data_6478 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6478 _Entry.Title ; The N-domain of the transcription factor AbrB ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2005-02-02 _Entry.Accession_date 2005-02-08 _Entry.Last_release_date 2005-06-12 _Entry.Original_release_date 2005-06-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Murray Coles . . . 6478 2 Vincent Truffault . . . 6478 3 Andrei Lupas . N. . 6478 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6478 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 406 6478 '13C chemical shifts' 222 6478 '15N chemical shifts' 55 6478 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 . . 2005-06-12 2005-02-02 original author . 6478 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6478 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15939023 _Citation.Full_citation . _Citation.Title ; AbrB-like Transcription Factors Assume a Swapped Hairpin Fold that Is Evolutionarily Related to Double-Psi beta Barrels ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Structure (Camb)' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 6 _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 919 _Citation.Page_last 928 _Citation.Year 2005 _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 Murray Coles . . . 6478 1 2 Sergej Djuranovic . . . 6478 1 3 Johannes Soding . . . 6478 1 4 Tancred Frickey . . . 6478 1 5 Kristin Koretke . . . 6478 1 6 Vincent Truffault . . . 6478 1 7 Joerg Martin . . . 6478 1 8 Andrei Lupas . N. . 6478 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 6478 1 Homodimer 6478 1 Bioinformatics 6478 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_abrB _Assembly.Sf_category assembly _Assembly.Sf_framecode system_abrB _Assembly.Entry_ID 6478 _Assembly.ID 1 _Assembly.Name 'Transition state regulatory protein abrB' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID homodimer 6478 1 stop_ 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 'Transition state regulatory protein abrB, chain A' 1 $abrB . . . native . . 1 . . 6478 1 2 'Transition state regulatory protein abrB, chain B' 1 $abrB . . . native . . 1 . . 6478 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1YFB . 'The solution structure of the N-domain of the transcription factor AbrB.' . . . 'regularised average structure.' 6478 1 . PDB 1YSF . 'The solution structure of the N-domain of the transcription factor AbrB.' . . . 'ensemble of 25 structures.' 6478 1 . SWISS-PROT P08874 . ABRB_BACSU . . . . 6478 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Transition state regulatory protein abrB' system 6478 1 'Transition state regulatory protein abrB' abbreviation 6478 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_abrB _Entity.Sf_category entity _Entity.Sf_framecode abrB _Entity.Entry_ID 6478 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Transition state regulatory protein abrB' _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 ; MFMKSTGIVRKVDELGRVVI PIELRRTLGIAEKDALEIYV DDEKIILKKYKPN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 53 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 BMRB 17650 . ba . . . . . 96.23 94 100.00 100.00 1.22e-25 . . . . 6478 1 2 no BMRB 4281 . AbrBN . . . . . 