data_18939 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18939 _Entry.Title ; Solution Structure of C-terminal AbrB ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-01-04 _Entry.Accession_date 2013-01-04 _Entry.Last_release_date 2013-01-24 _Entry.Original_release_date 2013-01-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _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 Andrew Olson . L. . 18939 2 Ashley Tucker . T. . 18939 3 John Cavanagh . . . 18939 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' . 18939 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID AbrB . 18939 C-terminus . 18939 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18939 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 168 18939 '15N chemical shifts' 43 18939 '1H chemical shifts' 277 18939 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 . . 2013-01-24 2013-01-04 original author . 18939 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M2Z 'BMRB Entry Tracking System' 18939 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18939 _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 'Structure of Full Length AbrB from Bacillus Subtilis' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev Structure _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 Andrew Olson . . . 18939 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18939 _Assembly.ID 1 _Assembly.Name 'C-terminal AbrB' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'C-terminal AbrB, chain 1' 1 $C-term_AbrB A . yes native no no . . . 18939 1 2 'C-terminal AbrB, chain 2' 1 $C-term_AbrB B . yes native no no . . . 18939 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_C-term_AbrB _Entity.Sf_category entity _Entity.Sf_framecode C-term_AbrB _Entity.Entry_ID 18939 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C-terminal AbrB, chain 1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNCMTCQVTGEVSDDNLKLA GGKLVLSKEGAEQIISEIQN QLQNLK ; _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 46 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4996.743 _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 2MJG . "Solution Structure Of C-terminal Abrb" . . . . . 100.00 46 100.00 100.00 2.17e-22 . . . . 18939 1 2 no DBJ BAA05272 . "transition state regulatory protein [Bacillus subtilis]" . . . . . 93.48 96 100.00 100.00 8.98e-20 . . . . 18939 1 3 no DBJ BAI83483 . "transcriptional regulator [Bacillus subtilis subsp. natto BEST195]" . . . . . 93.48 96 100.00 100.00 8.98e-20 . . . . 18939 1 4 no DBJ BAM48968 . "transcriptional regulator [Bacillus subtilis BEST7613]" . . . . . 93.48 94 100.00 100.00 1.04e-19 . . . . 18939 1 5 no DBJ BAM56238 . "transcriptional regulator [Bacillus subtilis BEST7003]" . . . . . 93.48 94 100.00 100.00 1.04e-19 . . . . 18939 1 6 no DBJ GAK78652 . "transcriptional regulator for transition state genes [Bacillus subtilis Miyagi-4]" . . . . . 93.48 94 100.00 100.00 1.04e-19 . . . . 18939 1 7 no EMBL CAA31307 . "unnamed protein product [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 93.48 96 100.00 100.00 8.98e-20 . . . . 18939 1 8 no EMBL CAA43955 . "abrB [Bacillus subtilis]" . . . . . 93.48 94 100.00 100.00 1.04e-19 . . . . 18939 1 9 no EMBL CAB11813 . "transcriptional regulator for transition state genes [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 93.48 96 100.00 100.00 8.98e-20 . . . . 18939 1 10 no EMBL CBI41163 . "transcriptional regulator for transition state genes [Bacillus amyloliquefaciens DSM 7]" . . . . . 93.48 94 97.67 97.67 1.16e-18 . . . . 18939 1 11 no EMBL CCF03572 . "Transition state regulatory protein abrB [Bacillus methylotrophicus CAU B946]" . . . . . 93.48 94 97.67 97.67 1.16e-18 . . . . 18939 1 12 no GB AAA22195 . "abrB protein [Bacillus subtilis]" . . . . . 93.48 94 100.00 100.00 1.04e-19 . . . . 18939 1 13 no GB ABS72486 . "AbrB [Bacillus amyloliquefaciens subsp. plantarum str. FZB42]" . . . . . 93.48 94 97.67 97.67 1.16e-18 . . . . 18939 1 14 no GB ACB37468 . "transcriptional regulator [Bacillus amyloliquefaciens]" . . . . . 93.48 94 97.67 100.00 3.01e-19 . . . . 18939 1 15 no GB ADM36096 . "transition state transcriptional regulatory protein AbrB [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 93.48 94 100.00 100.00 1.04e-19 . . . . 18939 1 16 no GB ADV94967 . "transition state transcriptional regulatory protein AbrB [Bacillus subtilis BSn5]" . . . . . 93.48 94 100.00 100.00 1.04e-19 . . . . 18939 1 17 no PRF 1715209A . "transcription regulator AbrB" . . . . . 93.48 94 100.00 100.00 1.04e-19 . . . . 18939 1 18 no REF NP_387918 . "transition state regulatory protein AbrB [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 93.48 96 100.00 100.00 8.98e-20 . . . . 18939 1 19 no REF WP_003218316 . "MULTISPECIES: transition state regulator Abh [Bacillales]" . . . . . 93.48 94 100.00 100.00 1.04e-19 . . . . 18939 1 20 no REF WP_003226760 . "transition state regulatory protein AbrB [Bacillus subtilis]" . . . . . 93.48 96 100.00 100.00 8.98e-20 . . . . 18939 1 21 no REF WP_004264711 . "MULTISPECIES: transition state regulator Abh [Bacillus]" . . . . . 93.48 94 97.67 97.67 1.16e-18 . . . . 18939 1 22 no REF WP_014469596 . "MULTISPECIES: transition state regulator Abh [Bacillus subtilis group]" . . . . . 93.48 94 97.67 97.67 1.08e-18 . . . . 18939 1 23 no SP P08874 . "RecName: Full=Transition state regulatory protein AbrB" . . . . . 93.48 96 100.00 100.00 8.98e-20 . . . . 18939 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 . 18939 1 2 . ASN . 18939 1 3 . CYS . 18939 1 4 . MET . 18939 1 5 . THR . 18939 1 6 . CYS . 18939 1 7 . GLN . 18939 1 8 . VAL . 18939 1 9 . THR . 18939 1 10 . GLY . 18939 1 11 . GLU . 18939 1 12 . VAL . 18939 1 13 . SER . 18939 1 14 . ASP . 18939 1 15 . ASP . 18939 1 16 . ASN . 18939 1 17 . LEU . 18939 1 18 . LYS . 18939 1 19 . LEU . 18939 1 20 . ALA . 18939 1 21 . GLY . 18939 1 22 . GLY . 18939 1 23 . LYS . 18939 1 24 . LEU . 18939 1 25 . VAL . 18939 1 26 . LEU . 