data_11034 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11034 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for N-terminal DNA Recognition Domain of the Bacillus subtilis transition-state regulator SpoVT ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-03-13 _Entry.Accession_date 2008-03-14 _Entry.Last_release_date 2008-12-11 _Entry.Original_release_date 2008-12-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Daniel Sullivan . M. . 11034 2 Benjamin Bobay . G. . 11034 3 Douglas Kojetin . J. . 11034 4 Richele Thompson . J. . 11034 5 Mark Rance . . . 11034 6 Mark Strauch . A. . 11034 7 John Cavanagh . . . 11034 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11034 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 241 11034 '15N chemical shifts' 49 11034 '1H chemical shifts' 377 11034 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 . . 2008-12-11 2008-03-13 original author . 11034 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RO5 'BMRB Entry Tracking System' 11034 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11034 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19000822 _Citation.Full_citation . _Citation.Title 'Insights into the nature of DNA-binding of AbrB-like transcription factors' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 11 _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 1702 _Citation.Page_last 1713 _Citation.Year 2008 _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 Daniel Sullivan . M. . 11034 1 2 Benjamin Bobay . G. . 11034 1 3 Douglas Kojetin . J. . 11034 1 4 Richele Thompson . J. . 11034 1 5 Mark Rance . . . 11034 1 6 Mark Strauch . A. . 11034 1 7 John Cavanagh . . . 11034 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID transcription 11034 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11034 _Assembly.ID 1 _Assembly.Name 'SpoVTN dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12753 _Assembly.Enzyme_commission_number . _Assembly.Details 'SpoVTN dimer' _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 'SpoVTN subunit 1' 1 $SpoVTN A . yes native no no . . . 11034 1 2 'SpoVTN subunit 2' 1 $SpoVTN A . yes native no no . . . 11034 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID DNA-binding 11034 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SpoVTN _Entity.Sf_category entity _Entity.Sf_framecode SpoVTN _Entity.Entry_ID 11034 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SpoVTN _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKATGIVRRIDDLGRVVIPK EIRRTLRIREGDPLEIFVDR DGEVILKKYSPISEL ; _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 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal DNA-binding domain of SpoVT' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6376.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2RO5 . "Rdc-Refined Solution Structure Of The N-Terminal Dna Recognition Domain Of The Bacillus Subtilis Transition-State Regulator Spo" . . . . . 100.00 55 100.00 100.00 1.41e-27 . . . . 11034 1 2 no PDB 2W1T . "Crystal Structure Of B. Subtilis Spovt" . . . . . 100.00 178 100.00 100.00 9.86e-28 . . . . 11034 1 3 no DBJ BAA05291 . "similar to AbrB [Bacillus subtilis]" . . . . . 100.00 178 100.00 100.00 9.86e-28 . . . . 11034 1 4 no DBJ BAB03789 . "stage V sporulation protein T [Bacillus halodurans C-125]" . . . . . 100.00 179 100.00 100.00 6.65e-28 . . . . 11034 1 5 no DBJ BAD42216 . "stage V sprulation protein T [Symbiobacterium thermophilum IAM 14863]" . . . . . 100.00 186 98.18 98.18 1.96e-26 . . . . 11034 1 6 no DBJ BAD62627 . "transcriptional regulator stage V sporulation protein T [Bacillus clausii KSM-K16]" . . . . . 100.00 179 100.00 100.00 9.98e-28 . . . . 11034 1 7 no DBJ BAD74334 . "stage V sporulation protein T (transcriptional regulator) [Geobacillus kaustophilus HTA426]" . . . . . 100.00 178 100.00 100.00 1.70e-27 . . . . 11034 1 8 no EMBL CAB11832 . "transcriptional regulator [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 178 100.00 100.00 9.86e-28 . . . . 11034 1 9 no EMBL CBI41182 . "transcriptional regulator [Bacillus amyloliquefaciens DSM 7]" . . . . . 100.00 178 100.00 100.00 6.09e-28 . . . . 11034 1 10 no EMBL CCC82977 . "stage V sporulation protein T [Paenibacillus polymyxa M1]" . . . . . 100.00 180 98.18 98.18 5.30e-27 . . . . 11034 1 11 no EMBL CCF03591 . "Stage V sporulation protein T [Bacillus methylotrophicus CAU B946]" . . . . . 100.00 178 100.00 100.00 5.42e-28 . . . . 11034 1 12 no EMBL CCF15332 . "stage V sporulation protein T [Brevibacillus laterosporus GI-9]" . . . . . 100.00 179 98.18 98.18 7.44e-27 . . . . 11034 1 13 no GB AAP07157 . "Stage V sporulation protein T [Bacillus cereus ATCC 14579]" . . . . . 100.00 178 100.00 100.00 1.09e-27 . . . . 11034 1 14 no GB AAP24108 . "stage V sporulation protein T [Bacillus anthracis str. Ames]" . . . . . 100.00 178 100.00 100.00 9.34e-28 . . . . 11034 1 15 no GB AAS38988 . "stage V sporulation protein T [Bacillus cereus ATCC 10987]" . . . . . 100.00 178 100.00 100.00 1.09e-27 . . . . 11034 1 16 no GB AAT29131 . "stage V sporulation protein T [Bacillus anthracis str. 'Ames Ancestor']" . . . . . 100.00 178 100.00 100.00 9.34e-28 . . . . 11034 1 17 no GB AAT52391 . "stage V sporulation protein T [Bacillus anthracis str. Sterne]" . . . . . 100.00 178 100.00 100.00 9.34e-28 . . . . 11034 1 18 no REF NP_387937 . "stage V sporulation protein T [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 178 100.00 100.00 9.86e-28 . . . . 11034 1 19 no REF NP_829956 . "stage V sporulation protein T [Bacillus cereus ATCC 14579]" . . . . . 100.00 178 100.00 100.00 1.09e-27 . . . . 11034 1 20 no REF NP_842622 . "stage V sporulation protein T [Bacillus anthracis str. Ames]" . . . . . 100.00 178 100.00 100.00 9.34e-28 . . . . 11034 1 21 no REF WP_000648302 . "MULTISPECIES: stage V sporulation protein T [Bacillus]" . . . . . 100.00 178 100.00 100.00 1.09e-27 . . . . 11034 1 22 no REF WP_000648303 . "MULTISPECIES: stage V sporulation protein T [Bacillus cereus group]" . . . . . 100.00 178 100.00 100.00 9.44e-28 . . . . 11034 1 23 no SP P37554 . "RecName: Full=Stage V sporulation protein T" . . . . . 100.00 178 100.00 100.00 9.86e-28 . . . . 11034 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID DNA-binding 11034 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 . MET . 11034 1 2 . LYS . 11034 1 3 . ALA . 11034 1 4 . THR . 11034 1 5 . GLY . 11034 1 6 . ILE . 11034 1 7 . VAL . 11034 1 8 . ARG . 11034 1 9 . ARG . 11034 1 10 . ILE . 11034 1 11 . ASP . 11034 1 12 . ASP . 11034 1 13 . LEU . 11034 1 14 . GLY . 11034 1 15 . ARG . 11034 1 16 . VAL . 11034 1 17 . VAL . 11034 1 18 . ILE . 11034 1 19 . PRO . 11034 1 20 . LYS . 11034 1 21 . GLU . 11034 1 22 . ILE . 11034 1 23 . ARG . 11034 1 24 . ARG . 11034 1 25 . THR . 11034 1 26 . LEU . 11034 1 27 . ARG . 11034 1 28 . ILE . 11034 1 29 . ARG . 11034 1 30 . GLU . 11034 1 31 . GLY . 11034 1 32 . ASP . 11034 1 33 . PRO . 11034 1 34 . LEU . 11034 1 35 . GLU . 11034 1 36 . ILE . 11034 1 37 . PHE . 11034 1 38 . VAL . 11034 1 39 . ASP . 11034 1 40 . ARG . 11034 1 41 . ASP . 11034 1 42 . GLY . 11034 1 43 . GLU . 11034 1 44 . VAL . 11034 1 45 . ILE . 11034 1 46 . LEU . 11034 1 47 . LYS . 11034 1 48 . LYS . 11034 1 49 . TYR . 11034 1 50 . SER . 11034 1 51 . PRO . 11034 1 52 . ILE . 