 1 1.798 0.020 . 1 . . . . 82 ILE HB . 16269 1 672 . 1 1 84 84 ILE HD11 H 1 0.627 0.020 . . . . . . 82 ILE QD1 . 16269 1 673 . 1 1 84 84 ILE HD12 H 1 0.627 0.020 . . . . . . 82 ILE QD1 . 16269 1 674 . 1 1 84 84 ILE HD13 H 1 0.627 0.020 . . . . . . 82 ILE QD1 . 16269 1 675 . 1 1 84 84 ILE HG12 H 1 1.733 0.020 . . . . . . 82 ILE QG1 . 16269 1 676 . 1 1 84 84 ILE HG13 H 1 1.733 0.020 . . . . . . 82 ILE QG1 . 16269 1 677 . 1 1 84 84 ILE HG21 H 1 0.919 0.020 . . . . . . 82 ILE QG2 . 16269 1 678 . 1 1 84 84 ILE HG22 H 1 0.919 0.020 . . . . . . 82 ILE QG2 . 16269 1 679 . 1 1 84 84 ILE HG23 H 1 0.919 0.020 . . . . . . 82 ILE QG2 . 16269 1 680 . 1 1 84 84 ILE CA C 13 64.471 0.300 . 1 . . . . 82 ILE CA . 16269 1 681 . 1 1 84 84 ILE CB C 13 37.706 0.300 . 1 . . . . 82 ILE CB . 16269 1 682 . 1 1 84 84 ILE CD1 C 13 14.202 0.300 . 1 . . . . 82 ILE CD1 . 16269 1 683 . 1 1 84 84 ILE CG2 C 13 18.459 0.300 . 1 . . . . 82 ILE CG2 . 16269 1 684 . 1 1 84 84 ILE N N 15 116.727 0.300 . 1 . . . . 82 ILE N . 16269 1 685 . 1 1 85 85 LEU H H 1 8.181 0.020 . 1 . . . . 83 LEU H . 16269 1 686 . 1 1 85 85 LEU HA H 1 3.867 0.020 . 1 . . . . 83 LEU HA . 16269 1 687 . 1 1 85 85 LEU HB2 H 1 1.398 0.020 . 2 . . . . 83 LEU HB2 . 16269 1 688 . 1 1 85 85 LEU HB3 H 1 2.155 0.020 . 2 . . . . 83 LEU HB3 . 16269 1 689 . 1 1 85 85 LEU HD11 H 1 0.755 0.020 . . . . . . 83 LEU QD1 . 16269 1 690 . 1 1 85 85 LEU HD12 H 1 0.755 0.020 . . . . . . 83 LEU QD1 . 16269 1 691 . 1 1 85 85 LEU HD13 H 1 0.755 0.020 . . . . . . 83 LEU QD1 . 16269 1 692 . 1 1 85 85 LEU HD21 H 1 0.677 0.020 . . . . . . 83 LEU QD2 . 16269 1 693 . 1 1 85 85 LEU HD22 H 1 0.677 0.020 . . . . . . 83 LEU QD2 . 16269 1 694 . 1 1 85 85 LEU HD23 H 1 0.677 0.020 . . . . . . 83 LEU QD2 . 16269 1 695 . 1 1 85 85 LEU HG H 1 1.751 0.020 . 1 . . . . 83 LEU HG . 16269 1 696 . 1 1 85 85 LEU CA C 13 57.777 0.300 . 1 . . . . 83 LEU CA . 16269 1 697 . 1 1 85 85 LEU CB C 13 39.815 0.300 . 1 . . . . 83 LEU CB . 16269 1 698 . 1 1 85 85 LEU CD1 C 13 25.790 0.300 . 2 . . . . 83 LEU CD1 . 16269 1 699 . 1 1 85 85 LEU CD2 C 13 23.295 0.300 . 2 . . . . 83 LEU CD2 . 16269 1 700 . 1 1 85 85 LEU CG C 13 25.554 0.300 . 1 . . . . 83 LEU CG . 16269 1 701 . 1 1 85 85 LEU N N 15 119.537 0.300 . 1 . . . . 83 LEU N . 16269 1 702 . 1 1 86 86 TRP H H 1 8.525 0.020 . 