18939 1 27 . SER . 18939 1 28 . LYS . 18939 1 29 . GLU . 18939 1 30 . GLY . 18939 1 31 . ALA . 18939 1 32 . GLU . 18939 1 33 . GLN . 18939 1 34 . ILE . 18939 1 35 . ILE . 18939 1 36 . SER . 18939 1 37 . GLU . 18939 1 38 . ILE . 18939 1 39 . GLN . 18939 1 40 . ASN . 18939 1 41 . GLN . 18939 1 42 . LEU . 18939 1 43 . GLN . 18939 1 44 . ASN . 18939 1 45 . LEU . 18939 1 46 . LYS . 18939 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 18939 1 . ASN 2 2 18939 1 . CYS 3 3 18939 1 . MET 4 4 18939 1 . THR 5 5 18939 1 . CYS 6 6 18939 1 . GLN 7 7 18939 1 . VAL 8 8 18939 1 . THR 9 9 18939 1 . GLY 10 10 18939 1 . GLU 11 11 18939 1 . VAL 12 12 18939 1 . SER 13 13 18939 1 . ASP 14 14 18939 1 . ASP 15 15 18939 1 . ASN 16 16 18939 1 . LEU 17 17 18939 1 . LYS 18 18 18939 1 . LEU 19 19 18939 1 . ALA 20 20 18939 1 . GLY 21 21 18939 1 . GLY 22 22 18939 1 . LYS 23 23 18939 1 . LEU 24 24 18939 1 . VAL 25 25 18939 1 . LEU 26 26 18939 1 . SER 27 27 18939 1 . LYS 28 28 18939 1 . GLU 29 29 18939 1 . GLY 30 30 18939 1 . ALA 31 31 18939 1 . GLU 32 32 18939 1 . GLN 33 33 18939 1 . ILE 34 34 18939 1 . ILE 35 35 18939 1 . SER 36 36 18939 1 . GLU 37 37 18939 1 . ILE 38 38 18939 1 . GLN 39 39 18939 1 . ASN 40 40 18939 1 . GLN 41 41 18939 1 . LEU 42 42 18939 1 . GLN 43 43 18939 1 . ASN 44 44 18939 1 . LEU 45 45 18939 1 . LYS 46 46 18939 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 18939 _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 $C-term_AbrB . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 18939 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 18939 _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 $C-term_AbrB . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-28a . . . . . . 18939 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_water _Sample.Sf_category sample _Sample.Sf_framecode water _Sample.Entry_ID 18939 _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 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18939 1 2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18939 1 3 'potassium chloride' 'natural abundance' . . . . . . 15 . . mM . . . . 18939 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18939 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18939 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18939 1 7 C-term_AbrB 'natural abundance' . . 1 $C-term_AbrB . . 1 . . mM . . . . 18939 1 stop_ save_ save_d20 _Sample.Sf_category sample _Sample.Sf_framecode d20 _Sample.Entry_ID 18939 _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 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18939 2 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18939 2 3 'potassium chloride' 'natural abundance' . . . . . . 15 . . mM . . . . 18939 2 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18939 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18939 2 6 C-term_AbrB 'natural abundance' . . 1 $C-term_AbrB . . 1 . . mM . . . . 18939 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 18939 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.015 . M 18939 1 pH 7.0 . pH 18939 1 pressure 1 . atm 18939 1 temperature 273 . K 18939 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18939 _Software.ID 1 _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' . . 18939 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18939 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18939 _Software.ID 2 _Software.Name NMRView _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' . . 18939 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18939 2 'data analysis' 18939 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18939 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18939 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18939 3 'data analysis' 18939 3 'peak picking' 18939 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18939 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18939 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18939 4 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 18939 _Software.ID 5 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 18939 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18939 5 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 18939 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18939 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _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 18939 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 18939 1 2 spectrometer_2 Varian INOVA . 600 . . . 18939 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 18939 _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 $water isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18939 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $water isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18939 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $water isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18939 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $water isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18939 1 5 '3D HNCO' no . . . . . . . . . . 1 $water isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18939 1 6 '3D HNCACB' no . . . . . . . . . . 1 $water isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18939 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $water isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18939 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $d20 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18939 1 9 '3D HNHA' no . . . . . . . . . . 1 $water isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18939 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $water isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18939 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $d20 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18939 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $d20 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18939 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 18939 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18939 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18939 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18939 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 18939 _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' . . . 