11034 1 53 . SER . 11034 1 54 . GLU . 11034 1 55 . LEU . 11034 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 11034 1 . LYS 2 2 11034 1 . ALA 3 3 11034 1 . THR 4 4 11034 1 . GLY 5 5 11034 1 . ILE 6 6 11034 1 . VAL 7 7 11034 1 . ARG 8 8 11034 1 . ARG 9 9 11034 1 . ILE 10 10 11034 1 . ASP 11 11 11034 1 . ASP 12 12 11034 1 . LEU 13 13 11034 1 . GLY 14 14 11034 1 . ARG 15 15 11034 1 . VAL 16 16 11034 1 . VAL 17 17 11034 1 . ILE 18 18 11034 1 . PRO 19 19 11034 1 . LYS 20 20 11034 1 . GLU 21 21 11034 1 . ILE 22 22 11034 1 . ARG 23 23 11034 1 . ARG 24 24 11034 1 . THR 25 25 11034 1 . LEU 26 26 11034 1 . ARG 27 27 11034 1 . ILE 28 28 11034 1 . ARG 29 29 11034 1 . GLU 30 30 11034 1 . GLY 31 31 11034 1 . ASP 32 32 11034 1 . PRO 33 33 11034 1 . LEU 34 34 11034 1 . GLU 35 35 11034 1 . ILE 36 36 11034 1 . PHE 37 37 11034 1 . VAL 38 38 11034 1 . ASP 39 39 11034 1 . ARG 40 40 11034 1 . ASP 41 41 11034 1 . GLY 42 42 11034 1 . GLU 43 43 11034 1 . VAL 44 44 11034 1 . ILE 45 45 11034 1 . LEU 46 46 11034 1 . LYS 47 47 11034 1 . LYS 48 48 11034 1 . TYR 49 49 11034 1 . SER 50 50 11034 1 . PRO 51 51 11034 1 . ILE 52 52 11034 1 . SER 53 53 11034 1 . GLU 54 54 11034 1 . LEU 55 55 11034 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 11034 _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 $SpoVTN . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . spoVT . . . . 11034 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 11034 _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 $SpoVTN . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET21-b . . . . . . 11034 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11034 _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 'SpoVTN subunit 1' '[U-99% 13C; U-99% 15N]' . . 1 $SpoVTN . . . 1 2 mM . . . . 11034 1 2 'SpoVTN subunit 2' '[U-99% 13C; U-99% 15N]' . . 1 $SpoVTN . . . 1 2 mM . . . . 11034 1 3 TRIS-HCl 'natural abundance' . . . . . . 10 . . mM . . . . 11034 1 4 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 11034 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 11034 1 6 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 11034 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 11034 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11034 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SpoVTN subunit 1' '[U-99% 15N]' . . 1 $SpoVTN . . . 1 2 mM . . . . 11034 2 2 'SpoVTN subunit 2' '[U-99% 15N]' . . 1 $SpoVTN . . . 1 2 mM . . . . 11034 2 3 TRIS-HCl 'natural abundance' . . . . . . 10 . . mM . . . . 11034 2 4 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 11034 2 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 11034 2 6 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 11034 2 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 11034 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 11034 _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 11034 1 pH 5.8 . pH 11034 1 pressure 1 . atm 11034 1 temperature 305 . K 11034 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 11034 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 11034 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11034 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11034 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11034 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11034 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11034 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11034 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11034 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11034 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with triple resonance probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11034 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 'equipped with triple resonance probe' . . 11034 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 11034 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11034 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11034 1 3 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11034 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11034 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11034 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11034 1 7 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11034 1 8 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11034 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11034 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 11034 _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 TMS 'methyl protons' . . . . ppm 0.00 internal indirect 0.25144954 . . . . . . . . . 11034 1 H 1 water protons . . . . ppm 4.74 internal direct 1.0 . . . . . . . . . 11034 1 N 15 TMS 'methyl protons' . . . . ppm 0.00 internal indirect 0.1013291444 . . . . . . . . . 11034 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 11034 _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' 1 $sample_1 isotropic 11034 1 2 '3D CBCA(CO)NH' 2 $sample_2 isotropic 11034 1 3 '3D C(CO)NH' 2 $sample_2 isotropic 11034 1 4 '3D HNCO' 2 $sample_2 isotropic 11034 1 5 '3D HNCA' 2 $sample_2 isotropic 11034 1 6 '3D HNCACB' 2 $sample_2 isotropic 11034 1 7 '3D HN(CO)CA' 2 $sample_2 isotropic 11034 1 8 '3D HN(CA)CO' 2 $sample_2 isotropic 11034 1 9 '3D HCCH-TOCSY' 2 $sample_2 isotropic 11034 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 CG C 13 15.937 . . 1 . . . . 1 MET CG . 11034 1 2 . 1 1 1 1 MET HG2 H 1 1.986 . . 2 . . . . 1 MET HG2 . 11034 1 3 . 1 1 2 2 LYS CA C 13 55.606 . . 1 . . . . 2 LYS CA . 11034 1 4 . 1 1 2 2 LYS HA H 1 4.540 . . 1 . . . . 2 LYS HA . 11034 1 5 . 1 1 2 2 LYS CB C 13 32.447 . . 1 . . . . 2 LYS CB . 11034 1 6 . 1 1 2 2 LYS HB2 H 1 1.865 . . 2 . . . . 2 LYS HB1 . 11034 1 7 . 1 1 2 2 LYS CG C 13 26.595 . . 1 . . . . 2 LYS CG . 11034 1 8 . 1 1 2 2 LYS HG2 H 1 1.489 . . 2 . . . . 2 LYS HG2 . 11034 1 9 . 1 1 2 2 LYS CD C 13 28.392 . . 1 . . . . 2 LYS CD . 11034 1 10 . 1 1 2 2 LYS HD2 H 1 1.683 . . 2 . . . . 2 LYS HD2 . 11034 1 11 . 1 1 2 2 LYS CE C 13 41.161 . . 1 . . . . 2 LYS CE . 11034 1 12 . 1 1 2 2 LYS HE2 H 1 3.000 . . 2 . . . . 2 LYS HE2 . 11034 1 13 . 1 1 2 2 LYS C C 13 177.204 . . 1 . . . . 2 LYS C . 11034 1 14 . 1 1 3 3 ALA N N 15 126.109 . . 1 . . . . 3 ALA N . 11034 1 15 . 1 1 3 3 ALA H H 1 8.553 . . 1 . . . . 3 ALA HN . 11034 1 16 . 1 1 3 3 ALA CA C 13 52.218 . . 1 . . . . 3 ALA CA . 11034 1 17 . 1 1 3 3 ALA HA H 1 4.342 . . 1 . . . . 3 ALA HA . 11034 1 18 . 1 1 3 3 ALA CB C 13 19.245 . . 1 . . . . 3 ALA CB . 11034 1 19 . 1 1 3 3 ALA HB1 H 1 1.408 . . 1 . . . . 3 ALA HB1 . 11034 1 20 . 1 1 3 3 ALA HB2 H 1 1.408 . . 1 . . . . 3 ALA HB1 . 11034 1 21 . 1 1 3 3 ALA HB3 H 1 1.408 . . 1 . . . . 3 ALA HB1 . 11034 1 22 . 1 1 3 3 ALA C C 13 179.308 . . 1 . . . . 3 ALA C . 11034 1 23 . 1 1 4 4 THR N N 15 112.465 . . 1 . . . . 4 THR N . 11034 1 24 . 1 1 4 4 THR H H 1 8.078 . . 1 . . . . 4 THR HN . 11034 1 25 . 1 1 4 4 THR CA C 13 61.583 . . 1 . . . . 4 THR CA . 11034 1 26 . 1 1 4 4 THR HA H 1 4.420 . . 1 . . . . 4 THR HA . 11034 1 27 . 1 1 4 4 THR CB C 13 69.460 . . 1 . . . . 4 THR CB . 11034 1 28 . 1 1 4 4 THR HB H 1 4.204 . . 1 . . . . 4 THR HB . 11034 1 29 . 1 1 4 4 THR CG2 C 13 21.200 . . 1 . . . . 4 THR CG2 . 11034 1 30 . 1 1 4 4 THR HG21 H 1 1.242 . . 1 . . . . 4 THR HG21 . 11034 1 31 . 