1 . . . . 84 TRP H . 16269 1 703 . 1 1 86 86 TRP HA H 1 4.510 0.020 . 1 . . . . 84 TRP HA . 16269 1 704 . 1 1 86 86 TRP HB2 H 1 3.340 0.020 . 2 . . . . 84 TRP HB2 . 16269 1 705 . 1 1 86 86 TRP HB3 H 1 3.463 0.020 . 2 . . . . 84 TRP HB3 . 16269 1 706 . 1 1 86 86 TRP HD1 H 1 7.027 0.020 . 1 . . . . 84 TRP HD1 . 16269 1 707 . 1 1 86 86 TRP HE1 H 1 10.431 0.020 . 1 . . . . 84 TRP HE1 . 16269 1 708 . 1 1 86 86 TRP HE3 H 1 7.538 0.020 . 1 . . . . 84 TRP HE3 . 16269 1 709 . 1 1 86 86 TRP HH2 H 1 7.146 0.020 . 1 . . . . 84 TRP HH2 . 16269 1 710 . 1 1 86 86 TRP HZ2 H 1 7.474 0.020 . 1 . . . . 84 TRP HZ2 . 16269 1 711 . 1 1 86 86 TRP HZ3 H 1 7.035 0.020 . 1 . . . . 84 TRP HZ3 . 16269 1 712 . 1 1 86 86 TRP CA C 13 55.539 0.300 . 1 . . . . 84 TRP CA . 16269 1 713 . 1 1 86 86 TRP CB C 13 29.322 0.300 . 1 . . . . 84 TRP CB . 16269 1 714 . 1 1 86 86 TRP N N 15 113.453 0.300 . 1 . . . . 84 TRP N . 16269 1 715 . 1 1 86 86 TRP NE1 N 15 127.502 0.300 . 1 . . . . 84 TRP NE1 . 16269 1 716 . 1 1 87 87 GLY H H 1 8.018 0.020 . 1 . . . . 85 GLY H . 16269 1 717 . 1 1 87 87 GLY HA2 H 1 3.885 0.020 . 2 . . . . 85 GLY HA2 . 16269 1 718 . 1 1 87 87 GLY HA3 H 1 4.146 0.020 . 2 . . . . 85 GLY HA3 . 16269 1 719 . 1 1 87 87 GLY CA C 13 44.586 0.300 . 1 . . . . 85 GLY CA . 16269 1 720 . 1 1 87 87 GLY N N 15 120.447 0.300 . 1 . . . . 85 GLY N . 16269 1 721 . 1 1 88 88 GLU H H 1 8.128 0.020 . 1 . . . . 86 GLU H . 16269 1 722 . 1 1 88 88 GLU HA H 1 4.332 0.020 . 1 . . . . 86 GLU HA . 16269 1 723 . 1 1 88 88 GLU HB2 H 1 1.921 0.020 . 2 . . . . 86 GLU HB2 . 16269 1 724 . 1 1 88 88 GLU HB3 H 1 2.164 0.020 . 2 . . . . 86 GLU HB3 . 16269 1 725 . 1 1 88 88 GLU CA C 13 55.799 0.300 . 1 . . . . 86 GLU CA . 16269 1 726 . 1 1 88 88 GLU CB C 13 30.033 0.300 . 1 . . . . 86 GLU CB . 16269 1 727 . 1 1 88 88 GLU N N 15 117.047 0.300 . 1 . . . . 86 GLU N . 16269 1 728 . 1 1 89 89 ALA H H 1 8.156 0.020 . 1 . . . . 87 ALA H . 16269 1 729 . 1 1 89 89 ALA HA H 1 4.306 0.020 . 1 . . . . 87 ALA HA . 16269 1 730 . 1 1 89 89 ALA HB1 H 1 1.313 0.020 . . . . . . 87 ALA QB . 16269 1 731 . 1 1 89 89 ALA HB2 H 1 1.313 0.020 . . . . . . 87 ALA QB . 16269 1 732 . 1 1 89 89 ALA HB3 H 1 1.313 0.020 . . . . . . 87 ALA QB . 16269 1 733 . 1 1 89 89 ALA CA C 13 51.394 0.300 . 1 . . . . 87 ALA CA . 16269 1 734 . 1 1 89 89 ALA CB C 13 19.572 0.300 . 