18939 1 3 '3D CBCA(CO)NH' . . . 18939 1 4 '3D C(CO)NH' . . . 18939 1 5 '3D HNCO' . . . 18939 1 6 '3D HNCACB' . . . 18939 1 7 '3D H(CCO)NH' . . . 18939 1 8 '3D HCCH-TOCSY' . . . 18939 1 12 '3D 1H-13C NOESY aromatic' . . . 18939 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 3 3 CYS HA H 1 4.592 0.002 . 1 . . . A 3 CYS HA . 18939 1 2 . 1 1 3 3 CYS HB2 H 1 3.060 0.001 . 2 . . . A 3 CYS HB2 . 18939 1 3 . 1 1 3 3 CYS HB3 H 1 3.060 0.001 . 2 . . . A 3 CYS HB3 . 18939 1 4 . 1 1 3 3 CYS C C 13 176.529 0.005 . 1 . . . A 3 CYS C . 18939 1 5 . 1 1 3 3 CYS CA C 13 56.298 0.005 . 1 . . . A 3 CYS CA . 18939 1 6 . 1 1 3 3 CYS CB C 13 30.126 0.052 . 1 . . . A 3 CYS CB . 18939 1 7 . 1 1 4 4 MET H H 1 8.313 0.005 . 1 . . . A 4 MET H . 18939 1 8 . 1 1 4 4 MET HA H 1 4.649 0.009 . 1 . . . A 4 MET HA . 18939 1 9 . 1 1 4 4 MET HB2 H 1 1.893 0.001 . 2 . . . A 4 MET HB2 . 18939 1 10 . 1 1 4 4 MET HB3 H 1 2.172 0.003 . 2 . . . A 4 MET HB3 . 18939 1 11 . 1 1 4 4 MET HG2 H 1 2.528 0.005 . 2 . . . A 4 MET HG2 . 18939 1 12 . 1 1 4 4 MET HG3 H 1 2.528 0.005 . 2 . . . A 4 MET HG3 . 18939 1 13 . 1 1 4 4 MET C C 13 176.724 0.005 . 1 . . . A 4 MET C . 18939 1 14 . 1 1 4 4 MET CA C 13 53.718 0.005 . 1 . . . A 4 MET CA . 18939 1 15 . 1 1 4 4 MET CB C 13 30.967 0.005 . 1 . . . A 4 MET CB . 18939 1 16 . 1 1 4 4 MET CG C 13 31.248 0.005 . 1 . . . A 4 MET CG . 18939 1 17 . 1 1 4 4 MET N N 15 119.801 0.005 . 1 . . . A 4 MET N . 18939 1 18 . 1 1 5 5 THR H H 1 7.953 0.013 . 1 . . . A 5 THR H . 18939 1 19 . 1 1 5 5 THR HA H 1 4.502 0.006 . 1 . . . A 5 THR HA . 18939 1 20 . 1 1 5 5 THR HB H 1 3.790 0.004 . 1 . . . A 5 THR HB . 18939 1 21 . 1 1 5 5 THR HG21 H 1 1.038 0.001 . 1 . . . A 5 THR HG21 . 18939 1 22 . 1 1 5 5 THR HG22 H 1 1.038 0.001 . 1 . . . A 5 THR HG22 . 18939 1 23 . 1 1 5 5 THR HG23 H 1 1.038 0.001 . 1 . . . A 5 THR HG23 . 18939 1 24 . 1 1 5 5 THR C C 13 179.123 0.005 . 1 . . . A 5 THR C . 18939 1 25 . 1 1 5 5 THR CA C 13 60.577 0.017 . 1 . . . A 5 THR CA . 18939 1 26 . 1 1 5 5 THR CB C 13 69.297 0.061 . 1 . . . A 5 THR CB . 18939 1 27 . 1 1 5 5 THR CG2 C 13 20.559 0.005 . 1 . . . A 5 THR CG2 . 18939 1 28 . 1 1 5 5 THR N N 15 119.094 0.064 . 1 . . . A 5 THR N . 18939 1 29 . 1 1 6 6 CYS H H 1 8.451 0.004 . 1 . . . A 6 CYS H . 18939 1 30 . 1 1 6 6 CYS HA H 1 4.001 0.009 . 1 . . . A 6 CYS HA . 18939 1 31 . 1 1 6 6 CYS HB2 H 1 2.873 0.005 . 2 . . . A 6 CYS HB2 . 18939 1 32 . 1 1 6 6 CYS HB3 H 1 3.046 0.001 . 2 . . . A 6 CYS HB3 . 18939 1 33 . 1 1 6 6 CYS C C 13 173.932 0.005 . 1 . . . A 6 CYS C . 18939 1 34 . 1 1 6 6 CYS CA C 13 60.086 0.037 . 1 . . . A 6 CYS CA . 18939 1 35 . 1 1 6 6 CYS CB C 13 28.867 0.015 . 1 . . . A 6 CYS CB . 18939 1 36 . 1 1 6 6 CYS N N 15 129.332 0.026 . 1 . . . A 6 CYS N . 18939 1 37 . 1 1 7 7 GLN H H 1 8.860 0.002 . 1 . . . A 7 GLN H . 18939 1 38 . 1 1 7 7 GLN HA H 1 4.007 0.003 . 1 . . . A 7 GLN HA . 18939 1 39 . 1 1 7 7 GLN HB2 H 1 1.776 0.016 . 2 . . . A 7 GLN HB2 . 18939 1 40 . 1 1 7 7 GLN HB3 H 1 1.776 0.016 . 2 . . . A 7 GLN HB3 . 18939 1 41 . 1 1 7 7 GLN HG2 H 1 2.617 0.005 . 2 . . . A 7 GLN HG2 . 18939 1 42 . 1 1 7 7 GLN HG3 H 1 2.617 0.005 . 2 . . . A 7 GLN HG3 . 18939 1 43 . 1 1 7 7 GLN C C 13 176.642 0.005 . 1 . . . A 7 GLN C . 18939 1 44 . 1 1 7 7 GLN CA C 13 58.281 0.005 . 1 . . . A 7 GLN CA . 18939 1 45 . 1 1 7 7 GLN CB C 13 28.777 0.546 . 1 . . . A 7 GLN CB . 18939 1 46 . 1 1 7 7 GLN CG C 13 34.122 0.005 . 1 . . . A 7 GLN CG . 18939 1 47 . 1 1 7 7 GLN N N 15 132.081 0.059 . 1 . . . A 7 GLN N . 18939 1 48 . 1 1 8 8 VAL H H 1 9.390 0.005 . 1 . . . A 8 VAL H . 18939 1 49 . 1 1 8 8 VAL HA H 1 4.100 0.022 . 1 . . . A 8 VAL HA . 18939 1 50 . 1 1 8 8 VAL HB H 1 1.864 0.005 . 1 . . . A 8 VAL HB . 18939 1 51 . 1 1 8 8 VAL HG11 H 1 0.767 0.005 . 2 . . . A 8 VAL HG11 . 18939 1 52 . 1 1 8 8 VAL HG12 H 1 0.767 0.005 . 2 . . . A 8 VAL HG12 . 18939 1 53 . 1 1 8 8 VAL HG13 H 1 0.767 0.005 . 2 . . . A 8 VAL HG13 . 18939 1 54 . 1 1 8 8 VAL HG21 H 1 0.897 0.005 . 2 . . . A 8 VAL HG21 . 18939 1 55 . 1 1 8 8 VAL HG22 H 1 0.897 0.005 . 2 . . . A 8 VAL HG22 . 18939 1 56 . 1 1 8 8 VAL HG23 H 1 0.897 0.005 . 2 . . . A 8 VAL HG23 . 18939 1 57 . 1 1 8 8 VAL C C 13 175.067 0.005 . 1 . . . A 8 VAL C . 18939 1 58 . 1 1 8 8 VAL CA C 13 63.568 0.005 . 1 . . . A 8 VAL CA . 18939 1 59 . 1 1 8 8 VAL CB C 13 33.092 0.005 . 1 . . . A 8 VAL CB . 18939 1 60 . 1 1 8 8 VAL CG1 C 13 21.722 0.005 . 1 . . . A 8 VAL CG1 . 18939 1 61 . 1 1 8 8 VAL CG2 C 13 20.261 0.005 . 1 . . . A 8 VAL CG2 . 18939 1 62 . 1 1 8 8 VAL N N 15 117.533 0.067 . 1 . . . A 8 VAL N . 18939 1 63 . 1 1 9 9 THR H H 1 10.497 0.004 . 1 . . . A 9 THR H . 18939 1 64 . 1 1 9 9 THR HA H 1 4.510 0.005 . 1 . . . A 9 THR HA . 18939 1 65 . 1 1 9 9 THR HB H 1 4.446 0.006 . 1 . . . A 9 THR HB . 18939 1 66 . 1 1 9 9 THR HG21 H 1 1.245 0.005 . 1 . . . A 9 THR HG21 . 18939 1 67 . 1 1 9 9 THR HG22 H 1 1.245 0.005 . 1 . . . A 9 THR HG22 . 18939 1 68 . 1 1 9 9 THR HG23 H 1 1.245 0.005 . 1 . . . A 9 THR HG23 . 18939 1 69 . 1 1 9 9 THR C C 13 175.205 0.005 . 1 . . . A 9 THR C . 18939 1 70 . 1 1 9 9 THR CA C 13 61.602 0.005 . 1 . . . A 9 THR CA . 18939 1 71 . 1 1 9 9 THR CB C 13 72.047 0.040 . 1 . . . A 9 THR CB . 18939 1 72 . 1 1 9 9 THR N N 15 116.827 0.048 . 1 . . . A 9 THR N . 18939 1 73 . 1 1 10 10 GLY H H 1 7.867 0.007 . 1 . . . A 10 GLY H . 18939 1 74 . 1 1 10 10 GLY HA2 H 1 3.678 0.004 . 2 . . . A 10 GLY HA2 . 18939 1 75 . 1 1 10 10 GLY HA3 H 1 4.167 0.004 . 2 . . . A 10 GLY HA3 . 18939 1 76 . 1 1 10 10 GLY C C 13 178.935 0.005 . 1 . . . A 10 GLY C . 18939 1 77 . 1 1 10 10 GLY CA C 13 44.813 0.005 . 1 . . . A 10 GLY CA . 18939 1 78 . 1 1 10 10 GLY N N 15 110.246 0.083 . 