1 1 4 4 THR HG22 H 1 1.242 . . 1 . . . . 4 THR HG21 . 11034 1 32 . 1 1 4 4 THR HG23 H 1 1.242 . . 1 . . . . 4 THR HG21 . 11034 1 33 . 1 1 4 4 THR C C 13 173.474 . . 1 . . . . 4 THR C . 11034 1 34 . 1 1 5 5 GLY N N 15 111.771 . . 1 . . . . 5 GLY N . 11034 1 35 . 1 1 5 5 GLY H H 1 9.037 . . 1 . . . . 5 GLY HN . 11034 1 36 . 1 1 5 5 GLY CA C 13 44.687 . . 1 . . . . 5 GLY CA . 11034 1 37 . 1 1 5 5 GLY HA3 H 1 4.058 . . 2 . . . . 5 GLY HA2 . 11034 1 38 . 1 1 5 5 GLY HA2 H 1 3.623 . . 2 . . . . 5 GLY HA1 . 11034 1 39 . 1 1 5 5 GLY C C 13 174.756 . . 1 . . . . 5 GLY C . 11034 1 40 . 1 1 6 6 ILE N N 15 121.234 . . 1 . . . . 6 ILE N . 11034 1 41 . 1 1 6 6 ILE H H 1 8.287 . . 1 . . . . 6 ILE HN . 11034 1 42 . 1 1 6 6 ILE CA C 13 60.578 . . 1 . . . . 6 ILE CA . 11034 1 43 . 1 1 6 6 ILE HA H 1 4.132 . . 1 . . . . 6 ILE HA . 11034 1 44 . 1 1 6 6 ILE CB C 13 38.785 . . 1 . . . . 6 ILE CB . 11034 1 45 . 1 1 6 6 ILE HB H 1 1.765 . . 1 . . . . 6 ILE HB . 11034 1 46 . 1 1 6 6 ILE CG1 C 13 24.463 . . 1 . . . . 6 ILE CG1 . 11034 1 47 . 1 1 6 6 ILE HG13 H 1 1.574 . . 1 . . . . 6 ILE HG12 . 11034 1 48 . 1 1 6 6 ILE HG12 H 1 1.475 . . 1 . . . . 6 ILE HG11 . 11034 1 49 . 1 1 6 6 ILE CD1 C 13 12.335 . . 1 . . . . 6 ILE CD1 . 11034 1 50 . 1 1 6 6 ILE HD11 H 1 0.862 . . 1 . . . . 6 ILE HD11 . 11034 1 51 . 1 1 6 6 ILE HD12 H 1 0.862 . . 1 . . . . 6 ILE HD11 . 11034 1 52 . 1 1 6 6 ILE HD13 H 1 0.862 . . 1 . . . . 6 ILE HD11 . 11034 1 53 . 1 1 6 6 ILE CG2 C 13 17.491 . . 1 . . . . 6 ILE CG2 . 11034 1 54 . 1 1 6 6 ILE HG21 H 1 1.043 . . 1 . . . . 6 ILE HG21 . 11034 1 55 . 1 1 6 6 ILE HG22 H 1 1.043 . . 1 . . . . 6 ILE HG21 . 11034 1 56 . 1 1 6 6 ILE HG23 H 1 1.043 . . 1 . . . . 6 ILE HG21 . 11034 1 57 . 1 1 6 6 ILE C C 13 176.395 . . 1 . . . . 6 ILE C . 11034 1 58 . 1 1 7 7 VAL N N 15 126.096 . . 1 . . . . 7 VAL N . 11034 1 59 . 1 1 7 7 VAL H H 1 8.237 . . 1 . . . . 7 VAL HN . 11034 1 60 . 1 1 7 7 VAL CA C 13 60.516 . . 1 . . . . 7 VAL CA . 11034 1 61 . 1 1 7 7 VAL HA H 1 5.002 . . 1 . . . . 7 VAL HA . 11034 1 62 . 1 1 7 7 VAL CB C 13 32.807 . . 1 . . . . 7 VAL CB . 11034 1 63 . 1 1 7 7 VAL HB H 1 1.651 . . 1 . . . . 7 VAL HB . 11034 1 64 . 1 1 7 7 VAL CG2 C 13 20.233 . . 1 . . . . 7 VAL CG2 . 11034 1 65 . 1 1 7 7 VAL HG21 H 1 0.263 . . 2 . . . . 7 VAL HG21 . 11034 1 66 . 1 1 7 7 VAL HG22 H 1 0.263 . . 2 . . . . 7 VAL HG21 . 11034 1 67 . 1 1 7 7 VAL HG23 H 1 0.263 . . 2 . . . . 7 VAL HG21 . 11034 1 68 . 1 1 7 7 VAL CG1 C 13 21.235 . . 1 . . . . 7 VAL CG1 . 11034 1 69 . 1 1 7 7 VAL HG11 H 1 0.514 . . 2 . . . . 7 VAL HG11 . 11034 1 70 . 1 1 7 7 VAL HG12 H 1 0.514 . . 2 . . . . 7 VAL HG11 . 11034 1 71 . 1 1 7 7 VAL HG13 H 1 0.514 . . 2 . . . . 7 VAL HG11 . 11034 1 72 . 1 1 7 7 VAL C C 13 179.140 . . 1 . . . . 7 VAL C . 11034 1 73 . 1 1 8 8 ARG N N 15 127.158 . . 1 . . . . 8 ARG N . 11034 1 74 . 1 1 8 8 ARG H H 1 9.070 . . 1 . . . . 8 ARG HN . 11034 1 75 . 1 1 8 8 ARG CA C 13 52.551 . . 1 . . . . 8 ARG CA . 11034 1 76 . 1 1 8 8 ARG HA H 1 4.805 . . 1 . . . . 8 ARG HA . 11034 1 77 . 1 1 8 8 ARG CB C 13 34.444 . . 1 . . . . 8 ARG CB . 11034 1 78 . 1 1 8 8 ARG HB3 H 1 2.046 . . 2 . . . . 8 ARG HB2 . 11034 1 79 . 1 1 8 8 ARG HB2 H 1 1.613 . . 2 . . . . 8 ARG HB1 . 11034 1 80 . 1 1 8 8 ARG CG C 13 26.603 . . 1 . . . . 8 ARG CG . 11034 1 81 . 1 1 8 8 ARG HG3 H 1 1.936 . . 2 . . . . 8 ARG HG2 . 11034 1 82 . 1 1 8 8 ARG HG2 H 1 1.371 . . 2 . . . . 8 ARG HG1 . 11034 1 83 . 1 1 8 8 ARG CD C 13 42.841 . . 1 . . . . 8 ARG CD . 11034 1 84 . 1 1 8 8 ARG HD3 H 1 3.605 . . 2 . . . . 8 ARG HD2 . 11034 1 85 . 1 1 8 8 ARG HD2 H 1 3.226 . . 2 . . . . 8 ARG HD1 . 11034 1 86 . 1 1 8 8 ARG C C 13 176.302 . . 1 . . . . 8 ARG C . 11034 1 87 . 1 1 9 9 ARG N N 15 118.729 . . 1 . . . . 9 ARG N . 11034 1 88 . 1 1 9 9 ARG H H 1 8.630 . . 1 . . . . 9 ARG HN . 11034 1 89 . 1 1 9 9 ARG CA C 13 54.299 . . 1 . . . . 9 ARG CA . 11034 1 90 . 1 1 9 9 ARG HA H 1 5.115 . . 1 . . . . 9 ARG HA . 11034 1 91 . 1 1 9 9 ARG CB C 13 31.277 . . 1 . . . . 9 ARG CB . 11034 1 92 . 1 1 9 9 ARG HB3 H 1 1.600 . . 2 . . . . 9 ARG HB2 . 11034 1 93 . 1 1 9 9 ARG HB2 H 1 1.474 . . 2 . . . . 9 ARG HB1 . 11034 1 94 . 1 1 9 9 ARG CG C 13 27.724 . . 1 . . . . 9 ARG CG . 11034 1 95 . 1 1 9 9 ARG HG3 H 1 1.558 . . 2 . . . . 9 ARG HG2 . 11034 1 96 . 1 1 9 9 ARG HG2 H 1 1.292 . . 2 . . . . 9 ARG HG1 . 11034 1 97 . 1 1 9 9 ARG CD C 13 42.412 . . 1 . . . . 9 ARG CD . 11034 1 98 . 1 1 9 9 ARG HD2 H 1 3.190 . . 2 . . . . 9 ARG HD1 . 11034 1 99 . 1 1 9 9 ARG C C 13 178.367 . . 1 . . . . 9 ARG C . 11034 1 100 . 1 1 10 10 ILE N N 15 122.469 . . 1 . . . . 10 ILE N . 11034 1 101 . 1 1 10 10 ILE H H 1 7.962 . . 1 . . . . 10 ILE HN . 11034 1 102 . 1 1 10 10 ILE CA C 13 58.715 . . 1 . . . . 10 ILE CA . 11034 1 103 . 1 1 10 10 ILE HA H 1 4.541 . . 1 . . . . 10 ILE HA . 11034 1 104 . 1 1 10 10 ILE CB C 13 39.300 . . 1 . . . . 10 ILE CB . 11034 1 105 . 1 1 10 10 ILE HB H 1 1.634 . . 1 . . . . 10 ILE HB . 11034 1 106 . 1 1 10 10 ILE CG1 C 13 22.119 . . 1 . . . . 10 ILE CG1 . 11034 1 107 . 1 1 10 10 ILE HG13 H 1 1.325 . . 1 . . . . 10 ILE HG12 . 11034 1 108 . 1 1 10 10 ILE HG12 H 1 1.248 . . 1 . . . . 10 ILE HG11 . 11034 1 109 . 1 1 10 10 ILE CD1 C 13 13.644 . . 1 . . . . 10 ILE CD1 . 11034 1 110 . 1 1 10 10 ILE HD11 H 1 0.702 . . 1 . . . . 10 ILE HD11 . 11034 1 111 . 1 1 10 10 ILE HD12 H 1 0.702 . . 1 . . . . 10 ILE HD11 . 11034 1 112 . 1 1 10 10 ILE HD13 H 1 0.702 . . 1 . . . . 10 ILE HD11 . 11034 1 113 . 1 1 10 10 ILE CG2 C 13 16.201 . . 1 . . . . 10 ILE CG2 . 11034 1 114 . 1 1 10 10 ILE HG21 H 1 1.046 . . 1 . . . . 10 ILE HG21 . 11034 1 115 . 1 1 10 10 ILE HG22 H 1 1.046 . . 1 . . . . 10 ILE HG21 . 11034 1 116 . 1 1 10 10 ILE HG23 H 1 1.046 . . 1 . . . . 10 ILE HG21 . 11034 1 117 . 1 1 10 10 ILE C C 13 177.681 . . 1 . . . . 10 ILE C . 11034 1 118 . 1 1 11 11 ASP N N 15 127.298 . . 1 . . . . 11 ASP N . 11034 1 119 . 1 1 11 11 ASP H H 1 8.557 . . 1 . . . . 11 ASP HN . 11034 1 120 . 1 1 11 11 ASP CA C 13 52.440 . . 1 . . . . 11 ASP CA . 11034 1 121 . 1 1 11 11 ASP HA H 1 4.889 . . 1 . . . . 11 ASP HA . 11034 1 122 . 1 1 11 11 ASP CB C 13 40.972 . . 1 . . . . 11 ASP CB . 11034 1 123 . 1 1 11 11 ASP HB3 H 1 3.402 . . 2 . . . . 11 ASP HB2 . 11034 1 124 . 1 1 11 11 ASP HB2 H 1 2.832 . . 2 . . . . 11 ASP HB1 . 11034 1 125 . 1 1 11 11 ASP C C 13 178.929 . . 1 . . . . 11 ASP C . 11034 1 126 . 1 1 12 12 ASP N N 15 113.147 . . 1 . . . . 12 ASP N . 11034 1 127 . 1 1 12 12 ASP H H 1 8.506 . . 1 . . . . 12 ASP HN . 11034 1 128 . 1 1 12 12 ASP CA C 13 55.100 . . 1 . . . . 12 ASP CA . 11034 1 129 . 1 1 12 12 ASP HA H 1 4.054 . . 1 . . . . 12 ASP HA . 11034 1 130 . 1 1 12 12 ASP CB C 13 38.734 . . 1 . . . . 12 ASP CB . 11034 1 131 . 1 1 12 12 ASP HB3 H 1 2.454 . . 2 . . . . 12 ASP HB2 . 11034 1 132 . 1 1 12 12 ASP HB2 H 1 2.160 . . 2 . . . . 12 ASP HB1 . 11034 1 133 . 1 1 12 12 ASP C C 13 178.444 . . 1 . . . . 12 ASP C . 11034 1 134 . 1 1 13 13 LEU N N 15 120.798 . . 1 . . . . 13 LEU N . 11034 1 135 . 1 1 13 13 LEU H H 1 8.268 . . 1 . . . . 13 LEU HN . 11034 1 136 . 1 1 13 13 LEU CA C 13 53.160 . . 1 . . . . 13 LEU CA . 11034 1 137 . 1 1 13 13 LEU HA H 1 4.510 . . 1 . . . . 13 LEU HA . 11034 1 138 . 1 1 13 13 LEU CB C 13 42.040 . . 1 . . . . 13 LEU CB . 11034 1 139 . 1 1 13 13 LEU HB3 H 1 1.777 . . 2 . . . . 13 LEU HB2 . 11034 1 140 . 1 1 13 13 LEU HB2 H 1 1.556 . . 