1 . . . . 87 ALA CB . 16269 1 735 . 1 1 89 89 ALA N N 15 121.520 0.300 . 1 . . . . 87 ALA N . 16269 1 736 . 1 1 90 90 GLU H H 1 8.431 0.020 . 1 . . . . 88 GLU H . 16269 1 737 . 1 1 90 90 GLU HA H 1 4.229 0.020 . 1 . . . . 88 GLU HA . 16269 1 738 . 1 1 90 90 GLU HB2 H 1 1.906 0.020 . 2 . . . . 88 GLU HB2 . 16269 1 739 . 1 1 90 90 GLU HB3 H 1 2.012 0.020 . 2 . . . . 88 GLU HB3 . 16269 1 740 . 1 1 90 90 GLU HG2 H 1 2.255 0.020 . 2 . . . . 88 GLU HG2 . 16269 1 741 . 1 1 90 90 GLU CA C 13 55.940 0.300 . 1 . . . . 88 GLU CA . 16269 1 742 . 1 1 90 90 GLU CB C 13 29.314 0.300 . 1 . . . . 88 GLU CB . 16269 1 743 . 1 1 90 90 GLU CG C 13 35.368 0.300 . 1 . . . . 88 GLU CG . 16269 1 744 . 1 1 90 90 GLU N N 15 118.057 0.300 . 1 . . . . 88 GLU N . 16269 1 745 . 1 1 91 91 VAL H H 1 8.178 0.020 . 1 . . . . 89 VAL H . 16269 1 746 . 1 1 91 91 VAL HA H 1 4.057 0.020 . 1 . . . . 89 VAL HA . 16269 1 747 . 1 1 91 91 VAL HB H 1 2.046 0.020 . 1 . . . . 89 VAL HB . 16269 1 748 . 1 1 91 91 VAL HG11 H 1 0.869 0.020 . . . . . . 89 VAL QG1 . 16269 1 749 . 1 1 91 91 VAL HG12 H 1 0.869 0.020 . . . . . . 89 VAL QG1 . 16269 1 750 . 1 1 91 91 VAL HG13 H 1 0.869 0.020 . . . . . . 89 VAL QG1 . 16269 1 751 . 1 1 91 91 VAL HG21 H 1 0.883 0.020 . . . . . . 89 VAL QG2 . 16269 1 752 . 1 1 91 91 VAL HG22 H 1 0.883 0.020 . . . . . . 89 VAL QG2 . 16269 1 753 . 1 1 91 91 VAL HG23 H 1 0.883 0.020 . . . . . . 89 VAL QG2 . 16269 1 754 . 1 1 91 91 VAL CA C 13 61.732 0.300 . 1 . . . . 89 VAL CA . 16269 1 755 . 1 1 91 91 VAL CB C 13 32.370 0.300 . 1 . . . . 89 VAL CB . 16269 1 756 . 1 1 91 91 VAL CG1 C 13 19.687 0.300 . 2 . . . . 89 VAL CG1 . 16269 1 757 . 1 1 91 91 VAL CG2 C 13 20.712 0.300 . 2 . . . . 89 VAL CG2 . 16269 1 758 . 1 1 91 91 VAL N N 15 118.132 0.300 . 1 . . . . 89 VAL N . 16269 1 759 . 1 1 92 92 ASP H H 1 8.370 0.020 . 1 . . . . 90 ASP H . 16269 1 760 . 1 1 92 92 ASP HA H 1 4.565 0.020 . 1 . . . . 90 ASP HA . 16269 1 761 . 1 1 92 92 ASP HB2 H 1 2.591 0.020 . 2 . . . . 90 ASP HB2 . 16269 1 762 . 1 1 92 92 ASP HB3 H 1 2.675 0.020 . 2 . . . . 90 ASP HB3 . 16269 1 763 . 1 1 92 92 ASP CA C 13 53.977 0.300 . 1 . . . . 90 ASP CA . 16269 1 764 . 1 1 92 92 ASP CB C 13 40.252 0.300 . 1 . . . . 90 ASP CB . 16269 1 765 . 1 1 92 92 ASP N N 15 120.735 0.300 . 1 . . . . 90 ASP N . 