96.23 53 100.00 100.00 1.44e-25 . . . . 6478 1 3 no PDB 1YFB . "The Solution Structure Of The N-Domain Of The Transcription Factor Abrb" . . . . . 98.11 59 100.00 100.00 3.09e-27 . . . . 6478 1 4 no PDB 1YSF . "The Solution Structure Of The N-Domain Of The Transcription Factor Abrb" . . . . . 98.11 59 100.00 100.00 3.09e-27 . . . . 6478 1 5 no PDB 1Z0R . "Solution Structure Of The N-Terminal Dna Recognition Domain Of The Bacillus Subtilis Transcription-State Regulator Abrb" . . . . . 96.23 53 100.00 100.00 1.44e-25 . . . . 6478 1 6 no PDB 2K1N . "Dna Bound Structure Of The N-Terminal Domain Of Abrb" . . . . . 96.23 55 100.00 100.00 1.11e-25 . . . . 6478 1 7 no PDB 2RO4 . "Rdc-Refined Solution Structure Of The N-Terminal Dna Recognition Domain Of The Bacillus Subtilis Transition-State Regulator Abr" . . . . . 96.23 53 100.00 100.00 1.44e-25 . . . . 6478 1 8 no DBJ BAA05272 . "transition state regulatory protein [Bacillus subtilis]" . . . . . 100.00 96 100.00 100.00 7.34e-28 . . . . 6478 1 9 no DBJ BAI83483 . "transcriptional regulator [Bacillus subtilis subsp. natto BEST195]" . . . . . 100.00 96 100.00 100.00 7.34e-28 . . . . 6478 1 10 no DBJ BAL15827 . "transition state transcriptional regulatory protein AbrB [Bacillus cereus NC7401]" . . . . . 96.23 94 100.00 100.00 9.72e-26 . . . . 6478 1 11 no DBJ BAM48968 . "transcriptional regulator [Bacillus subtilis BEST7613]" . . . . . 96.23 94 100.00 100.00 6.31e-26 . . . . 6478 1 12 no DBJ BAM56238 . "transcriptional regulator [Bacillus subtilis BEST7003]" . . . . . 96.23 94 100.00 100.00 6.31e-26 . . . . 6478 1 13 no EMBL CAA31307 . "unnamed protein product [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 96 100.00 100.00 7.34e-28 . . . . 6478 1 14 no EMBL CAA43955 . "abrB [Bacillus subtilis]" . . . . . 96.23 94 100.00 100.00 6.31e-26 . . . . 6478 1 15 no EMBL CAB11813 . "transcriptional regulator for transition state genes [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 96 100.00 100.00 7.34e-28 . . . . 6478 1 16 no EMBL CBI41163 . "transcriptional regulator for transition state genes [Bacillus amyloliquefaciens DSM 7]" . . . . . 96.23 94 100.00 100.00 5.91e-26 . . . . 6478 1 17 no EMBL CCF03572 . "Transition state regulatory protein abrB [Bacillus amyloliquefaciens subsp. plantarum CAU B946]" . . . . . 96.23 94 100.00 100.00 5.91e-26 . . . . 6478 1 18 no GB AAA22195 . "abrB protein [Bacillus subtilis]" . . . . . 96.23 94 100.00 100.00 6.31e-26 . . . . 6478 1 19 no GB AAP07140 . "Transcription state regulatory protein abrB [Bacillus cereus ATCC 14579]" . . . . . 96.23 94 100.00 100.00 9.72e-26 . . . . 6478 1 20 no GB AAP24090 . "transition state transcriptional regulatory protein AbrB [Bacillus anthracis str. Ames]" . . . . . 96.23 94 100.00 100.00 1.22e-25 . . . . 6478 1 21 no GB AAS38971 . "transition state transcriptional regulatory protein AbrB [Bacillus cereus ATCC 10987]" . . . . . 96.23 94 100.00 100.00 9.72e-26 . . . . 6478 1 22 no GB AAT29114 . "transition state transcriptional regulatory protein AbrB [Bacillus anthracis str. 'Ames Ancestor']" . . . . . 96.23 94 100.00 100.00 1.22e-25 . . . . 6478 1 23 no PRF 1715209A . "transcription regulator AbrB" . . . . . 96.23 94 100.00 100.00 6.31e-26 . . . . 