1 . . . A 10 GLY N . 18939 1 79 . 1 1 11 11 GLU H H 1 7.637 0.005 . 1 . . . A 11 GLU H . 18939 1 80 . 1 1 11 11 GLU HA H 1 4.164 0.029 . 1 . . . A 11 GLU HA . 18939 1 81 . 1 1 11 11 GLU HB2 H 1 1.954 0.005 . 2 . . . A 11 GLU HB2 . 18939 1 82 . 1 1 11 11 GLU HB3 H 1 1.954 0.005 . 2 . . . A 11 GLU HB3 . 18939 1 83 . 1 1 11 11 GLU HG2 H 1 2.235 0.001 . 2 . . . A 11 GLU HG2 . 18939 1 84 . 1 1 11 11 GLU HG3 H 1 2.235 0.001 . 2 . . . A 11 GLU HG3 . 18939 1 85 . 1 1 11 11 GLU C C 13 175.565 0.005 . 1 . . . A 11 GLU C . 18939 1 86 . 1 1 11 11 GLU CA C 13 56.511 0.005 . 1 . . . A 11 GLU CA . 18939 1 87 . 1 1 11 11 GLU CB C 13 29.980 0.005 . 1 . . . A 11 GLU CB . 18939 1 88 . 1 1 11 11 GLU CG C 13 35.125 0.005 . 1 . . . A 11 GLU CG . 18939 1 89 . 1 1 11 11 GLU N N 15 120.444 0.042 . 1 . . . A 11 GLU N . 18939 1 90 . 1 1 12 12 VAL H H 1 8.970 0.007 . 1 . . . A 12 VAL H . 18939 1 91 . 1 1 12 12 VAL HA H 1 4.329 0.016 . 1 . . . A 12 VAL HA . 18939 1 92 . 1 1 12 12 VAL HB H 1 1.948 0.005 . 1 . . . A 12 VAL HB . 18939 1 93 . 1 1 12 12 VAL HG11 H 1 0.724 0.005 . 2 . . . A 12 VAL HG11 . 18939 1 94 . 1 1 12 12 VAL HG12 H 1 0.724 0.005 . 2 . . . A 12 VAL HG12 . 18939 1 95 . 1 1 12 12 VAL HG13 H 1 0.724 0.005 . 2 . . . A 12 VAL HG13 . 18939 1 96 . 1 1 12 12 VAL HG21 H 1 0.943 0.005 . 2 . . . A 12 VAL HG21 . 18939 1 97 . 1 1 12 12 VAL HG22 H 1 0.943 0.005 . 2 . . . A 12 VAL HG22 . 18939 1 98 . 1 1 12 12 VAL HG23 H 1 0.943 0.005 . 2 . . . A 12 VAL HG23 . 18939 1 99 . 1 1 12 12 VAL C C 13 176.375 0.005 . 1 . . . A 12 VAL C . 18939 1 100 . 1 1 12 12 VAL CA C 13 61.331 0.005 . 1 . . . A 12 VAL CA . 18939 1 101 . 1 1 12 12 VAL CB C 13 31.598 0.005 . 1 . . . A 12 VAL CB . 18939 1 102 . 1 1 12 12 VAL CG1 C 13 20.661 0.005 . 1 . . . A 12 VAL CG1 . 18939 1 103 . 1 1 12 12 VAL CG2 C 13 20.486 0.005 . 1 . . . A 12 VAL CG2 . 18939 1 104 . 1 1 12 12 VAL N N 15 129.456 0.069 . 1 . . . A 12 VAL N . 18939 1 105 . 1 1 13 13 SER H H 1 7.566 0.007 . 1 . . . A 13 SER H . 18939 1 106 . 1 1 13 13 SER HA H 1 4.398 0.247 . 1 . . . A 13 SER HA . 18939 1 107 . 1 1 13 13 SER HB2 H 1 3.296 0.002 . 2 . . . A 13 SER HB2 . 18939 1 108 . 1 1 13 13 SER HB3 H 1 3.958 0.005 . 2 . . . A 13 SER HB3 . 18939 1 109 . 1 1 13 13 SER C C 13 177.582 0.005 . 1 . . . A 13 SER C . 18939 1 110 . 1 1 13 13 SER CA C 13 56.666 0.005 . 1 . . . A 13 SER CA . 18939 1 111 . 1 1 13 13 SER CB C 13 63.589 0.002 . 1 . . . A 13 SER CB . 18939 1 112 . 1 1 13 13 SER N N 15 119.436 0.044 . 1 . . . A 13 SER N . 18939 1 113 . 1 1 14 14 ASP H H 1 9.173 0.016 . 1 . . . A 14 ASP H . 18939 1 114 . 1 1 14 14 ASP HA H 1 4.594 0.005 . 1 . . . A 14 ASP HA . 18939 1 115 . 1 1 14 14 ASP HB2 H 1 2.595 0.004 . 2 . . . A 14 ASP HB2 . 18939 1 116 . 1 1 14 14 ASP HB3 H 1 2.678 0.005 . 2 . . . A 14 ASP HB3 . 18939 1 117 . 1 1 14 14 ASP C C 13 176.264 0.005 . 1 . . . A 14 ASP C . 18939 1 118 . 1 1 14 14 ASP CA C 13 55.565 0.005 . 1 . . . A 14 ASP CA . 18939 1 119 . 1 1 14 14 ASP CB C 13 39.739 0.005 . 1 . . . A 14 ASP CB . 18939 1 120 . 1 1 14 14 ASP N N 15 127.829 0.031 . 1 . . . A 14 ASP N . 18939 1 121 . 1 1 15 15 ASP H H 1 8.354 0.005 . 1 . . . A 15 ASP H . 18939 1 122 . 1 1 15 15 ASP HA H 1 4.693 0.001 . 1 . . . A 15 ASP HA . 18939 1 123 . 1 1 15 15 ASP HB2 H 1 2.480 0.007 . 2 . . . A 15 ASP HB2 . 18939 1 124 . 1 1 15 15 ASP HB3 H 1 2.757 0.004 . 2 . . . A 15 ASP HB3 . 18939 1 125 . 1 1 15 15 ASP C C 13 175.633 0.005 . 1 . . . A 15 ASP C . 18939 1 126 . 1 1 15 15 ASP CA C 13 52.905 0.005 . 1 . . . A 15 ASP CA . 18939 1 127 . 1 1 15 15 ASP CB C 13 40.333 0.005 . 1 . . . A 15 ASP CB . 18939 1 128 . 1 1 15 15 ASP N N 15 116.986 0.122 . 1 . . . A 15 ASP N . 18939 1 129 . 1 1 16 16 ASN H H 1 7.091 0.005 . 1 . . . A 16 ASN H . 18939 1 130 . 1 1 16 16 ASN HA H 1 4.483 0.007 . 1 . . . A 16 ASN HA . 18939 1 131 . 1 1 16 16 ASN HB2 H 1 2.309 0.005 . 2 . . . A 16 ASN HB2 . 18939 1 132 . 1 1 16 16 ASN HB3 H 1 2.580 0.005 . 2 . . . A 16 ASN HB3 . 18939 1 133 . 1 1 16 16 ASN C C 13 178.630 0.005 . 1 . . . A 16 ASN C . 18939 1 134 . 1 1 16 16 ASN CA C 13 52.769 0.005 . 1 . . . A 16 ASN CA . 18939 1 135 . 1 1 16 16 ASN CB C 13 37.441 0.091 . 1 . . . A 16 ASN CB . 18939 1 136 . 1 1 16 16 ASN N N 15 117.769 0.035 . 1 . . . A 16 ASN N . 18939 1 137 . 1 1 17 17 LEU H H 1 9.062 0.005 . 1 . . . A 17 LEU H . 18939 1 138 . 1 1 17 17 LEU HA H 1 4.236 0.005 . 1 . . . A 17 LEU HA . 18939 1 139 . 1 1 17 17 LEU HB2 H 1 1.219 0.005 . 2 . . . A 17 LEU HB2 . 18939 1 140 . 1 1 17 17 LEU HB3 H 1 1.219 0.005 . 2 . . . A 17 LEU HB3 . 18939 1 141 . 1 1 17 17 LEU HG H 1 1.774 0.005 . 1 . . . A 17 LEU HG . 18939 1 142 . 1 1 17 17 LEU HD11 H 1 0.800 0.005 . 2 . . . A 17 LEU HD11 . 18939 1 143 . 1 1 17 17 LEU HD12 H 1 0.800 0.005 . 2 . . . A 17 LEU HD12 . 18939 1 144 . 1 1 17 17 LEU HD13 H 1 0.800 0.005 . 2 . . . A 17 LEU HD13 . 18939 1 145 . 1 1 17 17 LEU HD21 H 1 0.808 0.005 . 2 . . . A 17 LEU HD21 . 18939 1 146 . 1 1 17 17 LEU HD22 H 1 0.808 0.005 . 2 . . . A 17 LEU HD22 . 18939 1 147 . 1 1 17 17 LEU HD23 H 1 0.808 0.005 . 2 . . . A 17 LEU HD23 . 18939 1 148 . 1 1 17 17 LEU C C 13 176.545 0.005 . 1 . . . A 17 LEU C . 18939 1 149 . 1 1 17 17 LEU CA C 13 54.727 0.005 . 1 . . . A 17 LEU CA . 18939 1 150 . 1 1 17 17 LEU CB C 13 41.280 0.005 . 1 . . . A 17 LEU CB . 18939 1 151 . 1 1 17 17 LEU CG C 13 27.424 0.005 . 1 . . . A 17 LEU CG . 18939 1 152 . 1 1 17 17 LEU CD1 C 13 23.277 0.005 . 1 . . . A 17 LEU CD1 . 18939 1 153 . 1 1 17 17 LEU CD2 C 13 24.587 0.005 . 1 . . . A 17 LEU CD2 . 18939 1 154 . 1 1 17 17 LEU N N 15 120.460 0.042 . 1 . . . A 17 LEU N . 18939 1 155 . 1 1 18 18 LYS H H 1 8.597 0.007 . 1 . . . A 18 LYS H . 18939 1 156 . 1 1 18 18 LYS HA H 1 4.564 0.009 . 1 . . . A 18 LYS HA . 18939 1 157 . 1 1 18 18 LYS HB2 H 1 1.589 0.005 . 2 . . . A 18 LYS HB2 . 18939 1 158 . 1 1 18 18 LYS HB3 H 1 1.730 0.005 . 2 . . . A 18 LYS HB3 . 18939 1 159 . 1 1 18 18 LYS HG2 H 1 1.369 0.005 . 2 . . . A 18 LYS HG2 . 18939 1 160 . 1 1 18 18 LYS HG3 H 1 1.369 0.005 . 2 . . . A 18 LYS HG3 . 