2 . . . . 13 LEU HB1 . 11034 1 141 . 1 1 13 13 LEU CG C 13 26.504 . . 1 . . . . 13 LEU CG . 11034 1 142 . 1 1 13 13 LEU HG H 1 1.604 . . 1 . . . . 13 LEU HG . 11034 1 143 . 1 1 13 13 LEU CD1 C 13 22.893 . . 1 . . . . 13 LEU CD1 . 11034 1 144 . 1 1 13 13 LEU HD11 H 1 0.836 . . 2 . . . . 13 LEU HD11 . 11034 1 145 . 1 1 13 13 LEU HD12 H 1 0.836 . . 2 . . . . 13 LEU HD11 . 11034 1 146 . 1 1 13 13 LEU HD13 H 1 0.836 . . 2 . . . . 13 LEU HD11 . 11034 1 147 . 1 1 13 13 LEU CD2 C 13 24.249 . . 1 . . . . 13 LEU CD2 . 11034 1 148 . 1 1 13 13 LEU HD21 H 1 0.829 . . 2 . . . . 13 LEU HD21 . 11034 1 149 . 1 1 13 13 LEU HD22 H 1 0.829 . . 2 . . . . 13 LEU HD21 . 11034 1 150 . 1 1 13 13 LEU HD23 H 1 0.829 . . 2 . . . . 13 LEU HD21 . 11034 1 151 . 1 1 13 13 LEU C C 13 178.487 . . 1 . . . . 13 LEU C . 11034 1 152 . 1 1 14 14 GLY N N 15 106.617 . . 1 . . . . 14 GLY N . 11034 1 153 . 1 1 14 14 GLY H H 1 7.978 . . 1 . . . . 14 GLY HN . 11034 1 154 . 1 1 14 14 GLY CA C 13 44.441 . . 1 . . . . 14 GLY CA . 11034 1 155 . 1 1 14 14 GLY HA3 H 1 3.380 . . 2 . . . . 14 GLY HA2 . 11034 1 156 . 1 1 14 14 GLY HA2 H 1 4.168 . . 2 . . . . 14 GLY HA1 . 11034 1 157 . 1 1 14 14 GLY C C 13 174.619 . . 1 . . . . 14 GLY C . 11034 1 158 . 1 1 15 15 ARG N N 15 116.828 . . 1 . . . . 15 ARG N . 11034 1 159 . 1 1 15 15 ARG H H 1 8.530 . . 1 . . . . 15 ARG HN . 11034 1 160 . 1 1 15 15 ARG CA C 13 54.284 . . 1 . . . . 15 ARG CA . 11034 1 161 . 1 1 15 15 ARG HA H 1 5.202 . . 1 . . . . 15 ARG HA . 11034 1 162 . 1 1 15 15 ARG CB C 13 31.579 . . 1 . . . . 15 ARG CB . 11034 1 163 . 1 1 15 15 ARG HB3 H 1 2.222 . . 2 . . . . 15 ARG HB2 . 11034 1 164 . 1 1 15 15 ARG HB2 H 1 1.234 . . 2 . . . . 15 ARG HB1 . 11034 1 165 . 1 1 15 15 ARG CG C 13 26.559 . . 1 . . . . 15 ARG CG . 11034 1 166 . 1 1 15 15 ARG HG3 H 1 1.593 . . 2 . . . . 15 ARG HG2 . 11034 1 167 . 1 1 15 15 ARG HG2 H 1 1.434 . . 2 . . . . 15 ARG HG1 . 11034 1 168 . 1 1 15 15 ARG CD C 13 42.739 . . 1 . . . . 15 ARG CD . 11034 1 169 . 1 1 15 15 ARG HD3 H 1 3.285 . . 2 . . . . 15 ARG HD2 . 11034 1 170 . 1 1 15 15 ARG HD2 H 1 2.700 . . 2 . . . . 15 ARG HD1 . 11034 1 171 . 1 1 15 15 ARG C C 13 178.314 . . 1 . . . . 15 ARG C . 11034 1 172 . 1 1 16 16 VAL N N 15 119.216 . . 1 . . . . 16 VAL N . 11034 1 173 . 1 1 16 16 VAL H H 1 8.481 . . 1 . . . . 16 VAL HN . 11034 1 174 . 1 1 16 16 VAL CA C 13 58.123 . . 1 . . . . 16 VAL CA . 11034 1 175 . 1 1 16 16 VAL HA H 1 4.494 . . 1 . . . . 16 VAL HA . 11034 1 176 . 1 1 16 16 VAL CB C 13 36.071 . . 1 . . . . 16 VAL CB . 11034 1 177 . 1 1 16 16 VAL HB H 1 1.634 . . 1 . . . . 16 VAL HB . 11034 1 178 . 1 1 16 16 VAL CG2 C 13 19.280 . . 1 . . . . 16 VAL CG2 . 11034 1 179 . 1 1 16 16 VAL HG21 H 1 0.723 . . 2 . . . . 16 VAL HG21 . 11034 1 180 . 1 1 16 16 VAL HG22 H 1 0.723 . . 2 . . . . 16 VAL HG21 . 11034 1 181 . 1 1 16 16 VAL HG23 H 1 0.723 . . 2 . . . . 16 VAL HG21 . 11034 1 182 . 1 1 16 16 VAL CG1 C 13 20.552 . . 1 . . . . 16 VAL CG1 . 11034 1 183 . 1 1 16 16 VAL HG11 H 1 0.514 . . 2 . . . . 16 VAL HG11 . 11034 1 184 . 1 1 16 16 VAL HG12 H 1 0.514 . . 2 . . . . 16 VAL HG11 . 11034 1 185 . 1 1 16 16 VAL HG13 H 1 0.514 . . 2 . . . . 16 VAL HG11 . 11034 1 186 . 1 1 16 16 VAL C C 13 174.742 . . 1 . . . . 16 VAL C . 11034 1 187 . 1 1 17 17 VAL N N 15 125.420 . . 1 . . . . 17 VAL N . 11034 1 188 . 1 1 17 17 VAL H H 1 7.990 . . 1 . . . . 17 VAL HN . 11034 1 189 . 1 1 17 17 VAL CA C 13 61.551 . . 1 . . . . 17 VAL CA . 11034 1 190 . 1 1 17 17 VAL HA H 1 3.882 . . 1 . . . . 17 VAL HA . 11034 1 191 . 1 1 17 17 VAL CB C 13 32.136 . . 1 . . . . 17 VAL CB . 11034 1 192 . 1 1 17 17 VAL HB H 1 1.871 . . 1 . . . . 17 VAL HB . 11034 1 193 . 1 1 17 17 VAL CG2 C 13 21.636 . . 1 . . . . 17 VAL CG2 . 11034 1 194 . 1 1 17 17 VAL HG21 H 1 0.940 . . 2 . . . . 17 VAL HG21 . 11034 1 195 . 1 1 17 17 VAL HG22 H 1 0.940 . . 2 . . . . 17 VAL HG21 . 11034 1 196 . 1 1 17 17 VAL HG23 H 1 0.940 . . 2 . . . . 17 VAL HG21 . 11034 1 197 . 1 1 17 17 VAL CG1 C 13 20.898 . . 1 . . . . 17 VAL CG1 . 11034 1 198 . 1 1 17 17 VAL HG11 H 1 0.829 . . 2 . . . . 17 VAL HG11 . 11034 1 199 . 1 1 17 17 VAL HG12 H 1 0.829 . . 2 . . . . 17 VAL HG11 . 11034 1 200 . 1 1 17 17 VAL HG13 H 1 0.829 . . 2 . . . . 17 VAL HG11 . 11034 1 201 . 1 1 17 17 VAL C C 13 176.487 . . 1 . . . . 17 VAL C . 11034 1 202 . 1 1 18 18 ILE N N 15 125.876 . . 1 . . . . 18 ILE N . 11034 1 203 . 1 1 18 18 ILE H H 1 8.527 . . 1 . . . . 18 ILE HN . 11034 1 204 . 1 1 18 18 ILE CA C 13 56.210 . . 1 . . . . 18 ILE CA . 11034 1 205 . 1 1 18 18 ILE HA H 1 4.332 . . 1 . . . . 18 ILE HA . 11034 1 206 . 1 1 18 18 ILE CB C 13 35.827 . . 1 . . . . 18 ILE CB . 11034 1 207 . 1 1 18 18 ILE HB H 1 1.971 . . 1 . . . . 18 ILE HB . 11034 1 208 . 1 1 18 18 ILE CG1 C 13 29.192 . . 1 . . . . 18 ILE CG1 . 11034 1 209 . 1 1 18 18 ILE HG13 H 1 2.141 . . 1 . . . . 18 ILE HG12 . 11034 1 210 . 1 1 18 18 ILE HG12 H 1 1.280 . . 1 . . . . 18 ILE HG11 . 11034 1 211 . 1 1 18 18 ILE CD1 C 13 17.683 . . 1 . . . . 18 ILE CD1 . 11034 1 212 . 1 1 18 18 ILE HD11 H 1 0.927 . . 1 . . . . 18 ILE HD11 . 11034 1 213 . 1 1 18 18 ILE HD12 H 1 0.927 . . 1 . . . . 18 ILE HD11 . 11034 1 214 . 1 1 18 18 ILE HD13 H 1 0.927 . . 1 . . . . 18 ILE HD11 . 11034 1 215 . 1 1 18 18 ILE CG2 C 13 21.236 . . 1 . . . . 18 ILE CG2 . 11034 1 216 . 1 1 18 18 ILE HG21 H 1 0.960 . . 1 . . . . 18 ILE HG21 . 11034 1 217 . 1 1 18 18 ILE HG22 H 1 0.960 . . 1 . . . . 18 ILE HG21 . 11034 1 218 . 1 1 18 18 ILE HG23 H 1 0.960 . . 1 . . . . 18 ILE HG21 . 11034 1 219 . 1 1 18 18 ILE C C 13 176.060 . . 1 . . . . 18 ILE C . 11034 1 220 . 1 1 19 19 PRO CA C 13 62.944 . . 1 . . . . 19 PRO CA . 11034 1 221 . 1 1 19 19 PRO HA H 1 4.549 . . 1 . . . . 19 PRO HA . 11034 1 222 . 1 1 19 19 PRO CB C 13 32.802 . . 1 . . . . 19 PRO CB . 11034 1 223 . 1 1 19 19 PRO HB3 H 1 2.689 . . 2 . . . . 19 PRO HB2 . 11034 1 224 . 1 1 19 19 PRO HB2 H 1 1.834 . . 2 . . . . 19 PRO HB1 . 11034 1 225 . 1 1 19 19 PRO CG C 13 27.694 . . 1 . . . . 19 PRO CG . 11034 1 226 . 1 1 19 19 PRO HG3 H 1 1.967 . . 2 . . . . 19 PRO HG2 . 11034 1 227 . 1 1 19 19 PRO HG2 H 1 1.921 . . 2 . . . . 19 PRO HG1 . 11034 1 228 . 1 1 19 19 PRO CD C 13 50.785 . . 1 . . . . 19 PRO CD . 11034 1 229 . 1 1 19 19 PRO HD3 H 1 3.364 . . 2 . . . . 19 PRO HD2 . 11034 1 230 . 1 1 19 19 PRO HD2 H 1 4.437 . . 2 . . . . 19 PRO HD1 . 11034 1 231 . 1 1 19 19 PRO C C 13 178.970 . . 1 . . . . 19 PRO C . 11034 1 232 . 1 1 20 20 LYS N N 15 126.618 . . 1 . . . . 20 LYS N . 11034 1 233 . 1 1 20 20 LYS H H 1 9.014 . . 1 . . . . 20 LYS HN . 11034 1 234 . 1 1 20 20 LYS CA C 13 59.765 . . 1 . . . . 20 LYS CA . 11034 1 235 . 1 1 20 20 LYS HA H 1 3.756 . . 1 . . . . 20 LYS HA . 11034 1 236 . 1 1 20 20 LYS CB C 13 31.684 . . 1 . . . . 20 LYS CB . 11034 1 237 . 1 1 20 20 LYS HB3 H 1 1.955 . . 2 . . . . 20 LYS HB2 . 11034 1 238 . 1 1 20 20 LYS HB2 H 1 1.895 . . 2 . . . . 20 LYS HB1 . 11034 1 239 . 1 1 20 20 LYS CG C 13 23.878 . . 1 . . . . 20 LYS CG . 11034 1 240 . 1 1 20 20 LYS HG3 H 1 1.597 . . 2 . . . . 20 LYS HG2 . 11034 1 241 . 1 1 20 20 LYS HG2 H 1 1.487 . . 2 . . . . 20 LYS HG1 . 11034 1 242 . 1 1 20 20 LYS CD C 13 28.912 . . 1 . . . . 20 LYS CD . 11034 1 243 . 1 1 20 20 LYS HD3 H 1 1.708 . . 2 . . . . 20 LYS HD2 . 11034 1 244 . 1 1 20 20 LYS HD2 H 1 1.165 . . 2 . . . . 20 LYS HD1 . 11034 1 245 . 1 1 20 20 LYS CE C 13 41.096 . . 1 . . . . 