6478 1 24 no REF NP_387918 . "transition state regulatory protein AbrB [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 96 100.00 100.00 7.34e-28 . . . . 6478 1 25 no REF NP_829939 . "transcription state transcriptional regulator AbrB [Bacillus cereus ATCC 14579]" . . . . . 96.23 94 100.00 100.00 9.72e-26 . . . . 6478 1 26 no REF NP_842604 . "transition state transcriptional regulatory protein AbrB [Bacillus anthracis str. Ames]" . . . . . 96.23 94 100.00 100.00 1.22e-25 . . . . 6478 1 27 no REF NP_976363 . "transition state transcriptional regulatory protein AbrB [Bacillus cereus ATCC 10987]" . . . . . 96.23 94 100.00 100.00 9.72e-26 . . . . 6478 1 28 no REF WP_000843034 . "transition state regulator Abh [Bacillus anthracis]" . . . . . 96.23 94 100.00 100.00 1.23e-25 . . . . 6478 1 29 no SP P08874 . "RecName: Full=Transition state regulatory protein AbrB [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 96 100.00 100.00 7.34e-28 . . . . 6478 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Transition state regulatory protein abrB' common 6478 1 'Transition state regulatory protein abrB' abbreviation 6478 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 . 6478 1 2 . PHE . 6478 1 3 . MET . 6478 1 4 . LYS . 6478 1 5 . SER . 6478 1 6 . THR . 6478 1 7 . GLY . 6478 1 8 . ILE . 6478 1 9 . VAL . 6478 1 10 . ARG . 6478 1 11 . LYS . 6478 1 12 . VAL . 6478 1 13 . ASP . 6478 1 14 . GLU . 6478 1 15 . LEU . 6478 1 16 . GLY . 6478 1 17 . ARG . 6478 1 18 . VAL . 6478 1 19 . VAL . 6478 1 20 . ILE . 6478 1 21 . PRO . 6478 1 22 . ILE . 6478 1 23 . GLU . 6478 1 24 . LEU . 6478 1 25 . ARG . 6478 1 26 . ARG . 6478 1 27 . THR . 6478 1 28 . LEU . 6478 1 29 . GLY . 6478 1 30 . ILE . 6478 1 31 . ALA . 6478 1 32 . GLU . 6478 1 33 . LYS . 6478 1 34 . ASP . 6478 1 35 . ALA . 6478 1 36 . LEU . 6478 1 37 . GLU . 6478 1 38 . ILE . 6478 1 39 . TYR . 6478 1 40 . VAL . 6478 1 41 . ASP . 6478 1 42 . ASP . 6478 1 43 . GLU . 6478 1 44 . LYS . 6478 1 45 . ILE . 6478 1 46 . ILE . 6478 1 47 . LEU . 6478 1 48 . LYS . 6478 1 49 . LYS . 6478 1 50 . TYR . 6478 1 51 . LYS . 6478 1 52 . PRO . 6478 1 53 . ASN . 6478 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 6478 1 . PHE 2 2 6478 1 . MET 3 3 6478 1 . LYS 4 4 6478 1 . SER 5 5 6478 1 . THR 6 6 6478 1 . GLY 7 7 6478 1 . ILE 8 8 6478 1 . VAL 9 9 6478 1 . ARG 10 10 6478 1 . LYS 11 11 6478 1 . VAL 12 12 6478 1 . ASP 13 13 6478 1 . GLU 14 14 6478 1 . LEU 15 15 6478 1 . GLY 16 16 6478 1 . ARG 17 17 6478 1 . VAL 18 18 6478 1 . VAL 19 19 6478 1 . ILE 20 20 6478 1 . PRO 21 21 6478 1 . ILE 22 22 6478 1 . GLU 23 23 6478 1 . LEU 24 24 6478 1 . ARG 25 25 6478 1 . ARG 26 26 6478 1 . THR 27 27 6478 1 . LEU 28 28 6478 1 . GLY 29 29 6478 1 . ILE 30 30 6478 1 . ALA 31 31 6478 1 . GLU 32 32 6478 1 . LYS 33 33 6478 1 . ASP 34 34 6478 1 . ALA 35 35 6478 1 . LEU 36 36 6478 1 . GLU 37 37 6478 1 . ILE 38 38 6478 1 . TYR 39 39 6478 1 . VAL 40 40 6478 1 . ASP 41 41 6478 1 . ASP 42 42 6478 1 . GLU 43 43 6478 1 . LYS 44 44 6478 1 . ILE 45 45 6478 1 . ILE 46 46 6478 1 . LEU 47 47 6478 1 . LYS 48 48 6478 1 . LYS 49 49 6478 1 . TYR 50 50 6478 1 . LYS 51 51 6478 1 . PRO 52 52 6478 1 . ASN 53 53 6478 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 6478 _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 $abrB . 