18939 1 161 . 1 1 18 18 LYS HD2 H 1 1.630 0.005 . 2 . . . A 18 LYS HD2 . 18939 1 162 . 1 1 18 18 LYS HD3 H 1 1.630 0.005 . 2 . . . A 18 LYS HD3 . 18939 1 163 . 1 1 18 18 LYS HE2 H 1 2.970 0.005 . 2 . . . A 18 LYS HE2 . 18939 1 164 . 1 1 18 18 LYS HE3 H 1 2.970 0.005 . 2 . . . A 18 LYS HE3 . 18939 1 165 . 1 1 18 18 LYS C C 13 176.578 0.005 . 1 . . . A 18 LYS C . 18939 1 166 . 1 1 18 18 LYS CA C 13 55.177 0.005 . 1 . . . A 18 LYS CA . 18939 1 167 . 1 1 18 18 LYS CB C 13 31.870 0.016 . 1 . . . A 18 LYS CB . 18939 1 168 . 1 1 18 18 LYS CG C 13 24.220 0.005 . 1 . . . A 18 LYS CG . 18939 1 169 . 1 1 18 18 LYS CD C 13 28.741 0.005 . 1 . . . A 18 LYS CD . 18939 1 170 . 1 1 18 18 LYS CE C 13 41.320 0.005 . 1 . . . A 18 LYS CE . 18939 1 171 . 1 1 18 18 LYS N N 15 122.486 0.012 . 1 . . . A 18 LYS N . 18939 1 172 . 1 1 19 19 LEU H H 1 9.012 0.003 . 1 . . . A 19 LEU H . 18939 1 173 . 1 1 19 19 LEU HA H 1 4.783 0.012 . 1 . . . A 19 LEU HA . 18939 1 174 . 1 1 19 19 LEU HB2 H 1 1.396 0.005 . 2 . . . A 19 LEU HB2 . 18939 1 175 . 1 1 19 19 LEU HB3 H 1 1.694 0.005 . 2 . . . A 19 LEU HB3 . 18939 1 176 . 1 1 19 19 LEU HG H 1 1.459 0.005 . 1 . . . A 19 LEU HG . 18939 1 177 . 1 1 19 19 LEU HD11 H 1 0.797 0.005 . 2 . . . A 19 LEU HD11 . 18939 1 178 . 1 1 19 19 LEU HD12 H 1 0.797 0.005 . 2 . . . A 19 LEU HD12 . 18939 1 179 . 1 1 19 19 LEU HD13 H 1 0.797 0.005 . 2 . . . A 19 LEU HD13 . 18939 1 180 . 1 1 19 19 LEU HD21 H 1 0.793 0.005 . 2 . . . A 19 LEU HD21 . 18939 1 181 . 1 1 19 19 LEU HD22 H 1 0.793 0.005 . 2 . . . A 19 LEU HD22 . 18939 1 182 . 1 1 19 19 LEU HD23 H 1 0.793 0.005 . 2 . . . A 19 LEU HD23 . 18939 1 183 . 1 1 19 19 LEU C C 13 174.796 0.005 . 1 . . . A 19 LEU C . 18939 1 184 . 1 1 19 19 LEU CA C 13 52.297 0.005 . 1 . . . A 19 LEU CA . 18939 1 185 . 1 1 19 19 LEU CB C 13 43.593 0.052 . 1 . . . A 19 LEU CB . 18939 1 186 . 1 1 19 19 LEU CG C 13 26.583 0.005 . 1 . . . A 19 LEU CG . 18939 1 187 . 1 1 19 19 LEU CD1 C 13 23.310 0.005 . 1 . . . A 19 LEU CD1 . 18939 1 188 . 1 1 19 19 LEU CD2 C 13 23.042 0.005 . 1 . . . A 19 LEU CD2 . 18939 1 189 . 1 1 19 19 LEU N N 15 126.069 0.031 . 1 . . . A 19 LEU N . 18939 1 190 . 1 1 20 20 ALA H H 1 11.163 0.005 . 1 . . . A 20 ALA H . 18939 1 191 . 1 1 20 20 ALA HA H 1 4.082 0.002 . 1 . . . A 20 ALA HA . 18939 1 192 . 1 1 20 20 ALA HB1 H 1 1.296 0.003 . 1 . . . A 20 ALA HB1 . 18939 1 193 . 1 1 20 20 ALA HB2 H 1 1.296 0.003 . 1 . . . A 20 ALA HB2 . 18939 1 194 . 1 1 20 20 ALA HB3 H 1 1.296 0.003 . 1 . . . A 20 ALA HB3 . 18939 1 195 . 1 1 20 20 ALA C C 13 172.764 0.005 . 1 . . . A 20 ALA C . 18939 1 196 . 1 1 20 20 ALA CA C 13 51.111 0.005 . 1 . . . A 20 ALA CA . 18939 1 197 . 1 1 20 20 ALA CB C 13 17.093 0.005 . 1 . . . A 20 ALA CB . 18939 1 198 . 1 1 20 20 ALA N N 15 127.922 0.005 . 1 . . . A 20 ALA N . 18939 1 199 . 1 1 21 21 GLY H H 1 9.187 0.001 . 1 . . . A 21 GLY H . 18939 1 200 . 1 1 21 21 GLY HA2 H 1 3.731 0.005 . 2 . . . A 21 GLY HA2 . 18939 1 201 . 1 1 21 21 GLY HA3 H 1 3.835 0.001 . 2 . . . A 21 GLY HA3 . 18939 1 202 . 1 1 21 21 GLY C C 13 176.718 0.005 . 1 . . . A 21 GLY C . 18939 1 203 . 1 1 21 21 GLY CA C 13 44.224 1.056 . 1 . . . A 21 GLY CA . 18939 1 204 . 1 1 21 21 GLY N N 15 106.602 0.014 . 1 . . . A 21 GLY N . 18939 1 205 . 1 1 22 22 GLY H H 1 7.794 0.005 . 1 . . . A 22 GLY H . 18939 1 206 . 1 1 22 22 GLY HA2 H 1 3.159 0.005 . 2 . . . A 22 GLY HA2 . 18939 1 207 . 1 1 22 22 GLY HA3 H 1 4.497 0.005 . 2 . . . A 22 GLY HA3 . 18939 1 208 . 1 1 22 22 GLY C C 13 178.036 0.005 . 1 . . . A 22 GLY C . 18939 1 209 . 1 1 22 22 GLY CA C 13 43.794 0.064 . 1 . . . A 22 GLY CA . 18939 1 210 . 1 1 22 22 GLY N N 15 105.316 0.111 . 1 . . . A 22 GLY N . 18939 1 211 . 1 1 23 23 LYS H H 1 7.463 0.007 . 1 . . . A 23 LYS H . 18939 1 212 . 1 1 23 23 LYS HA H 1 4.191 0.017 . 1 . . . A 23 LYS HA . 18939 1 213 . 1 1 23 23 LYS HB2 H 1 1.807 0.005 . 2 . . . A 23 LYS HB2 . 18939 1 214 . 1 1 23 23 LYS HB3 H 1 1.807 0.005 . 2 . . . A 23 LYS HB3 . 18939 1 215 . 1 1 23 23 LYS HG2 H 1 1.563 0.005 . 2 . . . A 23 LYS HG2 . 18939 1 216 . 1 1 23 23 LYS HG3 H 1 1.563 0.005 . 2 . . . A 23 LYS HG3 . 18939 1 217 . 1 1 23 23 LYS HE2 H 1 3.100 0.001 . 2 . . . A 23 LYS HE2 . 18939 1 218 . 1 1 23 23 LYS HE3 H 1 3.100 0.001 . 2 . . . A 23 LYS HE3 . 18939 1 219 . 1 1 23 23 LYS C C 13 176.775 0.005 . 1 . . . A 23 LYS C . 18939 1 220 . 1 1 23 23 LYS CA C 13 57.439 0.005 . 1 . . . A 23 LYS CA . 18939 1 221 . 1 1 23 23 LYS CB C 13 32.834 0.005 . 1 . . . A 23 LYS CB . 18939 1 222 . 1 1 23 23 LYS CG C 13 25.263 0.005 . 1 . . . A 23 LYS CG . 18939 1 223 . 1 1 23 23 LYS CE C 13 41.280 0.005 . 1 . . . A 23 LYS CE . 18939 1 224 . 1 1 23 23 LYS N N 15 118.817 0.033 . 1 . . . A 23 LYS N . 18939 1 225 . 1 1 24 24 LEU H H 1 7.638 0.005 . 1 . . . A 24 LEU H . 18939 1 226 . 1 1 24 24 LEU HA H 1 4.697 0.011 . 1 . . . A 24 LEU HA . 18939 1 227 . 1 1 24 24 LEU HB2 H 1 0.997 0.005 . 2 . . . A 24 LEU HB2 . 18939 1 228 . 1 1 24 24 LEU HB3 H 1 1.422 0.005 . 2 . . . A 24 LEU HB3 . 18939 1 229 . 1 1 24 24 LEU HG H 1 1.386 0.005 . 1 . . . A 24 LEU HG . 18939 1 230 . 1 1 24 24 LEU HD21 H 1 0.850 0.005 . 2 . . . A 24 LEU HD21 . 18939 1 231 . 1 1 24 24 LEU HD22 H 1 0.850 0.005 . 2 . . . A 24 LEU HD22 . 18939 1 232 . 1 1 24 24 LEU HD23 H 1 0.850 0.005 . 2 . . . A 24 LEU HD23 . 18939 1 233 . 1 1 24 24 LEU C C 13 179.906 0.005 . 1 . . . A 24 LEU C . 18939 1 234 . 1 1 24 24 LEU CA C 13 53.358 0.005 . 1 . . . A 24 LEU CA . 18939 1 235 . 1 1 24 24 LEU CB C 13 44.767 0.051 . 1 . . . A 24 LEU CB . 18939 1 236 . 1 1 24 24 LEU CD2 C 13 23.498 0.005 . 1 . . . A 24 LEU CD2 . 18939 1 237 . 1 1 24 24 LEU N N 15 118.858 0.022 . 1 . . . A 24 LEU N . 18939 1 238 . 1 1 25 25 VAL H H 1 8.674 0.007 . 1 . . . A 25 VAL H . 18939 1 239 . 1 1 25 25 VAL HA H 1 5.085 0.005 . 1 . . . A 25 VAL HA . 18939 1 240 . 1 1 25 25 VAL HB H 1 2.048 0.005 . 1 . . . A 25 VAL HB . 18939 1 241 . 1 1 25 25 VAL HG11 H 1 0.608 0.005 . 2 . . . A 25 VAL HG11 . 18939 1 242 . 1 1 25 25 VAL HG12 H 1 0.608 0.005 . 2 . . . A 25 VAL HG12 . 18939 1 243 . 