20 LYS CE . 11034 1 246 . 1 1 20 20 LYS HE2 H 1 3.035 . . 2 . . . . 20 LYS HE2 . 11034 1 247 . 1 1 20 20 LYS C C 13 179.313 . . 1 . . . . 20 LYS C . 11034 1 248 . 1 1 21 21 GLU N N 15 117.455 . . 1 . . . . 21 GLU N . 11034 1 249 . 1 1 21 21 GLU H H 1 9.856 . . 1 . . . . 21 GLU HN . 11034 1 250 . 1 1 21 21 GLU CA C 13 59.771 . . 1 . . . . 21 GLU CA . 11034 1 251 . 1 1 21 21 GLU HA H 1 4.110 . . 1 . . . . 21 GLU HA . 11034 1 252 . 1 1 21 21 GLU CB C 13 28.626 . . 1 . . . . 21 GLU CB . 11034 1 253 . 1 1 21 21 GLU HB2 H 1 2.023 . . 2 . . . . 21 GLU HB2 . 11034 1 254 . 1 1 21 21 GLU CG C 13 36.095 . . 1 . . . . 21 GLU CG . 11034 1 255 . 1 1 21 21 GLU HG3 H 1 2.391 . . 2 . . . . 21 GLU HG2 . 11034 1 256 . 1 1 21 21 GLU HG2 H 1 2.326 . . 2 . . . . 21 GLU HG1 . 11034 1 257 . 1 1 21 21 GLU C C 13 180.774 . . 1 . . . . 21 GLU C . 11034 1 258 . 1 1 22 22 ILE N N 15 118.288 . . 1 . . . . 22 ILE N . 11034 1 259 . 1 1 22 22 ILE H H 1 7.074 . . 1 . . . . 22 ILE HN . 11034 1 260 . 1 1 22 22 ILE CA C 13 63.046 . . 1 . . . . 22 ILE CA . 11034 1 261 . 1 1 22 22 ILE HA H 1 3.849 . . 1 . . . . 22 ILE HA . 11034 1 262 . 1 1 22 22 ILE CB C 13 36.466 . . 1 . . . . 22 ILE CB . 11034 1 263 . 1 1 22 22 ILE HB H 1 1.950 . . 1 . . . . 22 ILE HB . 11034 1 264 . 1 1 22 22 ILE CG1 C 13 27.784 . . 1 . . . . 22 ILE CG1 . 11034 1 265 . 1 1 22 22 ILE HG13 H 1 1.556 . . 1 . . . . 22 ILE HG12 . 11034 1 266 . 1 1 22 22 ILE HG12 H 1 1.233 . . 1 . . . . 22 ILE HG11 . 11034 1 267 . 1 1 22 22 ILE CD1 C 13 11.927 . . 1 . . . . 22 ILE CD1 . 11034 1 268 . 1 1 22 22 ILE HD11 H 1 0.799 . . 1 . . . . 22 ILE HD11 . 11034 1 269 . 1 1 22 22 ILE HD12 H 1 0.799 . . 1 . . . . 22 ILE HD11 . 11034 1 270 . 1 1 22 22 ILE HD13 H 1 0.799 . . 1 . . . . 22 ILE HD11 . 11034 1 271 . 1 1 22 22 ILE CG2 C 13 17.235 . . 1 . . . . 22 ILE CG2 . 11034 1 272 . 1 1 22 22 ILE HG21 H 1 0.714 . . 1 . . . . 22 ILE HG21 . 11034 1 273 . 1 1 22 22 ILE HG22 H 1 0.714 . . 1 . . . . 22 ILE HG21 . 11034 1 274 . 1 1 22 22 ILE HG23 H 1 0.714 . . 1 . . . . 22 ILE HG21 . 11034 1 275 . 1 1 22 22 ILE C C 13 179.924 . . 1 . . . . 22 ILE C . 11034 1 276 . 1 1 23 23 ARG N N 15 117.382 . . 1 . . . . 23 ARG N . 11034 1 277 . 1 1 23 23 ARG H H 1 7.830 . . 1 . . . . 23 ARG HN . 11034 1 278 . 1 1 23 23 ARG CA C 13 60.379 . . 1 . . . . 23 ARG CA . 11034 1 279 . 1 1 23 23 ARG HA H 1 3.764 . . 1 . . . . 23 ARG HA . 11034 1 280 . 1 1 23 23 ARG CB C 13 28.923 . . 1 . . . . 23 ARG CB . 11034 1 281 . 1 1 23 23 ARG HB3 H 1 2.157 . . 2 . . . . 23 ARG HB2 . 11034 1 282 . 1 1 23 23 ARG HB2 H 1 1.718 . . 2 . . . . 23 ARG HB1 . 11034 1 283 . 1 1 23 23 ARG HG3 H 1 1.587 . . 2 . . . . 23 ARG HG2 . 11034 1 284 . 1 1 23 23 ARG HG2 H 1 1.168 . . 2 . . . . 23 ARG HG1 . 11034 1 285 . 1 1 23 23 ARG CD C 13 43.987 . . 1 . . . . 23 ARG CD . 11034 1 286 . 1 1 23 23 ARG HD3 H 1 3.363 . . 2 . . . . 23 ARG HD2 . 11034 1 287 . 1 1 23 23 ARG HD2 H 1 3.157 . . 2 . . . . 23 ARG HD1 . 11034 1 288 . 1 1 23 23 ARG C C 13 180.110 . . 1 . . . . 23 ARG C . 11034 1 289 . 1 1 24 24 ARG N N 15 115.785 . . 1 . . . . 24 ARG N . 11034 1 290 . 1 1 24 24 ARG H H 1 8.431 . . 1 . . . . 24 ARG HN . 11034 1 291 . 1 1 24 24 ARG CA C 13 58.531 . . 1 . . . . 24 ARG CA . 11034 1 292 . 1 1 24 24 ARG HA H 1 4.183 . . 1 . . . . 24 ARG HA . 11034 1 293 . 1 1 24 24 ARG CB C 13 29.763 . . 1 . . . . 24 ARG CB . 11034 1 294 . 1 1 24 24 ARG HB3 H 1 1.924 . . 2 . . . . 24 ARG HB2 . 11034 1 295 . 1 1 24 24 ARG HB2 H 1 2.128 . . 2 . . . . 24 ARG HB1 . 11034 1 296 . 1 1 24 24 ARG CG C 13 26.173 . . 1 . . . . 24 ARG CG . 11034 1 297 . 1 1 24 24 ARG HG3 H 1 1.783 . . 2 . . . . 24 ARG HG2 . 11034 1 298 . 1 1 24 24 ARG HG2 H 1 1.651 . . 2 . . . . 24 ARG HG1 . 11034 1 299 . 1 1 24 24 ARG CD C 13 42.396 . . 1 . . . . 24 ARG CD . 11034 1 300 . 1 1 24 24 ARG HD2 H 1 3.260 . . 2 . . . . 24 ARG HD2 . 11034 1 301 . 1 1 24 24 ARG C C 13 181.515 . . 1 . . . . 24 ARG C . 11034 1 302 . 1 1 25 25 THR N N 15 115.618 . . 1 . . . . 25 THR N . 11034 1 303 . 1 1 25 25 THR H H 1 7.733 . . 1 . . . . 25 THR HN . 11034 1 304 . 1 1 25 25 THR CA C 13 65.778 . . 1 . . . . 25 THR CA . 11034 1 305 . 1 1 25 25 THR HA H 1 3.994 . . 1 . . . . 25 THR HA . 11034 1 306 . 1 1 25 25 THR CB C 13 68.590 . . 1 . . . . 25 THR CB . 11034 1 307 . 1 1 25 25 THR HB H 1 4.256 . . 1 . . . . 25 THR HB . 11034 1 308 . 1 1 25 25 THR CG2 C 13 21.714 . . 1 . . . . 25 THR CG2 . 11034 1 309 . 1 1 25 25 THR HG21 H 1 1.328 . . 1 . . . . 25 THR HG21 . 11034 1 310 . 1 1 25 25 THR HG22 H 1 1.328 . . 1 . . . . 25 THR HG21 . 11034 1 311 . 1 1 25 25 THR HG23 H 1 1.328 . . 1 . . . . 25 THR HG21 . 11034 1 312 . 1 1 25 25 THR C C 13 177.350 . . 1 . . . . 25 THR C . 11034 1 313 . 1 1 26 26 LEU N N 15 117.244 . . 1 . . . . 26 LEU N . 11034 1 314 . 1 1 26 26 LEU H H 1 7.796 . . 1 . . . . 26 LEU HN . 11034 1 315 . 1 1 26 26 LEU CA C 13 54.352 . . 1 . . . . 26 LEU CA . 11034 1 316 . 1 1 26 26 LEU HA H 1 4.368 . . 1 . . . . 26 LEU HA . 11034 1 317 . 1 1 26 26 LEU CB C 13 42.330 . . 1 . . . . 26 LEU CB . 11034 1 318 . 1 1 26 26 LEU HB2 H 1 1.608 . . 2 . . . . 26 LEU HB2 . 11034 1 319 . 1 1 26 26 LEU CG C 13 25.107 . . 1 . . . . 26 LEU CG . 11034 1 320 . 1 1 26 26 LEU HG H 1 2.311 . . 1 . . . . 26 LEU HG . 11034 1 321 . 1 1 26 26 LEU CD1 C 13 21.914 . . 1 . . . . 26 LEU CD1 . 11034 1 322 . 1 1 26 26 LEU HD11 H 1 0.871 . . 2 . . . . 26 LEU HD11 . 11034 1 323 . 1 1 26 26 LEU HD12 H 1 0.871 . . 2 . . . . 26 LEU HD11 . 11034 1 324 . 1 1 26 26 LEU HD13 H 1 0.871 . . 2 . . . . 26 LEU HD11 . 11034 1 325 . 1 1 26 26 LEU CD2 C 13 17.448 . . 1 . . . . 26 LEU CD2 . 11034 1 326 . 1 1 26 26 LEU HD21 H 1 0.774 . . 2 . . . . 26 LEU HD21 . 11034 1 327 . 1 1 26 26 LEU HD22 H 1 0.774 . . 2 . . . . 26 LEU HD21 . 11034 1 328 . 1 1 26 26 LEU HD23 H 1 0.774 . . 2 . . . . 26 LEU HD21 . 11034 1 329 . 1 1 26 26 LEU C C 13 177.163 . . 1 . . . . 26 LEU C . 11034 1 330 . 1 1 27 27 ARG N N 15 116.574 . . 1 . . . . 27 ARG N . 11034 1 331 . 1 1 27 27 ARG H H 1 7.720 . . 1 . . . . 27 ARG HN . 11034 1 332 . 1 1 27 27 ARG CA C 13 56.737 . . 1 . . . . 27 ARG CA . 11034 1 333 . 1 1 27 27 ARG HA H 1 3.872 . . 1 . . . . 27 ARG HA . 11034 1 334 . 1 1 27 27 ARG CB C 13 25.656 . . 1 . . . . 27 ARG CB . 11034 1 335 . 1 1 27 27 ARG HB3 H 1 2.085 . . 2 . . . . 27 ARG HB2 . 11034 1 336 . 1 1 27 27 ARG HB2 H 1 1.927 . . 2 . . . . 27 ARG HB1 . 11034 1 337 . 1 1 27 27 ARG HG2 H 1 1.650 . . 2 . . . . 27 ARG HG2 . 11034 1 338 . 1 1 27 27 ARG CD C 13 42.720 . . 1 . . . . 27 ARG CD . 11034 1 339 . 1 1 27 27 ARG HD2 H 1 3.277 . . 2 . . . . 27 ARG HD2 . 11034 1 340 . 1 1 27 27 ARG C C 13 176.893 . . 1 . . . . 27 ARG C . 11034 1 341 . 1 1 28 28 ILE N N 15 116.788 . . 1 . . . . 28 ILE N . 11034 1 342 . 1 1 28 28 ILE H H 1 8.332 . . 1 . . . . 28 ILE HN . 11034 1 343 . 1 1 28 28 ILE CA C 13 60.527 . . 1 . . . . 28 ILE CA . 11034 1 344 . 1 1 28 28 ILE HA H 1 4.465 . . 1 . . . . 28 ILE HA . 11034 1 345 . 1 1 28 28 ILE CB C 13 39.882 . . 1 . . . . 28 ILE CB . 11034 1 346 . 1 1 28 28 ILE HB H 1 1.562 . . 1 . . . . 28 ILE HB . 11034 1 347 . 1 1 28 28 ILE CG1 C 13 23.121 . . 1 . . . . 28 ILE CG1 . 11034 1 348 . 1 1 28 28 ILE CD1 C 13 13.281 . . 1 . . . . 28 ILE CD1 . 11034 1 349 . 1 1 28 28 ILE HD11 H 1 0.760 . . 1 . . . . 28 ILE HD11 . 11034 1 350 . 1 1 28 28 ILE HD12 H 1 0.760 . . 1 . . . . 28 ILE HD11 . 11034 1 351 . 