1423 . . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 6478 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 6478 _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 $abrB . 'recombinant technology' 'Esherichia coli' . . . Esherichia coli . . . . . . . . . . . . . plasmid . . pet30b . . . . . . 6478 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6478 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Transition state regulatory protein abrB' [U-15N] . . 1 $abrB . . 0.5 . . mM . . . . 6478 1 2 KPO4 . . . . . . . 20.0 . . mM . . . . 6478 1 3 KCl . . . . . . . 50.0 . . mM . . . . 6478 1 4 NaN3 . . . . . . . 0.02 . . % . . . . 6478 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6478 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Transition state regulatory protein abrB' [U-15N] . . 1 $abrB . . 0.25 . . mM . . . . 6478 2 2 'Transition state regulatory protein abrB' [U-13C] . . 1 $abrB . . 0.25 . . mM . . . . 6478 2 3 KPO4 . . . . . . . 20.0 . . mM . . . . 6478 2 4 KCl . . . . . . . 50.0 . . mM . . . . 6478 2 5 NaN3 . . . . . . . 0.02 . . % . . . . 6478 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6478 _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 pH 5.8 0.2 pH 6478 1 temperature 305 0.1 K 6478 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6478 _Software.ID 1 _Software.Name XWINNMR _Software.Version 3.5 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6478 1 processing 6478 1 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 6478 _Software.ID 2 _Software.Name NMRview _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6478 2 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 6478 _Software.ID 3 _Software.Name X-PLOR _Software.Version 2.9.7 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6478 3 refinement 6478 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6478 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6478 _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 NMR_spectrometer Bruker DMX . 900 . . . 6478 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 6478 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6478 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . . . . . 6478 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6478 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6478 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6478 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . . 2 $sample_2 . 6478 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 HE1 H 1 1.85 0.02 . 1 . . . . . . . . 6478 1 2 . 1 1 1 1 MET HE2 H 1 1.85 0.02 . 1 . . . . . . . . 6478 1 3 . 1 1 1 1 MET HE3 H 1 1.85 0.02 . 1 . . . . . . . . 6478 1 4 . 1 1 1 1 MET CE C 13 16.76 0.05 . 1 . . . . . . . . 6478 1 5 . 1 1 2 2 PHE H H 1 8.47 0.02 . 1 . . . . . . . . 6478 1 6 . 1 1 2 2 PHE HA H 1 4.46 0.02 . 1 . . . . . . . . 6478 1 7 . 1 1 2 2 PHE HB2 H 1 3.09 0.02 . 2 . . . . . . . . 6478 1 8 . 1 1 2 2 PHE HB3 H 1 2.98 0.02 . 2 . . . . . . . . 6478 1 9 . 1 1 2 2 PHE HD1 H 1 7.20 0.02 . 1 . . . . . . . . 6478 1 10 . 1 1 2 2 PHE HD2 H 1 7.20 0.02 . 1 . . . . . . . . 6478 1 11 . 1 1 2 2 PHE HE1 H 1 7.28 0.02 . 1 . . . . . . . . 6478 1 12 . 1 1 2 2 PHE HE2 H 1 7.28 0.02 . 1 . . . . . . . . 6478 1 13 . 