1 1 25 25 VAL HG13 H 1 0.608 0.005 . 2 . . . A 25 VAL HG13 . 18939 1 244 . 1 1 25 25 VAL HG21 H 1 0.902 0.006 . 2 . . . A 25 VAL HG21 . 18939 1 245 . 1 1 25 25 VAL HG22 H 1 0.902 0.006 . 2 . . . A 25 VAL HG22 . 18939 1 246 . 1 1 25 25 VAL HG23 H 1 0.902 0.006 . 2 . . . A 25 VAL HG23 . 18939 1 247 . 1 1 25 25 VAL C C 13 177.054 0.005 . 1 . . . A 25 VAL C . 18939 1 248 . 1 1 25 25 VAL CA C 13 59.964 0.005 . 1 . . . A 25 VAL CA . 18939 1 249 . 1 1 25 25 VAL CB C 13 32.547 0.005 . 1 . . . A 25 VAL CB . 18939 1 250 . 1 1 25 25 VAL CG1 C 13 21.420 0.005 . 1 . . . A 25 VAL CG1 . 18939 1 251 . 1 1 25 25 VAL CG2 C 13 20.319 0.005 . 1 . . . A 25 VAL CG2 . 18939 1 252 . 1 1 25 25 VAL N N 15 128.503 0.048 . 1 . . . A 25 VAL N . 18939 1 253 . 1 1 26 26 LEU H H 1 8.342 0.005 . 1 . . . A 26 LEU H . 18939 1 254 . 1 1 26 26 LEU HA H 1 5.866 0.002 . 1 . . . A 26 LEU HA . 18939 1 255 . 1 1 26 26 LEU HB2 H 1 1.354 0.005 . 2 . . . A 26 LEU HB2 . 18939 1 256 . 1 1 26 26 LEU HB3 H 1 1.591 0.005 . 2 . . . A 26 LEU HB3 . 18939 1 257 . 1 1 26 26 LEU HG H 1 1.029 0.005 . 1 . . . A 26 LEU HG . 18939 1 258 . 1 1 26 26 LEU HD11 H 1 0.653 0.005 . 2 . . . A 26 LEU HD11 . 18939 1 259 . 1 1 26 26 LEU HD12 H 1 0.653 0.005 . 2 . . . A 26 LEU HD12 . 18939 1 260 . 1 1 26 26 LEU HD13 H 1 0.653 0.005 . 2 . . . A 26 LEU HD13 . 18939 1 261 . 1 1 26 26 LEU HD21 H 1 0.651 0.005 . 2 . . . A 26 LEU HD21 . 18939 1 262 . 1 1 26 26 LEU HD22 H 1 0.651 0.005 . 2 . . . A 26 LEU HD22 . 18939 1 263 . 1 1 26 26 LEU HD23 H 1 0.651 0.005 . 2 . . . A 26 LEU HD23 . 18939 1 264 . 1 1 26 26 LEU C C 13 176.169 0.005 . 1 . . . A 26 LEU C . 18939 1 265 . 1 1 26 26 LEU CA C 13 51.781 0.005 . 1 . . . A 26 LEU CA . 18939 1 266 . 1 1 26 26 LEU CB C 13 48.006 0.005 . 1 . . . A 26 LEU CB . 18939 1 267 . 1 1 26 26 LEU CG C 13 25.601 0.005 . 1 . . . A 26 LEU CG . 18939 1 268 . 1 1 26 26 LEU CD1 C 13 26.282 0.005 . 1 . . . A 26 LEU CD1 . 18939 1 269 . 1 1 26 26 LEU CD2 C 13 26.121 0.005 . 1 . . . A 26 LEU CD2 . 18939 1 270 . 1 1 26 26 LEU N N 15 124.216 0.031 . 1 . . . A 26 LEU N . 18939 1 271 . 1 1 27 27 SER H H 1 10.755 0.002 . 1 . . . A 27 SER H . 18939 1 272 . 1 1 27 27 SER HA H 1 4.633 0.003 . 1 . . . A 27 SER HA . 18939 1 273 . 1 1 27 27 SER HB2 H 1 3.962 0.003 . 2 . . . A 27 SER HB2 . 18939 1 274 . 1 1 27 27 SER HB3 H 1 4.434 0.003 . 2 . . . A 27 SER HB3 . 18939 1 275 . 1 1 27 27 SER C C 13 177.424 0.005 . 1 . . . A 27 SER C . 18939 1 276 . 1 1 27 27 SER CA C 13 56.792 0.005 . 1 . . . A 27 SER CA . 18939 1 277 . 1 1 27 27 SER CB C 13 65.922 0.005 . 1 . . . A 27 SER CB . 18939 1 278 . 1 1 27 27 SER N N 15 118.745 0.044 . 1 . . . A 27 SER N . 18939 1 279 . 1 1 28 28 LYS H H 1 9.036 0.002 . 1 . . . A 28 LYS H . 18939 1 280 . 1 1 28 28 LYS HA H 1 3.828 0.019 . 1 . . . A 28 LYS HA . 18939 1 281 . 1 1 28 28 LYS HB2 H 1 1.821 0.005 . 2 . . . A 28 LYS HB2 . 18939 1 282 . 1 1 28 28 LYS HB3 H 1 1.858 0.005 . 2 . . . A 28 LYS HB3 . 18939 1 283 . 1 1 28 28 LYS HE2 H 1 2.819 0.005 . 2 . . . A 28 LYS HE2 . 18939 1 284 . 1 1 28 28 LYS HE3 H 1 2.819 0.005 . 2 . . . A 28 LYS HE3 . 18939 1 285 . 1 1 28 28 LYS C C 13 173.558 0.005 . 1 . . . A 28 LYS C . 18939 1 286 . 1 1 28 28 LYS CA C 13 60.491 0.005 . 1 . . . A 28 LYS CA . 18939 1 287 . 1 1 28 28 LYS CB C 13 31.153 0.065 . 1 . . . A 28 LYS CB . 18939 1 288 . 1 1 28 28 LYS CE C 13 41.593 0.005 . 1 . . . A 28 LYS CE . 18939 1 289 . 1 1 28 28 LYS N N 15 121.845 0.010 . 1 . . . A 28 LYS N . 18939 1 290 . 1 1 29 29 GLU H H 1 8.806 0.009 . 1 . . . A 29 GLU H . 18939 1 291 . 1 1 29 29 GLU HA H 1 4.177 0.040 . 1 . . . A 29 GLU HA . 18939 1 292 . 1 1 29 29 GLU HB2 H 1 2.013 0.005 . 2 . . . A 29 GLU HB2 . 18939 1 293 . 1 1 29 29 GLU HB3 H 1 2.251 0.005 . 2 . . . A 29 GLU HB3 . 18939 1 294 . 1 1 29 29 GLU HG2 H 1 2.298 0.005 . 2 . . . A 29 GLU HG2 . 18939 1 295 . 1 1 29 29 GLU HG3 H 1 2.298 0.005 . 2 . . . A 29 GLU HG3 . 18939 1 296 . 1 1 29 29 GLU C C 13 172.212 0.005 . 1 . . . A 29 GLU C . 18939 1 297 . 1 1 29 29 GLU CA C 13 59.456 0.005 . 1 . . . A 29 GLU CA . 18939 1 298 . 1 1 29 29 GLU CB C 13 28.289 0.067 . 1 . . . A 29 GLU CB . 18939 1 299 . 1 1 29 29 GLU CG C 13 35.925 0.005 . 1 . . . A 29 GLU CG . 18939 1 300 . 1 1 29 29 GLU N N 15 117.749 0.029 . 1 . . . A 29 GLU N . 18939 1 301 . 1 1 30 30 GLY H H 1 8.510 0.002 . 1 . . . A 30 GLY H . 18939 1 302 . 1 1 30 30 GLY HA2 H 1 3.482 0.005 . 2 . . . A 30 GLY HA2 . 18939 1 303 . 1 1 30 30 GLY HA3 H 1 3.546 0.001 . 2 . . . A 30 GLY HA3 . 18939 1 304 . 1 1 30 30 GLY C C 13 177.597 0.005 . 1 . . . A 30 GLY C . 18939 1 305 . 1 1 30 30 GLY CA C 13 46.028 0.005 . 1 . . . A 30 GLY CA . 18939 1 306 . 1 1 30 30 GLY N N 15 109.376 0.072 . 1 . . . A 30 GLY N . 18939 1 307 . 1 1 31 31 ALA H H 1 9.204 0.005 . 1 . . . A 31 ALA H . 18939 1 308 . 1 1 31 31 ALA HA H 1 3.943 0.008 . 1 . . . A 31 ALA HA . 18939 1 309 . 1 1 31 31 ALA HB1 H 1 1.429 0.005 . 1 . . . A 31 ALA HB1 . 18939 1 310 . 1 1 31 31 ALA HB2 H 1 1.429 0.005 . 1 . . . A 31 ALA HB2 . 18939 1 311 . 1 1 31 31 ALA HB3 H 1 1.429 0.005 . 1 . . . A 31 ALA HB3 . 18939 1 312 . 1 1 31 31 ALA C C 13 173.447 0.005 . 1 . . . A 31 ALA C . 18939 1 313 . 1 1 31 31 ALA CA C 13 54.600 0.005 . 1 . . . A 31 ALA CA . 18939 1 314 . 1 1 31 31 ALA CB C 13 17.212 0.005 . 1 . . . A 31 ALA CB . 18939 1 315 . 1 1 31 31 ALA N N 15 123.501 0.021 . 1 . . . A 31 ALA N . 18939 1 316 . 1 1 32 32 GLU H H 1 8.096 0.006 . 1 . . . A 32 GLU H . 18939 1 317 . 1 1 32 32 GLU HA H 1 3.883 0.005 . 1 . . . A 32 GLU HA . 18939 1 318 . 1 1 32 32 GLU HB2 H 1 2.135 0.001 . 2 . . . A 32 GLU HB2 . 18939 1 319 . 1 1 32 32 GLU HB3 H 1 2.135 0.001 . 2 . . . A 32 GLU HB3 . 18939 1 320 . 1 1 32 32 GLU HG2 H 1 3.192 0.692 . 2 . . . A 32 GLU HG2 . 18939 1 321 . 1 1 32 32 GLU HG3 H 1 3.192 0.692 . 2 . . . A 32 GLU HG3 . 18939 1 322 . 1 1 32 32 GLU C C 13 172.394 0.005 . 1 . . . A 32 GLU C . 18939 1 323 . 1 1 32 32 GLU CA C 13 59.211 0.005 . 1 . . . A 32 GLU CA . 18939 1 324 . 1 1 32 32 GLU CB C 13 28.699 0.005 . 1 . . . A 32 GLU CB . 18939 1 325 . 