16269 1 766 . 1 1 93 93 SER H H 1 8.084 0.020 . 1 . . . . 91 SER H . 16269 1 767 . 1 1 93 93 SER HA H 1 4.406 0.020 . 1 . . . . 91 SER HA . 16269 1 768 . 1 1 93 93 SER HB2 H 1 3.810 0.020 . 2 . . . . 91 SER HB2 . 16269 1 769 . 1 1 93 93 SER CA C 13 57.394 0.300 . 1 . . . . 91 SER CA . 16269 1 770 . 1 1 93 93 SER CB C 13 63.134 0.300 . 1 . . . . 91 SER CB . 16269 1 771 . 1 1 93 93 SER N N 15 113.101 0.300 . 1 . . . . 91 SER N . 16269 1 772 . 1 1 94 94 LEU H H 1 8.126 0.020 . 1 . . . . 92 LEU H . 16269 1 773 . 1 1 94 94 LEU HA H 1 4.575 0.020 . 1 . . . . 92 LEU HA . 16269 1 774 . 1 1 94 94 LEU HB2 H 1 1.496 0.020 . 2 . . . . 92 LEU HB2 . 16269 1 775 . 1 1 94 94 LEU HB3 H 1 1.583 0.020 . 2 . . . . 92 LEU HB3 . 16269 1 776 . 1 1 94 94 LEU HD11 H 1 0.903 0.020 . . . . . . 92 LEU QD1 . 16269 1 777 . 1 1 94 94 LEU HD12 H 1 0.903 0.020 . . . . . . 92 LEU QD1 . 16269 1 778 . 1 1 94 94 LEU HD13 H 1 0.903 0.020 . . . . . . 92 LEU QD1 . 16269 1 779 . 1 1 94 94 LEU HD21 H 1 0.864 0.020 . . . . . . 92 LEU QD2 . 16269 1 780 . 1 1 94 94 LEU HD22 H 1 0.864 0.020 . . . . . . 92 LEU QD2 . 16269 1 781 . 1 1 94 94 LEU HD23 H 1 0.864 0.020 . . . . . . 92 LEU QD2 . 16269 1 782 . 1 1 94 94 LEU HG H 1 1.639 0.020 . 1 . . . . 92 LEU HG . 16269 1 783 . 1 1 94 94 LEU CA C 13 52.434 0.300 . 1 . . . . 92 LEU CA . 16269 1 784 . 1 1 94 94 LEU CB C 13 41.004 0.300 . 1 . . . . 92 LEU CB . 16269 1 785 . 1 1 94 94 LEU CD1 C 13 24.433 0.300 . 2 . . . . 92 LEU CD1 . 16269 1 786 . 1 1 94 94 LEU CD2 C 13 22.878 0.300 . 2 . . . . 92 LEU CD2 . 16269 1 787 . 1 1 94 94 LEU CG C 13 26.398 0.300 . 1 . . . . 92 LEU CG . 16269 1 788 . 1 1 94 94 LEU N N 15 122.734 0.300 . 1 . . . . 92 LEU N . 16269 1 789 . 1 1 95 95 PRO HA H 1 4.371 0.020 . 1 . . . . 93 PRO HA . 16269 1 790 . 1 1 95 95 PRO HB2 H 1 1.825 0.020 . 2 . . . . 93 PRO HB2 . 16269 1 791 . 1 1 95 95 PRO HB3 H 1 2.243 0.020 . 2 . . . . 93 PRO HB3 . 16269 1 792 . 1 1 95 95 PRO HD2 H 1 3.577 0.020 . 2 . . . . 93 PRO HD2 . 16269 1 793 . 1 1 95 95 PRO HD3 H 1 3.803 0.020 . 2 . . . . 93 PRO HD3 . 16269 1 794 . 1 1 95 95 PRO HG2 H 1 1.984 0.020 . 2 . . . . 93 PRO QG . 16269 1 795 . 1 1 95 95 PRO HG3 H 1 1.984 0.020 . 2 . . . . 93 PRO QG . 16269 1 796 . 1 1 95 95 PRO CA C 13 62.310 0.300 . 1 . . . . 93 PRO CA . 16269 1 797 . 1 1 95 95 PRO CB C 13 31.279 0.300 . 