1 1 2 2 PHE C C 13 171.50 0.05 . 1 . . . . . . . . 6478 1 14 . 1 1 2 2 PHE CA C 13 54.89 0.05 . 1 . . . . . . . . 6478 1 15 . 1 1 2 2 PHE CB C 13 36.94 0.05 . 1 . . . . . . . . 6478 1 16 . 1 1 2 2 PHE N N 15 123.10 0.05 . 1 . . . . . . . . 6478 1 17 . 1 1 3 3 MET H H 1 8.39 0.02 . 1 . . . . . . . . 6478 1 18 . 1 1 3 3 MET HA H 1 4.60 0.02 . 1 . . . . . . . . 6478 1 19 . 1 1 3 3 MET HE1 H 1 2.04 0.02 . 1 . . . . . . . . 6478 1 20 . 1 1 3 3 MET HE2 H 1 2.04 0.02 . 1 . . . . . . . . 6478 1 21 . 1 1 3 3 MET HE3 H 1 2.04 0.02 . 1 . . . . . . . . 6478 1 22 . 1 1 3 3 MET CE C 13 16.76 0.05 . 1 . . . . . . . . 6478 1 23 . 1 1 3 3 MET N N 15 122.01 0.05 . 1 . . . . . . . . 6478 1 24 . 1 1 4 4 LYS H H 1 8.20 0.02 . 1 . . . . . . . . 6478 1 25 . 1 1 4 4 LYS HA H 1 4.49 0.02 . 1 . . . . . . . . 6478 1 26 . 1 1 4 4 LYS N N 15 122.13 0.05 . 1 . . . . . . . . 6478 1 27 . 1 1 5 5 SER H H 1 8.52 0.02 . 1 . . . . . . . . 6478 1 28 . 1 1 5 5 SER HA H 1 4.28 0.02 . 1 . . . . . . . . 6478 1 29 . 1 1 5 5 SER HB2 H 1 3.79 0.02 . 2 . . . . . . . . 6478 1 30 . 1 1 5 5 SER HB3 H 1 3.76 0.02 . 2 . . . . . . . . 6478 1 31 . 1 1 5 5 SER CA C 13 55.85 0.05 . 1 . . . . . . . . 6478 1 32 . 1 1 5 5 SER CB C 13 61.04 0.05 . 1 . . . . . . . . 6478 1 33 . 1 1 5 5 SER N N 15 117.73 0.05 . 1 . . . . . . . . 6478 1 34 . 1 1 6 6 THR H H 1 8.20 0.02 . 1 . . . . . . . . 6478 1 35 . 1 1 6 6 THR HA H 1 4.38 0.02 . 1 . . . . . . . . 6478 1 36 . 1 1 6 6 THR HB H 1 4.23 0.02 . 1 . . . . . . . . 6478 1 37 . 1 1 6 6 THR HG21 H 1 1.22 0.02 . 1 . . . . . . . . 6478 1 38 . 1 1 6 6 THR HG22 H 1 1.22 0.02 . 1 . . . . . . . . 6478 1 39 . 1 1 6 6 THR HG23 H 1 1.22 0.02 . 1 . . . . . . . . 6478 1 40 . 1 1 6 6 THR C C 13 172.91 0.05 . 1 . . . . . . . . 6478 1 41 . 1 1 6 6 THR CA C 13 59.63 0.05 . 1 . . . . . . . . 6478 1 42 . 1 1 6 6 THR CB C 13 67.64 0.05 . 1 . . . . . . . . 6478 1 43 . 1 1 6 6 THR CG2 C 13 19.08 0.05 . 1 . . . . . . . . 6478 1 44 . 1 1 6 6 THR N N 15 115.39 0.05 . 1 . . . . . . . . 6478 1 45 . 1 1 7 7 GLY H H 1 8.76 0.02 . 1 . . . . . . . . 6478 1 46 . 1 1 7 7 GLY HA2 H 1 4.00 0.02 . 2 . . . . . . . . 6478 1 47 . 1 1 7 7 GLY HA3 H 1 3.85 0.02 . 2 . . . . . . . . 6478 1 48 . 1 1 7 7 GLY CA C 13 42.61 0.05 . 1 . . . . . . . . 6478 1 49 . 1 1 7 7 GLY N N 15 111.39 0.05 . 1 . . . . . . . . 6478 1 50 . 1 1 8 8 ILE H H 1 8.40 0.02 . 1 . . . . . . . . 6478 1 51 . 1 1 8 8 ILE HA H 1 4.11 0.02 . 1 . . . . . . . . 6478 1 52 . 1 1 8 8 ILE HB H 1 1.87 0.02 . 1 . . . . . . . . 6478 1 53 . 1 1 8 8 ILE HG12 H 1 1.54 0.02 . 2 . . . . . . . . 6478 1 54 . 1 1 8 8 ILE HG13 H 1 1.08 0.02 . 2 . . . . . . . . 6478 1 55 . 1 1 8 8 ILE HG21 H 1 0.84 0.02 . 1 . . . . . . . . 6478 1 56 . 1 1 8 8 ILE HG22 H 1 0.84 0.02 . 1 . . . . . . . . 6478 1 57 . 1 1 8 8 ILE HG23 H 1 0.84 0.02 . 1 . . . . . . . . 6478 1 58 . 1 1 8 8 ILE HD11 H 1 0.84 0.02 . 1 . . . . . . . . 6478 1 59 . 1 1 8 8 ILE HD12 H 1 0.84 0.02 . 1 . . . . . . . . 6478 1 60 . 1 1 8 8 ILE HD13 H 1 0.84 0.02 . 1 . . . . . . . . 6478 1 61 . 1 1 8 8 ILE C C 13 171.89 0.05 . 1 . . . . . . . . 6478 1 62 . 1 1 8 8 ILE CA C 13 58.55 0.05 . 1 . . . . . . . . 6478 1 63 . 1 1 8 8 ILE CB C 13 36.31 0.05 . 1 . . . . . . . . 6478 1 64 . 1 1 8 8 ILE CG1 C 13 24.60 0.05 . 1 . . . . . . . . 6478 1 65 . 