1 1 28 28 ILE HD13 H 1 0.760 . . 1 . . . . 28 ILE HD11 . 11034 1 352 . 1 1 28 28 ILE CG2 C 13 18.214 . . 1 . . . . 28 ILE CG2 . 11034 1 353 . 1 1 28 28 ILE HG21 H 1 0.926 . . 1 . . . . 28 ILE HG21 . 11034 1 354 . 1 1 28 28 ILE HG22 H 1 0.926 . . 1 . . . . 28 ILE HG21 . 11034 1 355 . 1 1 28 28 ILE HG23 H 1 0.926 . . 1 . . . . 28 ILE HG21 . 11034 1 356 . 1 1 28 28 ILE C C 13 176.976 . . 1 . . . . 28 ILE C . 11034 1 357 . 1 1 29 29 ARG N N 15 128.150 . . 1 . . . . 29 ARG N . 11034 1 358 . 1 1 29 29 ARG H H 1 9.187 . . 1 . . . . 29 ARG HN . 11034 1 359 . 1 1 29 29 ARG CA C 13 53.925 . . 1 . . . . 29 ARG CA . 11034 1 360 . 1 1 29 29 ARG HA H 1 4.472 . . 1 . . . . 29 ARG HA . 11034 1 361 . 1 1 29 29 ARG CB C 13 31.701 . . 1 . . . . 29 ARG CB . 11034 1 362 . 1 1 29 29 ARG HB3 H 1 1.842 . . 2 . . . . 29 ARG HB2 . 11034 1 363 . 1 1 29 29 ARG HB2 H 1 1.739 . . 2 . . . . 29 ARG HB1 . 11034 1 364 . 1 1 29 29 ARG CG C 13 25.886 . . 1 . . . . 29 ARG CG . 11034 1 365 . 1 1 29 29 ARG HG3 H 1 1.679 . . 2 . . . . 29 ARG HG2 . 11034 1 366 . 1 1 29 29 ARG HG2 H 1 1.608 . . 2 . . . . 29 ARG HG1 . 11034 1 367 . 1 1 29 29 ARG CD C 13 42.435 . . 1 . . . . 29 ARG CD . 11034 1 368 . 1 1 29 29 ARG HD2 H 1 3.221 . . 2 . . . . 29 ARG HD2 . 11034 1 369 . 1 1 29 29 ARG C C 13 176.397 . . 1 . . . . 29 ARG C . 11034 1 370 . 1 1 30 30 GLU N N 15 119.127 . . 1 . . . . 30 GLU N . 11034 1 371 . 1 1 30 30 GLU H H 1 8.813 . . 1 . . . . 30 GLU HN . 11034 1 372 . 1 1 30 30 GLU CA C 13 58.715 . . 1 . . . . 30 GLU CA . 11034 1 373 . 1 1 30 30 GLU HA H 1 3.642 . . 1 . . . . 30 GLU HA . 11034 1 374 . 1 1 30 30 GLU CB C 13 27.910 . . 1 . . . . 30 GLU CB . 11034 1 375 . 1 1 30 30 GLU HB2 H 1 1.952 . . 2 . . . . 30 GLU HB2 . 11034 1 376 . 1 1 30 30 GLU CG C 13 35.599 . . 1 . . . . 30 GLU CG . 11034 1 377 . 1 1 30 30 GLU HG3 H 1 2.156 . . 2 . . . . 30 GLU HG2 . 11034 1 378 . 1 1 30 30 GLU HG2 H 1 2.441 . . 2 . . . . 30 GLU HG1 . 11034 1 379 . 1 1 30 30 GLU C C 13 178.085 . . 1 . . . . 30 GLU C . 11034 1 380 . 1 1 31 31 GLY N N 15 113.446 . . 1 . . . . 31 GLY N . 11034 1 381 . 1 1 31 31 GLY H H 1 8.365 . . 1 . . . . 31 GLY HN . 11034 1 382 . 1 1 31 31 GLY CA C 13 44.684 . . 1 . . . . 31 GLY CA . 11034 1 383 . 1 1 31 31 GLY HA3 H 1 4.401 . . 2 . . . . 31 GLY HA2 . 11034 1 384 . 1 1 31 31 GLY HA2 H 1 3.749 . . 2 . . . . 31 GLY HA1 . 11034 1 385 . 1 1 31 31 GLY C C 13 175.765 . . 1 . . . . 31 GLY C . 11034 1 386 . 1 1 32 32 ASP N N 15 121.874 . . 1 . . . . 32 ASP N . 11034 1 387 . 1 1 32 32 ASP H H 1 8.288 . . 1 . . . . 32 ASP HN . 11034 1 388 . 1 1 32 32 ASP CA C 13 52.900 . . 1 . . . . 32 ASP CA . 11034 1 389 . 1 1 32 32 ASP HA H 1 4.973 . . 1 . . . . 32 ASP HA . 11034 1 390 . 1 1 32 32 ASP CB C 13 39.908 . . 1 . . . . 32 ASP CB . 11034 1 391 . 1 1 32 32 ASP HB3 H 1 3.008 . . 2 . . . . 32 ASP HB2 . 11034 1 392 . 1 1 32 32 ASP HB2 H 1 2.610 . . 2 . . . . 32 ASP HB1 . 11034 1 393 . 1 1 32 32 ASP C C 13 176.423 . . 1 . . . . 32 ASP C . 11034 1 394 . 1 1 33 33 PRO CA C 13 61.096 . . 1 . . . . 33 PRO CA . 11034 1 395 . 1 1 33 33 PRO HA H 1 4.774 . . 1 . . . . 33 PRO HA . 11034 1 396 . 1 1 33 33 PRO CB C 13 31.074 . . 1 . . . . 33 PRO CB . 11034 1 397 . 1 1 33 33 PRO HB3 H 1 2.119 . . 2 . . . . 33 PRO HB2 . 11034 1 398 . 1 1 33 33 PRO HB2 H 1 1.855 . . 2 . . . . 33 PRO HB1 . 11034 1 399 . 1 1 33 33 PRO CG C 13 28.577 . . 1 . . . . 33 PRO CG . 11034 1 400 . 1 1 33 33 PRO HG3 H 1 1.984 . . 2 . . . . 33 PRO HG2 . 11034 1 401 . 1 1 33 33 PRO HG2 H 1 1.862 . . 2 . . . . 33 PRO HG1 . 11034 1 402 . 1 1 33 33 PRO CD C 13 50.276 . . 1 . . . . 33 PRO CD . 11034 1 403 . 1 1 33 33 PRO HD3 H 1 4.079 . . 2 . . . . 33 PRO HD2 . 11034 1 404 . 1 1 33 33 PRO HD2 H 1 3.998 . . 2 . . . . 33 PRO HD1 . 11034 1 405 . 1 1 33 33 PRO C C 13 177.497 . . 1 . . . . 33 PRO C . 11034 1 406 . 1 1 34 34 LEU N N 15 123.101 . . 1 . . . . 34 LEU N . 11034 1 407 . 1 1 34 34 LEU H H 1 9.067 . . 1 . . . . 34 LEU HN . 11034 1 408 . 1 1 34 34 LEU CA C 13 52.842 . . 1 . . . . 34 LEU CA . 11034 1 409 . 1 1 34 34 LEU HA H 1 5.052 . . 1 . . . . 34 LEU HA . 11034 1 410 . 1 1 34 34 LEU CB C 13 44.012 . . 1 . . . . 34 LEU CB . 11034 1 411 . 1 1 34 34 LEU HB3 H 1 1.728 . . 2 . . . . 34 LEU HB2 . 11034 1 412 . 1 1 34 34 LEU HB2 H 1 1.237 . . 2 . . . . 34 LEU HB1 . 11034 1 413 . 1 1 34 34 LEU CG C 13 26.452 . . 1 . . . . 34 LEU CG . 11034 1 414 . 1 1 34 34 LEU HG H 1 1.719 . . 1 . . . . 34 LEU HG . 11034 1 415 . 1 1 34 34 LEU CD1 C 13 23.143 . . 1 . . . . 34 LEU CD1 . 11034 1 416 . 1 1 34 34 LEU HD11 H 1 0.786 . . 2 . . . . 34 LEU HD11 . 11034 1 417 . 1 1 34 34 LEU HD12 H 1 0.786 . . 2 . . . . 34 LEU HD11 . 11034 1 418 . 1 1 34 34 LEU HD13 H 1 0.786 . . 2 . . . . 34 LEU HD11 . 11034 1 419 . 1 1 34 34 LEU C C 13 176.051 . . 1 . . . . 34 LEU C . 11034 1 420 . 1 1 35 35 GLU N N 15 122.921 . . 1 . . . . 35 GLU N . 11034 1 421 . 1 1 35 35 GLU H H 1 9.535 . . 1 . . . . 35 GLU HN . 11034 1 422 . 1 1 35 35 GLU CA C 13 54.656 . . 1 . . . . 35 GLU CA . 11034 1 423 . 1 1 35 35 GLU HA H 1 4.218 . . 1 . . . . 35 GLU HA . 11034 1 424 . 1 1 35 35 GLU CB C 13 32.760 . . 1 . . . . 35 GLU CB . 11034 1 425 . 1 1 35 35 GLU HB3 H 1 2.180 . . 2 . . . . 35 GLU HB2 . 11034 1 426 . 1 1 35 35 GLU HB2 H 1 1.950 . . 2 . . . . 35 GLU HB1 . 11034 1 427 . 1 1 35 35 GLU CG C 13 36.096 . . 1 . . . . 35 GLU CG . 11034 1 428 . 1 1 35 35 GLU HG3 H 1 2.600 . . 2 . . . . 35 GLU HG2 . 11034 1 429 . 1 1 35 35 GLU HG2 H 1 2.485 . . 2 . . . . 35 GLU HG1 . 11034 1 430 . 1 1 35 35 GLU C C 13 177.010 . . 1 . . . . 35 GLU C . 11034 1 431 . 1 1 36 36 ILE N N 15 122.970 . . 1 . . . . 36 ILE N . 11034 1 432 . 1 1 36 36 ILE H H 1 8.514 . . 1 . . . . 36 ILE HN . 11034 1 433 . 1 1 36 36 ILE CA C 13 60.838 . . 1 . . . . 36 ILE CA . 11034 1 434 . 1 1 36 36 ILE HA H 1 4.184 . . 1 . . . . 36 ILE HA . 11034 1 435 . 1 1 36 36 ILE CB C 13 38.529 . . 1 . . . . 36 ILE CB . 11034 1 436 . 1 1 36 36 ILE HB H 1 1.888 . . 1 . . . . 36 ILE HB . 11034 1 437 . 1 1 36 36 ILE CG1 C 13 26.978 . . 1 . . . . 36 ILE CG1 . 11034 1 438 . 1 1 36 36 ILE HG13 H 1 1.491 . . 1 . . . . 36 ILE HG12 . 11034 1 439 . 1 1 36 36 ILE HG12 H 1 1.212 . . 1 . . . . 36 ILE HG11 . 11034 1 440 . 1 1 36 36 ILE CD1 C 13 13.447 . . 1 . . . . 36 ILE CD1 . 11034 1 441 . 1 1 36 36 ILE HD11 H 1 0.890 . . 1 . . . . 36 ILE HD11 . 11034 1 442 . 1 1 36 36 ILE HD12 H 1 0.890 . . 1 . . . . 36 ILE HD11 . 11034 1 443 . 1 1 36 36 ILE HD13 H 1 0.890 . . 1 . . . . 36 ILE HD11 . 11034 1 444 . 1 1 36 36 ILE CG2 C 13 17.458 . . 1 . . . . 36 ILE CG2 . 11034 1 445 . 1 1 36 36 ILE HG21 H 1 0.937 . . 1 . . . . 36 ILE HG21 . 11034 1 446 . 1 1 36 36 ILE HG22 H 1 0.937 . . 1 . . . . 36 ILE HG21 . 11034 1 447 . 1 1 36 36 ILE HG23 H 1 0.937 . . 1 . . . . 36 ILE HG21 . 11034 1 448 . 1 1 36 36 ILE C C 13 177.618 . . 1 . . . . 36 ILE C . 11034 1 449 . 1 1 37 37 PHE N N 15 125.834 . . 1 . . . . 37 PHE N . 11034 1 450 . 1 1 37 37 PHE H H 1 9.392 . . 1 . . . . 37 PHE HN . 11034 1 451 . 1 1 37 37 PHE CA C 13 55.662 . . 1 . . . . 37 PHE CA . 11034 1 452 . 1 1 37 37 PHE HA H 1 5.087 . . 1 . . . . 37 PHE HA . 11034 1 453 . 1 1 37 37 PHE CB C 13 42.260 . . 1 . . . . 37 PHE CB . 11034 1 454 . 1 1 37 37 PHE HB3 H 1 3.094 . . 2 . . . . 37 PHE HB2 . 11034 1 455 . 1 1 37 37 PHE HB2 H 1 3.023 . . 2 . . . . 37 PHE HB1 . 11034 1 456 . 1 1 37 37 PHE C C 13 175.006 . . 1 . . . . 37 PHE C . 