1 . . . . 93 PRO CB . 16269 1 798 . 1 1 95 95 PRO CD C 13 49.907 0.300 . 1 . . . . 93 PRO CD . 16269 1 799 . 1 1 95 95 PRO CG C 13 26.773 0.300 . 1 . . . . 93 PRO CG . 16269 1 800 . 1 1 96 96 GLN H H 1 8.403 0.020 . 1 . . . . 94 GLN H . 16269 1 801 . 1 1 96 96 GLN HA H 1 4.561 0.020 . 1 . . . . 94 GLN HA . 16269 1 802 . 1 1 96 96 GLN HB2 H 1 1.901 0.020 . 2 . . . . 94 GLN HB2 . 16269 1 803 . 1 1 96 96 GLN HB3 H 1 2.062 0.020 . 2 . . . . 94 GLN HB3 . 16269 1 804 . 1 1 96 96 GLN HG2 H 1 2.392 0.020 . 2 . . . . 94 GLN HG2 . 16269 1 805 . 1 1 96 96 GLN CA C 13 52.771 0.300 . 1 . . . . 94 GLN CA . 16269 1 806 . 1 1 96 96 GLN CB C 13 28.367 0.300 . 1 . . . . 94 GLN CB . 16269 1 807 . 1 1 96 96 GLN CG C 13 32.840 0.300 . 1 . . . . 94 GLN CG . 16269 1 808 . 1 1 96 96 GLN N N 15 119.561 0.300 . 1 . . . . 94 GLN N . 16269 1 809 . 1 1 97 97 PRO HA H 1 4.434 0.020 . 1 . . . . 95 PRO HA . 16269 1 810 . 1 1 97 97 PRO HB2 H 1 1.920 0.020 . 2 . . . . 95 PRO HB2 . 16269 1 811 . 1 1 97 97 PRO HB3 H 1 2.231 0.020 . 2 . . . . 95 PRO HB3 . 16269 1 812 . 1 1 97 97 PRO HD2 H 1 3.626 0.020 . 2 . . . . 95 PRO HD2 . 16269 1 813 . 1 1 97 97 PRO HD3 H 1 3.747 0.020 . 2 . . . . 95 PRO HD3 . 16269 1 814 . 1 1 97 97 PRO HG2 H 1 1.959 0.020 . 2 . . . . 95 PRO HG2 . 16269 1 815 . 1 1 97 97 PRO HG3 H 1 2.008 0.020 . 2 . . . . 95 PRO HG3 . 16269 1 816 . 1 1 97 97 PRO CA C 13 62.726 0.300 . 1 . . . . 95 PRO CA . 16269 1 817 . 1 1 97 97 PRO CB C 13 31.299 0.300 . 1 . . . . 95 PRO CB . 16269 1 818 . 1 1 97 97 PRO CD C 13 50.032 0.300 . 1 . . . . 95 PRO CD . 16269 1 819 . 1 1 97 97 PRO CG C 13 26.787 0.300 . 1 . . . . 95 PRO CG . 16269 1 820 . 1 1 98 98 VAL H H 1 7.754 0.020 . 1 . . . . 96 VAL H . 16269 1 821 . 1 1 98 98 VAL HA H 1 4.005 0.020 . 1 . . . . 96 VAL HA . 16269 1 822 . 1 1 98 98 VAL HB H 1 2.047 0.020 . 1 . . . . 96 VAL HB . 16269 1 823 . 1 1 98 98 VAL HG11 H 1 0.878 0.020 . . . . . . 96 VAL QG1 . 16269 1 824 . 1 1 98 98 VAL HG12 H 1 0.878 0.020 . . . . . . 96 VAL QG1 . 16269 1 825 . 1 1 98 98 VAL HG13 H 1 0.878 0.020 . . . . . . 96 VAL QG1 . 16269 1 826 . 1 1 98 98 VAL CA C 13 63.200 0.300 . 1 . . . . 96 VAL CA . 16269 1 827 . 1 1 98 98 VAL CG2 C 13 19.627 0.300 . 2 . . . . 96 VAL CG2 . 16269 1 828 . 1 1 98 98 VAL N N 15 122.015 0.300 . 1 . . . . 96 VAL N . 16269 1 stop_ save_