1 1 32 32 GLU CG C 13 36.243 0.005 . 1 . . . A 32 GLU CG . 18939 1 326 . 1 1 32 32 GLU N N 15 117.096 0.044 . 1 . . . A 32 GLU N . 18939 1 327 . 1 1 33 33 GLN H H 1 7.902 0.004 . 1 . . . A 33 GLN H . 18939 1 328 . 1 1 33 33 GLN HA H 1 4.096 0.001 . 1 . . . A 33 GLN HA . 18939 1 329 . 1 1 33 33 GLN HB2 H 1 2.236 0.005 . 2 . . . A 33 GLN HB2 . 18939 1 330 . 1 1 33 33 GLN HB3 H 1 2.236 0.005 . 2 . . . A 33 GLN HB3 . 18939 1 331 . 1 1 33 33 GLN HG2 H 1 2.341 0.004 . 2 . . . A 33 GLN HG2 . 18939 1 332 . 1 1 33 33 GLN HG3 H 1 2.341 0.004 . 2 . . . A 33 GLN HG3 . 18939 1 333 . 1 1 33 33 GLN C C 13 172.999 0.005 . 1 . . . A 33 GLN C . 18939 1 334 . 1 1 33 33 GLN CA C 13 58.953 0.005 . 1 . . . A 33 GLN CA . 18939 1 335 . 1 1 33 33 GLN CB C 13 27.408 0.005 . 1 . . . A 33 GLN CB . 18939 1 336 . 1 1 33 33 GLN CG C 13 32.580 0.005 . 1 . . . A 33 GLN CG . 18939 1 337 . 1 1 33 33 GLN N N 15 118.831 0.027 . 1 . . . A 33 GLN N . 18939 1 338 . 1 1 34 34 ILE H H 1 8.349 0.004 . 1 . . . A 34 ILE H . 18939 1 339 . 1 1 34 34 ILE HA H 1 4.049 0.004 . 1 . . . A 34 ILE HA . 18939 1 340 . 1 1 34 34 ILE HB H 1 2.131 0.005 . 1 . . . A 34 ILE HB . 18939 1 341 . 1 1 34 34 ILE HG12 H 1 0.842 0.005 . 2 . . . A 34 ILE HG12 . 18939 1 342 . 1 1 34 34 ILE HG13 H 1 0.842 0.005 . 2 . . . A 34 ILE HG13 . 18939 1 343 . 1 1 34 34 ILE HG21 H 1 0.770 0.005 . 1 . . . A 34 ILE HG21 . 18939 1 344 . 1 1 34 34 ILE HG22 H 1 0.770 0.005 . 1 . . . A 34 ILE HG22 . 18939 1 345 . 1 1 34 34 ILE HG23 H 1 0.770 0.005 . 1 . . . A 34 ILE HG23 . 18939 1 346 . 1 1 34 34 ILE HD11 H 1 0.692 0.005 . 1 . . . A 34 ILE HD11 . 18939 1 347 . 1 1 34 34 ILE HD12 H 1 0.692 0.005 . 1 . . . A 34 ILE HD12 . 18939 1 348 . 1 1 34 34 ILE HD13 H 1 0.692 0.005 . 1 . . . A 34 ILE HD13 . 18939 1 349 . 1 1 34 34 ILE C C 13 174.323 0.005 . 1 . . . A 34 ILE C . 18939 1 350 . 1 1 34 34 ILE CA C 13 61.505 0.005 . 1 . . . A 34 ILE CA . 18939 1 351 . 1 1 34 34 ILE CB C 13 35.279 0.005 . 1 . . . A 34 ILE CB . 18939 1 352 . 1 1 34 34 ILE CG1 C 13 17.787 0.005 . 1 . . . A 34 ILE CG1 . 18939 1 353 . 1 1 34 34 ILE CG2 C 13 17.965 0.005 . 1 . . . A 34 ILE CG2 . 18939 1 354 . 1 1 34 34 ILE CD1 C 13 11.274 0.005 . 1 . . . A 34 ILE CD1 . 18939 1 355 . 1 1 34 34 ILE N N 15 118.760 0.037 . 1 . . . A 34 ILE N . 18939 1 356 . 1 1 35 35 ILE H H 1 8.501 0.001 . 1 . . . A 35 ILE H . 18939 1 357 . 1 1 35 35 ILE HA H 1 3.589 0.006 . 1 . . . A 35 ILE HA . 18939 1 358 . 1 1 35 35 ILE HB H 1 1.882 0.005 . 1 . . . A 35 ILE HB . 18939 1 359 . 1 1 35 35 ILE HG12 H 1 1.074 0.005 . 2 . . . A 35 ILE HG12 . 18939 1 360 . 1 1 35 35 ILE HG13 H 1 1.074 0.005 . 2 . . . A 35 ILE HG13 . 18939 1 361 . 1 1 35 35 ILE HG21 H 1 0.895 0.005 . 1 . . . A 35 ILE HG21 . 18939 1 362 . 1 1 35 35 ILE HG22 H 1 0.895 0.005 . 1 . . . A 35 ILE HG22 . 18939 1 363 . 1 1 35 35 ILE HG23 H 1 0.895 0.005 . 1 . . . A 35 ILE HG23 . 18939 1 364 . 1 1 35 35 ILE HD11 H 1 0.849 0.005 . 1 . . . A 35 ILE HD11 . 18939 1 365 . 1 1 35 35 ILE HD12 H 1 0.849 0.005 . 1 . . . A 35 ILE HD12 . 18939 1 366 . 1 1 35 35 ILE HD13 H 1 0.849 0.005 . 1 . . . A 35 ILE HD13 . 18939 1 367 . 1 1 35 35 ILE C C 13 174.498 0.005 . 1 . . . A 35 ILE C . 18939 1 368 . 1 1 35 35 ILE CA C 13 65.762 0.005 . 1 . . . A 35 ILE CA . 18939 1 369 . 1 1 35 35 ILE CB C 13 36.520 0.005 . 1 . . . A 35 ILE CB . 18939 1 370 . 1 1 35 35 ILE CG1 C 13 28.708 0.005 . 1 . . . A 35 ILE CG1 . 18939 1 371 . 1 1 35 35 ILE CG2 C 13 16.669 0.005 . 1 . . . A 35 ILE CG2 . 18939 1 372 . 1 1 35 35 ILE CD1 C 13 12.998 0.005 . 1 . . . A 35 ILE CD1 . 18939 1 373 . 1 1 35 35 ILE N N 15 120.590 0.032 . 1 . . . A 35 ILE N . 18939 1 374 . 1 1 36 36 SER H H 1 7.378 0.006 . 1 . . . A 36 SER H . 18939 1 375 . 1 1 36 36 SER HA H 1 4.219 0.005 . 1 . . . A 36 SER HA . 18939 1 376 . 1 1 36 36 SER HB2 H 1 3.987 0.001 . 2 . . . A 36 SER HB2 . 18939 1 377 . 1 1 36 36 SER HB3 H 1 3.987 0.001 . 2 . . . A 36 SER HB3 . 18939 1 378 . 1 1 36 36 SER C C 13 175.232 0.005 . 1 . . . A 36 SER C . 18939 1 379 . 1 1 36 36 SER CA C 13 60.768 0.005 . 1 . . . A 36 SER CA . 18939 1 380 . 1 1 36 36 SER CB C 13 62.253 0.005 . 1 . . . A 36 SER CB . 18939 1 381 . 1 1 36 36 SER N N 15 113.602 0.072 . 1 . . . A 36 SER N . 18939 1 382 . 1 1 37 37 GLU H H 1 8.156 0.005 . 1 . . . A 37 GLU H . 18939 1 383 . 1 1 37 37 GLU HA H 1 4.107 0.007 . 1 . . . A 37 GLU HA . 18939 1 384 . 1 1 37 37 GLU HB2 H 1 2.226 0.005 . 2 . . . A 37 GLU HB2 . 18939 1 385 . 1 1 37 37 GLU HB3 H 1 2.226 0.005 . 2 . . . A 37 GLU HB3 . 18939 1 386 . 1 1 37 37 GLU HG2 H 1 2.629 0.005 . 2 . . . A 37 GLU HG2 . 18939 1 387 . 1 1 37 37 GLU HG3 H 1 2.629 0.005 . 2 . . . A 37 GLU HG3 . 18939 1 388 . 1 1 37 37 GLU C C 13 172.462 0.005 . 1 . . . A 37 GLU C . 18939 1 389 . 1 1 37 37 GLU CA C 13 59.621 0.005 . 1 . . . A 37 GLU CA . 18939 1 390 . 1 1 37 37 GLU CB C 13 29.774 0.005 . 1 . . . A 37 GLU CB . 18939 1 391 . 1 1 37 37 GLU CG C 13 36.460 0.005 . 1 . . . A 37 GLU CG . 18939 1 392 . 1 1 37 37 GLU N N 15 121.675 0.004 . 1 . . . A 37 GLU N . 18939 1 393 . 1 1 38 38 ILE H H 1 8.839 0.005 . 1 . . . A 38 ILE H . 18939 1 394 . 1 1 38 38 ILE HA H 1 3.386 0.006 . 1 . . . A 38 ILE HA . 18939 1 395 . 1 1 38 38 ILE HB H 1 1.859 0.005 . 1 . . . A 38 ILE HB . 18939 1 396 . 1 1 38 38 ILE HG12 H 1 2.008 0.005 . 2 . . . A 38 ILE HG12 . 18939 1 397 . 1 1 38 38 ILE HG13 H 1 2.008 0.005 . 2 . . . A 38 ILE HG13 . 18939 1 398 . 1 1 38 38 ILE HG21 H 1 0.799 0.005 . 1 . . . A 38 ILE HG21 . 18939 1 399 . 1 1 38 38 ILE HG22 H 1 0.799 0.005 . 1 . . . A 38 ILE HG22 . 18939 1 400 . 1 1 38 38 ILE HG23 H 1 0.799 0.005 . 1 . . . A 38 ILE HG23 . 18939 1 401 . 1 1 38 38 ILE HD11 H 1 0.676 0.005 . 1 . . . A 38 ILE HD11 . 18939 1 402 . 1 1 38 38 ILE HD12 H 1 0.676 0.005 . 1 . . . A 38 ILE HD12 . 18939 1 403 . 1 1 38 38 ILE HD13 H 1 0.676 0.005 . 1 . . . A 38 ILE HD13 . 18939 1 404 . 1 1 38 38 ILE C C 13 174.387 0.005 . 1 . . . A 38 ILE C . 18939 1 405 . 1 1 38 38 ILE CA C 13 65.954 0.005 . 1 . . . A 38 ILE CA . 18939 1 406 . 1 1 38 38 ILE CB C 13 37.421 0.005 . 1 . . . A 38 ILE CB . 