11034 1 457 . 1 1 38 38 VAL N N 15 116.642 . . 1 . . . . 38 VAL N . 11034 1 458 . 1 1 38 38 VAL H H 1 8.519 . . 1 . . . . 38 VAL HN . 11034 1 459 . 1 1 38 38 VAL CA C 13 60.289 . . 1 . . . . 38 VAL CA . 11034 1 460 . 1 1 38 38 VAL HA H 1 5.154 . . 1 . . . . 38 VAL HA . 11034 1 461 . 1 1 38 38 VAL CB C 13 34.258 . . 1 . . . . 38 VAL CB . 11034 1 462 . 1 1 38 38 VAL HB H 1 2.065 . . 1 . . . . 38 VAL HB . 11034 1 463 . 1 1 38 38 VAL CG2 C 13 21.315 . . 1 . . . . 38 VAL CG2 . 11034 1 464 . 1 1 38 38 VAL HG21 H 1 1.049 . . 2 . . . . 38 VAL HG21 . 11034 1 465 . 1 1 38 38 VAL HG22 H 1 1.049 . . 2 . . . . 38 VAL HG21 . 11034 1 466 . 1 1 38 38 VAL HG23 H 1 1.049 . . 2 . . . . 38 VAL HG21 . 11034 1 467 . 1 1 38 38 VAL CG1 C 13 20.617 . . 1 . . . . 38 VAL CG1 . 11034 1 468 . 1 1 38 38 VAL HG11 H 1 0.772 . . 2 . . . . 38 VAL HG11 . 11034 1 469 . 1 1 38 38 VAL HG12 H 1 0.772 . . 2 . . . . 38 VAL HG11 . 11034 1 470 . 1 1 38 38 VAL HG13 H 1 0.772 . . 2 . . . . 38 VAL HG11 . 11034 1 471 . 1 1 38 38 VAL C C 13 177.654 . . 1 . . . . 38 VAL C . 11034 1 472 . 1 1 39 39 ASP N N 15 124.423 . . 1 . . . . 39 ASP N . 11034 1 473 . 1 1 39 39 ASP H H 1 8.720 . . 1 . . . . 39 ASP HN . 11034 1 474 . 1 1 39 39 ASP CA C 13 51.372 . . 1 . . . . 39 ASP CA . 11034 1 475 . 1 1 39 39 ASP HA H 1 5.014 . . 1 . . . . 39 ASP HA . 11034 1 476 . 1 1 39 39 ASP CB C 13 42.446 . . 1 . . . . 39 ASP CB . 11034 1 477 . 1 1 39 39 ASP HB3 H 1 2.827 . . 2 . . . . 39 ASP HB2 . 11034 1 478 . 1 1 39 39 ASP HB2 H 1 3.017 . . 2 . . . . 39 ASP HB1 . 11034 1 479 . 1 1 39 39 ASP C C 13 178.788 . . 1 . . . . 39 ASP C . 11034 1 480 . 1 1 40 40 ARG N N 15 117.971 . . 1 . . . . 40 ARG N . 11034 1 481 . 1 1 40 40 ARG H H 1 8.601 . . 1 . . . . 40 ARG HN . 11034 1 482 . 1 1 40 40 ARG CA C 13 57.264 . . 1 . . . . 40 ARG CA . 11034 1 483 . 1 1 40 40 ARG HA H 1 4.174 . . 1 . . . . 40 ARG HA . 11034 1 484 . 1 1 40 40 ARG CB C 13 29.007 . . 1 . . . . 40 ARG CB . 11034 1 485 . 1 1 40 40 ARG HB2 H 1 1.914 . . 2 . . . . 40 ARG HB2 . 11034 1 486 . 1 1 40 40 ARG CG C 13 25.857 . . 1 . . . . 40 ARG CG . 11034 1 487 . 1 1 40 40 ARG HG3 H 1 1.725 . . 2 . . . . 40 ARG HG2 . 11034 1 488 . 1 1 40 40 ARG HG2 H 1 1.625 . . 2 . . . . 40 ARG HG1 . 11034 1 489 . 1 1 40 40 ARG CD C 13 42.461 . . 1 . . . . 40 ARG CD . 11034 1 490 . 1 1 40 40 ARG HD2 H 1 3.232 . . 2 . . . . 40 ARG HD2 . 11034 1 491 . 1 1 40 40 ARG C C 13 177.916 . . 1 . . . . 40 ARG C . 11034 1 492 . 1 1 41 41 ASP N N 15 117.798 . . 1 . . . . 41 ASP N . 11034 1 493 . 1 1 41 41 ASP H H 1 8.138 . . 1 . . . . 41 ASP HN . 11034 1 494 . 1 1 41 41 ASP CA C 13 53.578 . . 1 . . . . 41 ASP CA . 11034 1 495 . 1 1 41 41 ASP HA H 1 4.723 . . 1 . . . . 41 ASP HA . 11034 1 496 . 1 1 41 41 ASP CB C 13 39.947 . . 1 . . . . 41 ASP CB . 11034 1 497 . 1 1 41 41 ASP HB3 H 1 2.551 . . 2 . . . . 41 ASP HB2 . 11034 1 498 . 1 1 41 41 ASP HB2 H 1 2.875 . . 2 . . . . 41 ASP HB1 . 11034 1 499 . 1 1 41 41 ASP C C 13 178.048 . . 1 . . . . 41 ASP C . 11034 1 500 . 1 1 42 42 GLY N N 15 106.809 . . 1 . . . . 42 GLY N . 11034 1 501 . 1 1 42 42 GLY H H 1 8.125 . . 1 . . . . 42 GLY HN . 11034 1 502 . 1 1 42 42 GLY CA C 13 46.017 . . 1 . . . . 42 GLY CA . 11034 1 503 . 1 1 42 42 GLY HA3 H 1 4.156 . . 2 . . . . 42 GLY HA2 . 11034 1 504 . 1 1 42 42 GLY HA2 H 1 3.647 . . 2 . . . . 42 GLY HA1 . 11034 1 505 . 1 1 42 42 GLY C C 13 174.932 . . 1 . . . . 42 GLY C . 11034 1 506 . 1 1 43 43 GLU N N 15 116.783 . . 1 . . . . 43 GLU N . 11034 1 507 . 1 1 43 43 GLU H H 1 7.909 . . 1 . . . . 43 GLU HN . 11034 1 508 . 1 1 43 43 GLU CA C 13 53.603 . . 1 . . . . 43 GLU CA . 11034 1 509 . 1 1 43 43 GLU HA H 1 4.741 . . 1 . . . . 43 GLU HA . 11034 1 510 . 1 1 43 43 GLU CB C 13 29.813 . . 1 . . . . 43 GLU CB . 11034 1 511 . 1 1 43 43 GLU HB3 H 1 1.973 . . 2 . . . . 43 GLU HB2 . 11034 1 512 . 1 1 43 43 GLU HB2 H 1 1.875 . . 2 . . . . 43 GLU HB1 . 11034 1 513 . 1 1 43 43 GLU CG C 13 35.230 . . 1 . . . . 43 GLU CG . 11034 1 514 . 1 1 43 43 GLU HG3 H 1 2.135 . . 2 . . . . 43 GLU HG2 . 11034 1 515 . 1 1 43 43 GLU HG2 H 1 2.310 . . 2 . . . . 43 GLU HG1 . 11034 1 516 . 1 1 43 43 GLU C C 13 176.455 . . 1 . . . . 43 GLU C . 11034 1 517 . 1 1 44 44 VAL N N 15 120.785 . . 1 . . . . 44 VAL N . 11034 1 518 . 1 1 44 44 VAL H H 1 8.635 . . 1 . . . . 44 VAL HN . 11034 1 519 . 1 1 44 44 VAL CA C 13 61.231 . . 1 . . . . 44 VAL CA . 11034 1 520 . 1 1 44 44 VAL HA H 1 4.503 . . 1 . . . . 44 VAL HA . 11034 1 521 . 1 1 44 44 VAL CB C 13 32.334 . . 1 . . . . 44 VAL CB . 11034 1 522 . 1 1 44 44 VAL HB H 1 2.033 . . 1 . . . . 44 VAL HB . 11034 1 523 . 1 1 44 44 VAL CG2 C 13 21.031 . . 1 . . . . 44 VAL CG2 . 11034 1 524 . 1 1 44 44 VAL HG21 H 1 0.799 . . 2 . . . . 44 VAL HG21 . 11034 1 525 . 1 1 44 44 VAL HG22 H 1 0.799 . . 2 . . . . 44 VAL HG21 . 11034 1 526 . 1 1 44 44 VAL HG23 H 1 0.799 . . 2 . . . . 44 VAL HG21 . 11034 1 527 . 1 1 44 44 VAL CG1 C 13 21.246 . . 1 . . . . 44 VAL CG1 . 11034 1 528 . 1 1 44 44 VAL HG11 H 1 0.961 . . 2 . . . . 44 VAL HG11 . 11034 1 529 . 1 1 44 44 VAL HG12 H 1 0.961 . . 2 . . . . 44 VAL HG11 . 11034 1 530 . 1 1 44 44 VAL HG13 H 1 0.961 . . 2 . . . . 44 VAL HG11 . 11034 1 531 . 1 1 44 44 VAL C C 13 175.366 . . 1 . . . . 44 VAL C . 11034 1 532 . 1 1 45 45 ILE N N 15 126.640 . . 1 . . . . 45 ILE N . 11034 1 533 . 1 1 45 45 ILE H H 1 8.972 . . 1 . . . . 45 ILE HN . 11034 1 534 . 1 1 45 45 ILE CA C 13 59.456 . . 1 . . . . 45 ILE CA . 11034 1 535 . 1 1 45 45 ILE HA H 1 4.889 . . 1 . . . . 45 ILE HA . 11034 1 536 . 1 1 45 45 ILE CB C 13 38.628 . . 1 . . . . 45 ILE CB . 11034 1 537 . 1 1 45 45 ILE HB H 1 1.633 . . 1 . . . . 45 ILE HB . 11034 1 538 . 1 1 45 45 ILE CG1 C 13 27.488 . . 1 . . . . 45 ILE CG1 . 11034 1 539 . 1 1 45 45 ILE HG13 H 1 1.077 . . 1 . . . . 45 ILE HG12 . 11034 1 540 . 1 1 45 45 ILE HG12 H 1 1.323 . . 1 . . . . 45 ILE HG11 . 11034 1 541 . 1 1 45 45 ILE CD1 C 13 13.126 . . 1 . . . . 45 ILE CD1 . 11034 1 542 . 1 1 45 45 ILE HD11 H 1 0.764 . . 1 . . . . 45 ILE HD11 . 11034 1 543 . 1 1 45 45 ILE HD12 H 1 0.764 . . 1 . . . . 45 ILE HD11 . 11034 1 544 . 1 1 45 45 ILE HD13 H 1 0.764 . . 1 . . . . 45 ILE HD11 . 11034 1 545 . 1 1 45 45 ILE CG2 C 13 17.860 . . 1 . . . . 45 ILE CG2 . 11034 1 546 . 1 1 45 45 ILE HG21 H 1 0.664 . . 1 . . . . 45 ILE HG21 . 11034 1 547 . 1 1 45 45 ILE HG22 H 1 0.664 . . 1 . . . . 45 ILE HG21 . 11034 1 548 . 1 1 45 45 ILE HG23 H 1 0.664 . . 1 . . . . 45 ILE HG21 . 11034 1 549 . 1 1 45 45 ILE C C 13 176.485 . . 1 . . . . 45 ILE C . 11034 1 550 . 1 1 46 46 LEU N N 15 123.557 . . 1 . . . . 46 LEU N . 11034 1 551 . 1 1 46 46 LEU H H 1 9.340 . . 1 . . . . 46 LEU HN . 11034 1 552 . 1 1 46 46 LEU CA C 13 52.946 . . 1 . . . . 46 LEU CA . 11034 1 553 . 1 1 46 46 LEU HA H 1 5.384 . . 1 . . . . 46 LEU HA . 11034 1 554 . 1 1 46 46 LEU CB C 13 42.721 . . 1 . . . . 46 LEU CB . 11034 1 555 . 1 1 46 46 LEU HB3 H 1 1.334 . . 2 . . . . 46 LEU HB2 . 11034 1 556 . 1 1 46 46 LEU HB2 H 1 1.725 . . 2 . . . . 46 LEU HB1 . 11034 1 557 . 1 1 46 46 LEU CG C 13 25.180 . . 1 . . . . 46 LEU CG . 11034 1 558 . 1 1 46 46 LEU HG H 1 1.638 . . 1 . . . . 46 LEU HG . 11034 1 559 . 1 1 46 46 LEU CD1 C 13 18.620 . . 1 . . . . 46 LEU CD1 . 11034 1 560 . 1 1 46 46 LEU CD2 C 13 25.292 . . 1 . . . . 46 LEU CD2 . 11034 1 561 . 1 1 46 46 LEU HD21 H 1 0.719 . . 2 . . . . 46 LEU HD21 . 11034 1 562 . 1 1 46 46 LEU HD22 H 1 0.719 . . 