1 1 8 8 ILE CG2 C 13 15.70 0.05 . 1 . . . . . . . . 6478 1 66 . 1 1 8 8 ILE CD1 C 13 10.80 0.05 . 1 . . . . . . . . 6478 1 67 . 1 1 8 8 ILE N N 15 122.41 0.05 . 1 . . . . . . . . 6478 1 68 . 1 1 9 9 VAL H H 1 8.16 0.02 . 1 . . . . . . . . 6478 1 69 . 1 1 9 9 VAL HA H 1 4.98 0.02 . 1 . . . . . . . . 6478 1 70 . 1 1 9 9 VAL HB H 1 1.61 0.02 . 1 . . . . . . . . 6478 1 71 . 1 1 9 9 VAL HG11 H 1 0.44 0.02 . 1 . . . . . . . . 6478 1 72 . 1 1 9 9 VAL HG12 H 1 0.44 0.02 . 1 . . . . . . . . 6478 1 73 . 1 1 9 9 VAL HG13 H 1 0.44 0.02 . 1 . . . . . . . . 6478 1 74 . 1 1 9 9 VAL HG21 H 1 0.32 0.02 . 1 . . . . . . . . 6478 1 75 . 1 1 9 9 VAL HG22 H 1 0.32 0.02 . 1 . . . . . . . . 6478 1 76 . 1 1 9 9 VAL HG23 H 1 0.32 0.02 . 1 . . . . . . . . 6478 1 77 . 1 1 9 9 VAL C C 13 174.62 0.05 . 1 . . . . . . . . 6478 1 78 . 1 1 9 9 VAL CA C 13 58.21 0.05 . 1 . . . . . . . . 6478 1 79 . 1 1 9 9 VAL CB C 13 30.85 0.05 . 1 . . . . . . . . 6478 1 80 . 1 1 9 9 VAL CG1 C 13 18.86 0.05 . 1 . . . . . . . . 6478 1 81 . 1 1 9 9 VAL CG2 C 13 18.17 0.05 . 1 . . . . . . . . 6478 1 82 . 1 1 9 9 VAL N N 15 126.51 0.05 . 1 . . . . . . . . 6478 1 83 . 1 1 10 10 ARG H H 1 9.11 0.02 . 1 . . . . . . . . 6478 1 84 . 1 1 10 10 ARG HA H 1 4.81 0.02 . 1 . . . . . . . . 6478 1 85 . 1 1 10 10 ARG HB2 H 1 2.02 0.02 . 1 . . . . . . . . 6478 1 86 . 1 1 10 10 ARG HB3 H 1 1.54 0.02 . 1 . . . . . . . . 6478 1 87 . 1 1 10 10 ARG HG2 H 1 1.79 0.02 . 2 . . . . . . . . 6478 1 88 . 1 1 10 10 ARG HG3 H 1 1.38 0.02 . 2 . . . . . . . . 6478 1 89 . 1 1 10 10 ARG HD2 H 1 3.55 0.02 . 2 . . . . . . . . 6478 1 90 . 1 1 10 10 ARG HD3 H 1 3.24 0.02 . 2 . . . . . . . . 6478 1 91 . 1 1 10 10 ARG HE H 1 7.24 0.02 . 1 . . . . . . . . 6478 1 92 . 1 1 10 10 ARG C C 13 175.11 0.05 . 1 . . . . . . . . 6478 1 93 . 1 1 10 10 ARG CA C 13 50.34 0.05 . 1 . . . . . . . . 6478 1 94 . 1 1 10 10 ARG CB C 13 32.23 0.05 . 1 . . . . . . . . 6478 1 95 . 1 1 10 10 ARG CG C 13 24.11 0.05 . 1 . . . . . . . . 6478 1 96 . 1 1 10 10 ARG CD C 13 40.67 0.05 . 1 . . . . . . . . 6478 1 97 . 1 1 10 10 ARG N N 15 127.25 0.05 . 1 . . . . . . . . 6478 1 98 . 1 1 10 10 ARG NE N 15 109.82 0.05 . 1 . . . . . . . . 6478 1 99 . 1 1 11 11 LYS H H 1 8.50 0.02 . 1 . . . . . . . . 6478 1 100 . 1 1 11 11 LYS HA H 1 4.95 0.02 . 1 . . . . . . . . 6478 1 101 . 1 1 11 11 LYS HB2 H 1 1.66 0.02 . 2 . . . . . . . . 6478 1 102 . 1 1 11 11 LYS HB3 H 1 1.61 0.02 . 2 . . . . . . . . 6478 1 103 . 1 1 11 11 LYS HG2 H 1 1.26 0.02 . 1 . . . . . . . . 6478 1 104 . 1 1 11 11 LYS HG3 H 1 1.26 0.02 . 1 . . . . . . . . 6478 1 105 . 1 1 11 11 LYS HD2 H 1 1.74 0.02 . 1 . . . . . . . . 6478 1 106 . 1 1 11 11 LYS HD3 H 1 1.74 0.02 . 1 . . . . . . . . 6478 1 107 . 1 1 11 11 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 6478 1 108 . 1 1 11 11 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 6478 1 109 . 1 1 11 11 LYS C C 13 174.01 0.05 . 1 . . . . . . . . 6478 1 110 . 1 1 11 11 LYS CA C 13 52.58 0.05 . 1 . . . . . . . . 6478 1 111 . 1 1 11 11 LYS CB C 13 31.74 0.05 . 1 . . . . . . . . 6478 1 112 . 1 1 11 11 LYS CG C 13 22.93 0.05 . 1 . . . . . . . . 6478 1 113 . 1 1 11 11 LYS CD C 13 26.54 0.05 . 1 . . . . . . . . 6478 1 114 . 1 1 11 11 LYS CE C 13 39.5 0.05 . 1 . . . . . . . . 6478 1 115 . 1 1 11 11 LYS N N 15 119.71 0.05 . 