18939 1 407 . 1 1 38 38 ILE CG1 C 13 29.794 0.005 . 1 . . . A 38 ILE CG1 . 18939 1 408 . 1 1 38 38 ILE CG2 C 13 18.066 0.005 . 1 . . . A 38 ILE CG2 . 18939 1 409 . 1 1 38 38 ILE CD1 C 13 13.715 0.005 . 1 . . . A 38 ILE CD1 . 18939 1 410 . 1 1 38 38 ILE N N 15 119.191 0.012 . 1 . . . A 38 ILE N . 18939 1 411 . 1 1 39 39 GLN H H 1 8.280 0.006 . 1 . . . A 39 GLN H . 18939 1 412 . 1 1 39 39 GLN HA H 1 3.968 0.006 . 1 . . . A 39 GLN HA . 18939 1 413 . 1 1 39 39 GLN HB2 H 1 2.022 0.005 . 2 . . . A 39 GLN HB2 . 18939 1 414 . 1 1 39 39 GLN HB3 H 1 2.230 0.005 . 2 . . . A 39 GLN HB3 . 18939 1 415 . 1 1 39 39 GLN HG2 H 1 2.597 0.005 . 2 . . . A 39 GLN HG2 . 18939 1 416 . 1 1 39 39 GLN HG3 H 1 2.597 0.005 . 2 . . . A 39 GLN HG3 . 18939 1 417 . 1 1 39 39 GLN C C 13 173.402 0.005 . 1 . . . A 39 GLN C . 18939 1 418 . 1 1 39 39 GLN CA C 13 58.640 0.005 . 1 . . . A 39 GLN CA . 18939 1 419 . 1 1 39 39 GLN CB C 13 27.185 0.005 . 1 . . . A 39 GLN CB . 18939 1 420 . 1 1 39 39 GLN CG C 13 33.488 0.005 . 1 . . . A 39 GLN CG . 18939 1 421 . 1 1 39 39 GLN N N 15 116.519 0.082 . 1 . . . A 39 GLN N . 18939 1 422 . 1 1 40 40 ASN H H 1 7.984 0.004 . 1 . . . A 40 ASN H . 18939 1 423 . 1 1 40 40 ASN HA H 1 4.481 0.004 . 1 . . . A 40 ASN HA . 18939 1 424 . 1 1 40 40 ASN HB2 H 1 2.967 0.005 . 2 . . . A 40 ASN HB2 . 18939 1 425 . 1 1 40 40 ASN HB3 H 1 2.999 0.005 . 2 . . . A 40 ASN HB3 . 18939 1 426 . 1 1 40 40 ASN C C 13 174.671 0.005 . 1 . . . A 40 ASN C . 18939 1 427 . 1 1 40 40 ASN CA C 13 55.454 0.005 . 1 . . . A 40 ASN CA . 18939 1 428 . 1 1 40 40 ASN CB C 13 38.151 0.005 . 1 . . . A 40 ASN CB . 18939 1 429 . 1 1 40 40 ASN N N 15 116.176 0.051 . 1 . . . A 40 ASN N . 18939 1 430 . 1 1 41 41 GLN H H 1 8.196 0.002 . 1 . . . A 41 GLN H . 18939 1 431 . 1 1 41 41 GLN HA H 1 4.200 0.003 . 1 . . . A 41 GLN HA . 18939 1 432 . 1 1 41 41 GLN HG2 H 1 2.440 0.005 . 2 . . . A 41 GLN HG2 . 18939 1 433 . 1 1 41 41 GLN HG3 H 1 2.603 0.005 . 2 . . . A 41 GLN HG3 . 18939 1 434 . 1 1 41 41 GLN C C 13 173.354 0.005 . 1 . . . A 41 GLN C . 18939 1 435 . 1 1 41 41 GLN CG C 13 33.702 0.152 . 1 . . . A 41 GLN CG . 18939 1 436 . 1 1 41 41 GLN N N 15 118.030 0.018 . 1 . . . A 41 GLN N . 18939 1 437 . 1 1 42 42 LEU H H 1 8.538 0.005 . 1 . . . A 42 LEU H . 18939 1 438 . 1 1 42 42 LEU HA H 1 4.249 0.014 . 1 . . . A 42 LEU HA . 18939 1 439 . 1 1 42 42 LEU HB2 H 1 1.602 0.005 . 2 . . . A 42 LEU HB2 . 18939 1 440 . 1 1 42 42 LEU HB3 H 1 1.851 0.005 . 2 . . . A 42 LEU HB3 . 18939 1 441 . 1 1 42 42 LEU HG H 1 1.851 0.005 . 1 . . . A 42 LEU HG . 18939 1 442 . 1 1 42 42 LEU HD11 H 1 0.866 0.005 . 2 . . . A 42 LEU HD11 . 18939 1 443 . 1 1 42 42 LEU HD12 H 1 0.866 0.005 . 2 . . . A 42 LEU HD12 . 18939 1 444 . 1 1 42 42 LEU HD13 H 1 0.866 0.005 . 2 . . . A 42 LEU HD13 . 18939 1 445 . 1 1 42 42 LEU HD21 H 1 0.908 0.005 . 2 . . . A 42 LEU HD21 . 18939 1 446 . 1 1 42 42 LEU HD22 H 1 0.908 0.005 . 2 . . . A 42 LEU HD22 . 18939 1 447 . 1 1 42 42 LEU HD23 H 1 0.908 0.005 . 2 . . . A 42 LEU HD23 . 18939 1 448 . 1 1 42 42 LEU C C 13 173.258 0.005 . 1 . . . A 42 LEU C . 18939 1 449 . 1 1 42 42 LEU CA C 13 55.718 0.005 . 1 . . . A 42 LEU CA . 18939 1 450 . 1 1 42 42 LEU CB C 13 41.275 0.005 . 1 . . . A 42 LEU CB . 18939 1 451 . 1 1 42 42 LEU CG C 13 25.965 0.005 . 1 . . . A 42 LEU CG . 18939 1 452 . 1 1 42 42 LEU CD1 C 13 22.033 0.005 . 1 . . . A 42 LEU CD1 . 18939 1 453 . 1 1 42 42 LEU CD2 C 13 24.957 0.005 . 1 . . . A 42 LEU CD2 . 18939 1 454 . 1 1 42 42 LEU N N 15 118.337 0.047 . 1 . . . A 42 LEU N . 18939 1 455 . 1 1 43 43 GLN H H 1 7.791 0.003 . 1 . . . A 43 GLN H . 18939 1 456 . 1 1 43 43 GLN HA H 1 4.257 0.010 . 1 . . . A 43 GLN HA . 18939 1 457 . 1 1 43 43 GLN C C 13 175.786 0.005 . 1 . . . A 43 GLN C . 18939 1 458 . 1 1 43 43 GLN CA C 13 56.695 0.005 . 1 . . . A 43 GLN CA . 18939 1 459 . 1 1 43 43 GLN N N 15 117.142 0.029 . 1 . . . A 43 GLN N . 18939 1 460 . 1 1 44 44 ASN H H 1 7.851 0.005 . 1 . . . A 44 ASN H . 18939 1 461 . 1 1 44 44 ASN HA H 1 4.733 0.006 . 1 . . . A 44 ASN HA . 18939 1 462 . 1 1 44 44 ASN HB2 H 1 2.751 0.005 . 2 . . . A 44 ASN HB2 . 18939 1 463 . 1 1 44 44 ASN HB3 H 1 2.894 0.005 . 2 . . . A 44 ASN HB3 . 18939 1 464 . 1 1 44 44 ASN C C 13 177.180 0.005 . 1 . . . A 44 ASN C . 18939 1 465 . 1 1 44 44 ASN CA C 13 52.800 0.005 . 1 . . . A 44 ASN CA . 18939 1 466 . 1 1 44 44 ASN CB C 13 38.296 0.017 . 1 . . . A 44 ASN CB . 18939 1 467 . 1 1 44 44 ASN N N 15 116.521 0.005 . 1 . . . A 44 ASN N . 18939 1 468 . 1 1 45 45 LEU H H 1 7.752 0.016 . 1 . . . A 45 LEU H . 18939 1 469 . 1 1 45 45 LEU HA H 1 4.380 0.005 . 1 . . . A 45 LEU HA . 18939 1 470 . 1 1 45 45 LEU HB2 H 1 1.685 0.014 . 2 . . . A 45 LEU HB2 . 18939 1 471 . 1 1 45 45 LEU HB3 H 1 1.685 0.014 . 2 . . . A 45 LEU HB3 . 18939 1 472 . 1 1 45 45 LEU HG H 1 3.056 1.330 . 1 . . . A 45 LEU HG . 18939 1 473 . 1 1 45 45 LEU HD21 H 1 0.901 0.005 . 2 . . . A 45 LEU HD21 . 18939 1 474 . 1 1 45 45 LEU HD22 H 1 0.901 0.005 . 2 . . . A 45 LEU HD22 . 18939 1 475 . 1 1 45 45 LEU HD23 H 1 0.901 0.005 . 2 . . . A 45 LEU HD23 . 18939 1 476 . 1 1 45 45 LEU C C 13 175.838 0.005 . 1 . . . A 45 LEU C . 18939 1 477 . 1 1 45 45 LEU CA C 13 54.554 0.005 . 1 . . . A 45 LEU CA . 18939 1 478 . 1 1 45 45 LEU CB C 13 41.577 0.005 . 1 . . . A 45 LEU CB . 18939 1 479 . 1 1 45 45 LEU CG C 13 26.137 0.005 . 1 . . . A 45 LEU CG . 18939 1 480 . 1 1 45 45 LEU CD2 C 13 24.560 0.005 . 1 . . . A 45 LEU CD2 . 18939 1 481 . 1 1 45 45 LEU N N 15 121.384 0.035 . 1 . . . A 45 LEU N . 18939 1 482 . 1 1 46 46 LYS H H 1 7.756 0.017 . 1 . . . A 46 LYS H . 18939 1 483 . 1 1 46 46 LYS HA H 1 4.125 0.005 . 1 . . . A 46 LYS HA . 18939 1 484 . 1 1 46 46 LYS HB2 H 1 1.717 0.005 . 2 . . . A 46 LYS HB2 . 18939 1 485 . 1 1 46 46 LYS HB3 H 1 1.717 0.005 . 2 . . . A 46 LYS HB3 . 18939 1 486 . 1 1 46 46 LYS HE2 H 1 2.981 0.005 . 2 . . . A 46 LYS HE2 . 18939 1 487 . 1 1 46 46 LYS HE3 H 1 2.981 0.005 . 2 . . . A 46 LYS HE3 . 18939 1 488 . 1 1 46 46 LYS N N 15 126.584 0.008 . 1 . . . A 46 LYS N . 18939 1 stop_ save_