2 . . . . 46 LEU HD21 . 11034 1 563 . 1 1 46 46 LEU HD23 H 1 0.719 . . 2 . . . . 46 LEU HD21 . 11034 1 564 . 1 1 46 46 LEU C C 13 177.393 . . 1 . . . . 46 LEU C . 11034 1 565 . 1 1 47 47 LYS N N 15 119.462 . . 1 . . . . 47 LYS N . 11034 1 566 . 1 1 47 47 LYS H H 1 8.909 . . 1 . . . . 47 LYS HN . 11034 1 567 . 1 1 47 47 LYS CA C 13 53.220 . . 1 . . . . 47 LYS CA . 11034 1 568 . 1 1 47 47 LYS HA H 1 4.959 . . 1 . . . . 47 LYS HA . 11034 1 569 . 1 1 47 47 LYS CB C 13 35.877 . . 1 . . . . 47 LYS CB . 11034 1 570 . 1 1 47 47 LYS HB3 H 1 2.039 . . 2 . . . . 47 LYS HB2 . 11034 1 571 . 1 1 47 47 LYS HB2 H 1 1.846 . . 2 . . . . 47 LYS HB1 . 11034 1 572 . 1 1 47 47 LYS CD C 13 26.326 . . 1 . . . . 47 LYS CD . 11034 1 573 . 1 1 47 47 LYS HD3 H 1 1.613 . . 2 . . . . 47 LYS HD2 . 11034 1 574 . 1 1 47 47 LYS HD2 H 1 1.744 . . 2 . . . . 47 LYS HD1 . 11034 1 575 . 1 1 47 47 LYS CE C 13 40.718 . . 1 . . . . 47 LYS CE . 11034 1 576 . 1 1 47 47 LYS HE3 H 1 2.926 . . 2 . . . . 47 LYS HE2 . 11034 1 577 . 1 1 47 47 LYS HE2 H 1 2.836 . . 2 . . . . 47 LYS HE1 . 11034 1 578 . 1 1 48 48 LYS CA C 13 58.654 . . 1 . . . . 48 LYS CA . 11034 1 579 . 1 1 48 48 LYS HA H 1 4.251 . . 1 . . . . 48 LYS HA . 11034 1 580 . 1 1 48 48 LYS CB C 13 31.479 . . 1 . . . . 48 LYS CB . 11034 1 581 . 1 1 48 48 LYS HB3 H 1 2.224 . . 2 . . . . 48 LYS HB2 . 11034 1 582 . 1 1 48 48 LYS HB2 H 1 1.947 . . 2 . . . . 48 LYS HB1 . 11034 1 583 . 1 1 48 48 LYS CG C 13 24.477 . . 1 . . . . 48 LYS CG . 11034 1 584 . 1 1 48 48 LYS HG3 H 1 1.608 . . 2 . . . . 48 LYS HG2 . 11034 1 585 . 1 1 48 48 LYS HG2 H 1 1.463 . . 2 . . . . 48 LYS HG1 . 11034 1 586 . 1 1 48 48 LYS CD C 13 28.437 . . 1 . . . . 48 LYS CD . 11034 1 587 . 1 1 48 48 LYS HD3 H 1 1.825 . . 2 . . . . 48 LYS HD2 . 11034 1 588 . 1 1 48 48 LYS HD2 H 1 1.748 . . 2 . . . . 48 LYS HD1 . 11034 1 589 . 1 1 48 48 LYS CE C 13 41.197 . . 1 . . . . 48 LYS CE . 11034 1 590 . 1 1 48 48 LYS HE2 H 1 3.026 . . 2 . . . . 48 LYS HE2 . 11034 1 591 . 1 1 48 48 LYS C C 13 178.183 . . 1 . . . . 48 LYS C . 11034 1 592 . 1 1 49 49 TYR N N 15 125.460 . . 1 . . . . 49 TYR N . 11034 1 593 . 1 1 49 49 TYR H H 1 8.189 . . 1 . . . . 49 TYR HN . 11034 1 594 . 1 1 49 49 TYR CA C 13 57.281 . . 1 . . . . 49 TYR CA . 11034 1 595 . 1 1 49 49 TYR HA H 1 4.762 . . 1 . . . . 49 TYR HA . 11034 1 596 . 1 1 49 49 TYR CB C 13 38.697 . . 1 . . . . 49 TYR CB . 11034 1 597 . 1 1 49 49 TYR HB3 H 1 2.867 . . 2 . . . . 49 TYR HB2 . 11034 1 598 . 1 1 49 49 TYR HB2 H 1 2.714 . . 2 . . . . 49 TYR HB1 . 11034 1 599 . 1 1 49 49 TYR C C 13 176.094 . . 1 . . . . 49 TYR C . 11034 1 600 . 1 1 50 50 SER N N 15 122.040 . . 1 . . . . 50 SER N . 11034 1 601 . 1 1 50 50 SER H H 1 8.045 . . 1 . . . . 50 SER HN . 11034 1 602 . 1 1 50 50 SER CA C 13 54.280 . . 1 . . . . 50 SER CA . 11034 1 603 . 1 1 50 50 SER HA H 1 4.635 . . 1 . . . . 50 SER HA . 11034 1 604 . 1 1 50 50 SER CB C 13 62.402 . . 1 . . . . 50 SER CB . 11034 1 605 . 1 1 50 50 SER HB3 H 1 3.717 . . 2 . . . . 50 SER HB2 . 11034 1 606 . 1 1 50 50 SER HB2 H 1 3.601 . . 2 . . . . 50 SER HB1 . 11034 1 607 . 1 1 51 51 PRO CA C 13 62.488 . . 1 . . . . 51 PRO CA . 11034 1 608 . 1 1 51 51 PRO HA H 1 4.298 . . 1 . . . . 51 PRO HA . 11034 1 609 . 1 1 51 51 PRO CB C 13 31.121 . . 1 . . . . 51 PRO CB . 11034 1 610 . 1 1 51 51 PRO HB3 H 1 1.952 . . 2 . . . . 51 PRO HB2 . 11034 1 611 . 1 1 51 51 PRO HB2 H 1 2.215 . . 2 . . . . 51 PRO HB1 . 11034 1 612 . 1 1 51 51 PRO CG C 13 26.012 . . 1 . . . . 51 PRO CG . 11034 1 613 . 1 1 51 51 PRO CD C 13 50.211 . . 1 . . . . 51 PRO CD . 11034 1 614 . 1 1 51 51 PRO HD3 H 1 3.551 . . 2 . . . . 51 PRO HD2 . 11034 1 615 . 1 1 51 51 PRO HD2 H 1 3.100 . . 2 . . . . 51 PRO HD1 . 11034 1 616 . 1 1 51 51 PRO C C 13 178.546 . . 1 . . . . 51 PRO C . 11034 1 617 . 1 1 52 52 ILE N N 15 118.973 . . 1 . . . . 52 ILE N . 11034 1 618 . 1 1 52 52 ILE H H 1 7.963 . . 1 . . . . 52 ILE HN . 11034 1 619 . 1 1 52 52 ILE CA C 13 60.234 . . 1 . . . . 52 ILE CA . 11034 1 620 . 1 1 52 52 ILE HA H 1 4.198 . . 1 . . . . 52 ILE HA . 11034 1 621 . 1 1 52 52 ILE CB C 13 37.863 . . 1 . . . . 52 ILE CB . 11034 1 622 . 1 1 52 52 ILE HB H 1 1.917 . . 1 . . . . 52 ILE HB . 11034 1 623 . 1 1 52 52 ILE CG1 C 13 26.407 . . 1 . . . . 52 ILE CG1 . 11034 1 624 . 1 1 52 52 ILE HG13 H 1 1.475 . . 1 . . . . 52 ILE HG12 . 11034 1 625 . 1 1 52 52 ILE HG12 H 1 1.210 . . 1 . . . . 52 ILE HG11 . 11034 1 626 . 1 1 52 52 ILE CD1 C 13 12.056 . . 1 . . . . 52 ILE CD1 . 11034 1 627 . 1 1 52 52 ILE HD11 H 1 0.900 . . 1 . . . . 52 ILE HD11 . 11034 1 628 . 1 1 52 52 ILE HD12 H 1 0.900 . . 1 . . . . 52 ILE HD11 . 11034 1 629 . 1 1 52 52 ILE HD13 H 1 0.900 . . 1 . . . . 52 ILE HD11 . 11034 1 630 . 1 1 52 52 ILE CG2 C 13 16.688 . . 1 . . . . 52 ILE CG2 . 11034 1 631 . 1 1 52 52 ILE HG21 H 1 0.930 . . 1 . . . . 52 ILE HG21 . 11034 1 632 . 1 1 52 52 ILE HG22 H 1 0.930 . . 1 . . . . 52 ILE HG21 . 11034 1 633 . 1 1 52 52 ILE HG23 H 1 0.930 . . 1 . . . . 52 ILE HG21 . 11034 1 634 . 1 1 52 52 ILE C C 13 177.929 . . 1 . . . . 52 ILE C . 11034 1 635 . 1 1 53 53 SER N N 15 118.194 . . 1 . . . . 53 SER N . 11034 1 636 . 1 1 53 53 SER H H 1 8.203 . . 1 . . . . 53 SER HN . 11034 1 637 . 1 1 53 53 SER CA C 13 57.318 . . 1 . . . . 53 SER CA . 11034 1 638 . 1 1 53 53 SER HA H 1 4.480 . . 1 . . . . 53 SER HA . 11034 1 639 . 1 1 53 53 SER CB C 13 63.124 . . 1 . . . . 53 SER CB . 11034 1 640 . 1 1 53 53 SER HB2 H 1 3.862 . . 2 . . . . 53 SER HB2 . 11034 1 641 . 1 1 53 53 SER C C 13 175.932 . . 1 . . . . 53 SER C . 11034 1 642 . 1 1 54 54 GLU N N 15 122.542 . . 1 . . . . 54 GLU N . 11034 1 643 . 1 1 54 54 GLU H H 1 8.347 . . 1 . . . . 54 GLU HN . 11034 1 644 . 1 1 54 54 GLU CA C 13 55.560 . . 1 . . . . 54 GLU CA . 11034 1 645 . 1 1 54 54 GLU HA H 1 4.387 . . 1 . . . . 54 GLU HA . 11034 1 646 . 1 1 54 54 GLU CB C 13 29.438 . . 1 . . . . 54 GLU CB . 11034 1 647 . 1 1 54 54 GLU HB3 H 1 2.149 . . 2 . . . . 54 GLU HB2 . 11034 1 648 . 1 1 54 54 GLU HB2 H 1 1.931 . . 2 . . . . 54 GLU HB1 . 11034 1 649 . 1 1 54 54 GLU CG C 13 35.270 . . 1 . . . . 54 GLU CG . 11034 1 650 . 1 1 54 54 GLU HG2 H 1 2.307 . . 2 . . . . 54 GLU HG2 . 11034 1 651 . 1 1 54 54 GLU C C 13 176.980 . . 1 . . . . 54 GLU C . 11034 1 652 . 1 1 55 55 LEU N N 15 127.380 . . 1 . . . . 55 LEU N . 11034 1 653 . 1 1 55 55 LEU H H 1 7.789 . . 1 . . . . 55 LEU HN . 11034 1 654 . 1 1 55 55 LEU CA C 13 54.472 . . 1 . . . . 55 LEU CA . 11034 1 655 . 1 1 55 55 LEU HA H 1 4.332 . . 1 . . . . 55 LEU HA . 11034 1 656 . 1 1 55 55 LEU CB C 13 29.388 . . 1 . . . . 55 LEU CB . 11034 1 657 . 1 1 55 55 LEU HB3 H 1 1.475 . . 2 . . . . 55 LEU HB2 . 11034 1 658 . 1 1 55 55 LEU HB2 H 1 1.298 . . 2 . . . . 55 LEU HB1 . 11034 1 659 . 1 1 55 55 LEU HG H 1 1.983 . . 1 . . . . 55 LEU HG . 11034 1 660 . 1 1 55 55 LEU HD11 H 1 0.809 . . 2 . . . . 55 LEU HD11 . 11034 1 661 . 1 1 55 55 LEU HD12 H 1 0.809 . . 2 . . . . 55 LEU HD11 . 11034 1 662 . 1 1 55 55 LEU HD13 H 1 0.809 . . 2 . . . . 55 LEU HD11 . 11034 1 663 . 1 1 55 55 LEU CD2 C 13 9.860 . . 1 . . . . 55 LEU CD2 . 11034 1 664 . 1 1 55 55 LEU HD21 H 1 0.617 . . 2 . . . . 55 LEU HD21 . 11034 1 665 . 1 1 55 55 LEU HD22 H 1 0.617 . . 2 . . . . 55 LEU HD21 . 11034 1 666 . 1 1 55 55 LEU HD23 H 1 0.617 . . 2 . . . . 55 LEU HD21 . 11034 1 667 . 1 1 55 55 LEU C C 13 174.095 . . 1 . . . . 55 LEU C . 11034 1 stop_ save_