1 . . . . . . . . 6478 1 116 . 1 1 12 12 VAL H H 1 8.30 0.02 . 1 . . . . . . . . 6478 1 117 . 1 1 12 12 VAL HA H 1 4.29 0.02 . 1 . . . . . . . . 6478 1 118 . 1 1 12 12 VAL HB H 1 1.91 0.02 . 1 . . . . . . . . 6478 1 119 . 1 1 12 12 VAL HG11 H 1 0.88 0.02 . 1 . . . . . . . . 6478 1 120 . 1 1 12 12 VAL HG12 H 1 0.88 0.02 . 1 . . . . . . . . 6478 1 121 . 1 1 12 12 VAL HG13 H 1 0.88 0.02 . 1 . . . . . . . . 6478 1 122 . 1 1 12 12 VAL HG21 H 1 0.79 0.02 . 1 . . . . . . . . 6478 1 123 . 1 1 12 12 VAL HG22 H 1 0.79 0.02 . 1 . . . . . . . . 6478 1 124 . 1 1 12 12 VAL HG23 H 1 0.79 0.02 . 1 . . . . . . . . 6478 1 125 . 1 1 12 12 VAL C C 13 174.24 0.05 . 1 . . . . . . . . 6478 1 126 . 1 1 12 12 VAL CA C 13 58.81 0.05 . 1 . . . . . . . . 6478 1 127 . 1 1 12 12 VAL CB C 13 29.83 0.05 . 1 . . . . . . . . 6478 1 128 . 1 1 12 12 VAL CG1 C 13 18.74 0.05 . 1 . . . . . . . . 6478 1 129 . 1 1 12 12 VAL CG2 C 13 18.92 0.05 . 1 . . . . . . . . 6478 1 130 . 1 1 12 12 VAL N N 15 121.71 0.05 . 1 . . . . . . . . 6478 1 131 . 1 1 13 13 ASP H H 1 8.55 0.02 . 1 . . . . . . . . 6478 1 132 . 1 1 13 13 ASP HA H 1 4.78 0.02 . 1 . . . . . . . . 6478 1 133 . 1 1 13 13 ASP HB2 H 1 3.38 0.02 . 1 . . . . . . . . 6478 1 134 . 1 1 13 13 ASP HB3 H 1 2.78 0.02 . 1 . . . . . . . . 6478 1 135 . 1 1 13 13 ASP C C 13 171.96 0.05 . 1 . . . . . . . . 6478 1 136 . 1 1 13 13 ASP CA C 13 50.12 0.05 . 1 . . . . . . . . 6478 1 137 . 1 1 13 13 ASP CB C 13 38.49 0.05 . 1 . . . . . . . . 6478 1 138 . 1 1 13 13 ASP N N 15 127.48 0.05 . 1 . . . . . . . . 6478 1 139 . 1 1 14 14 GLU H H 1 9.39 0.02 . 1 . . . . . . . . 6478 1 140 . 1 1 14 14 GLU HA H 1 4.07 0.02 . 1 . . . . . . . . 6478 1 141 . 1 1 14 14 GLU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 6478 1 142 . 1 1 14 14 GLU HB3 H 1 2.05 0.02 . 2 . . . . . . . . 6478 1 143 . 1 1 14 14 GLU HG2 H 1 2.36 0.02 . 2 . . . . . . . . 6478 1 144 . 1 1 14 14 GLU HG3 H 1 2.27 0.02 . 2 . . . . . . . . 6478 1 145 . 1 1 14 14 GLU C C 13 174.44 0.05 . 1 . . . . . . . . 6478 1 146 . 1 1 14 14 GLU CA C 13 56.42 0.05 . 1 . . . . . . . . 6478 1 147 . 1 1 14 14 GLU CB C 13 25.92 0.05 . 1 . . . . . . . . 6478 1 148 . 1 1 14 14 GLU CG C 13 33.27 0.05 . 1 . . . . . . . . 6478 1 149 . 1 1 14 14 GLU N N 15 116.33 0.05 . 1 . . . . . . . . 6478 1 150 . 1 1 15 15 LEU H H 1 8.25 0.02 . 1 . . . . . . . . 6478 1 151 . 1 1 15 15 LEU HA H 1 4.50 0.02 . 1 . . . . . . . . 6478 1 152 . 1 1 15 15 LEU HB2 H 1 1.75 0.02 . 1 . . . . . . . . 6478 1 153 . 1 1 15 15 LEU HB3 H 1 1.53 0.02 . 1 . . . . . . . . 6478 1 154 . 1 1 15 15 LEU HG H 1 1.55 0.02 . 1 . . . . . . . . 6478 1 155 . 1 1 15 15 LEU HD11 H 1 0.81 0.02 . 2 . . . . . . . . 6478 1 156 . 1 1 15 15 LEU HD12 H 1 0.81 0.02 . 2 . . . . . . . . 6478 1 157 . 1 1 15 15 LEU HD13 H 1 0.81 0.02 . 2 . . . . . . . . 6478 1 158 . 1 1 15 15 LEU HD21 H 1 0.83 0.02 . 2 . . . . . . . . 6478 1 159 . 1 1 15 15 LEU HD22 H 1 0.83 0.02 . 2 . . . . . . . . 6478 1 160 . 1 1 15 15 LEU HD23 H 1 0.83 0.02 . 2 . . . . . . . . 6478 1 161 . 1 1 15 15 LEU C C 13 174.04 0.05 . 1 . . . . . . . . 6478 1 162 . 1 1 15 15 LEU CA C 13 51.48 0.05 . 1 . . . . . . . . 6478 1 163 . 1 1 15 15 LEU CB C 13 39.74 0.05 . 1 . . . . . . . . 6478 1 164 . 1 1 15 15 LEU CG C 13 24.64 0.05 . 1 . . . . . . . . 6478 1 165 . 1 1 15 15 LEU CD1 C 13 20.50 0.05 . 2 . . . . . . . . 6478 1 166 . 1 1 15 15 LEU CD2 C 13 22.13 0.05 . 2 . . . . . . . . 6478 1 167 . 1 1 15 15 LEU N N 15 121.97 0.05 . 1 . . . . . . . . 6478 1 168 . 1 1 16 16 GLY H H 1 8.11 0.02 . 1 . . . . . . . . 6478 1 169 . 1 1 16 16 GLY HA2 H 1 3.24 0.02 . 1 . . . . . . . . 6478 1 170 . 1 1 16 16 GLY HA3 H 1 4.12 0.02 . 1 . . . . . . . . 6478 1 171 . 1 1 16 16 GLY CA C 13 43.21 0.05 . 1 . . . . . . . . 6478 1 172 . 1 1 16 16 GLY N N 15 107.85 0.05 . 1 . . . . . . . . 6478 1 173 . 1 1 17 17 ARG H H 1 8.40 0.02 . 1 . . . . . . . . 6478 1 174 . 1 1 17 17 ARG HA H 1 5.20 0.02 . 1 . . . . . . . . 6478 1 175 . 1 1 17 17 ARG HB2 H 1 1.23 0.02 . 1 . . . . . . . . 6478 1 176 . 1 1 17 17 ARG HB3 H 1 2.16 0.02 . 1 . . . . . . . . 6478 1 177 . 1 1 17 17 ARG HG2 H 1 1.64 0.02 . 2 . . . . . . . . 6478 1 178 . 1 1 17 17 ARG HG3 H 1 1.38 0.02 . 2 . . . . . . . . 6478 1 179 . 1 1 17 17 ARG HD2 H 1 3.25 0.02 . 2 . . . . . . . . 6478 1 180 . 1 1 17 17 ARG HD3 H 1 2.65 0.02 . 2 . . . . . . . . 6478 1 181 . 1 1 17 17 ARG HE H 1 8.92 0.02 . 1 . . . . . . . . 6478 1 182 . 1 1 17 17 ARG C C 13 174.19 0.05 . 1 . . . . . . . . 6478 1 183 . 1 1 17 17 ARG CA C 13 52.10 0.05 . 1 . . . . . . . . 6478 1 184 . 1 1 17 17 ARG CB C 13 29.29 0.05 . 1 . . . . . . . . 6478 1 185 . 1 1 17 17 ARG CG C 13 24.17 0.05 . 1 . . . . . . . . 6478 1 186 . 1 1 17 17 ARG CD C 13 40.54 0.05 . 1 . . . . . . . . 6478 1 187 . 1 1 17 17 ARG N N 15 117.69 0.05 . 1 . . . . . . . . 6478 1 188 . 1 1 17 17 ARG NE N 15 109.76 0.05 . 1 . . . . . . . . 6478 1 189 . 1 1 18 18 VAL H H 1 8.31 0.02 . 1 . . . . . . . . 6478 1 190 . 1 1 18 18 VAL HA H 1 4.56 0.02 . 1 . . . . . . . . 6478 1 191 . 1 1 18 18 VAL HB H 1 1.64 0.02 . 1 . . . . . . . . 6478 1 192 . 1 1 18 18 VAL HG11 H 1 0.69 0.02 . 1 . . . . . . . . 6478 1 193 . 1 1 18 18 VAL HG12 H 1 0.69 0.02 . 1 . . . . . . . . 6478 1 194 . 1 1 18 18 VAL HG13 H 1 0.69 0.02 . 1 . . . . . . . . 6478 1 195 . 1 1 18 18 VAL HG21 H 1 0.76 0.02 . 1 . . . . . . . . 6478 1 196 . 1 1 18 18 VAL HG22 H 1 0.76 0.02 . 1 . . . . . . . . 6478 1 197 . 1 1 18 18 VAL HG23 H 1 0.76 0.02 . 1 . . . . . . . . 6478 1 198 . 1 1 18 18 VAL C C 13 170.53 0.05 . 1 . . . . . . . . 6478 1 199 . 1 1 18 18 VAL CA C 13 56.41 0.05 . 1 . . . . . . . . 6478 1 200 . 1 1 18 18 VAL CB C 13 33.41 0.05 . 1 . . . . . . . . 6478 1 201 . 1 1 18 18 VAL CG1 C 13 17.27 0.05 . 1 . . . . . . . . 6478 1 202 . 1 1 18 18 VAL CG2 C 13 18.60 0.05 . 1 . . . . . . . . 6478 1 203 . 1 1 18 18 VAL N N 15 118.28 0.05 . 1 . . . . . . . . 6478 1 204 . 1 1 19 19 VAL H H 1 8.11 0.02 . 1 . . . . . . . . 6478 1 205 . 1 1 19 19 VAL HA H 1 3.76 0.02 . 1 . . . . . . . . 6478 1 206 . 1 1 19 19 VAL HB H 1 1.84 0.02 . 1 . . . . . . . . 6478 1 207 . 1 1 19 19 VAL HG11 H 1 0.79 0.02 . 1 . . . . . . . . 6478 1 208 . 1 1 19 19 VAL HG12 H 1 0.79 0.02 . 1 . . . . . . . . 6478 1 209 . 1 1 19 19 VAL HG13 H 1 0.79 0.02 . 1 . . . . . . . . 6478 1 210 . 1 1 19 19 VAL HG21 H 1 0.92 0.02 . 1 . . . . . . . . 6478 1 211 . 1 1 19 19 VAL HG22 H 1 0.92 0.02 . 1 . . . . . . . . 6478 1 212 . 1 1 19 19 VAL HG23 H 1 0.92 0.02 . 1 . . . . . . . . 6478 1 213 . 1 1 19 19 VAL C C 13 172.30 0.05 . 1 . . . . . . . . 6478 1 214 . 1 1 19 19 VAL CA C 13 59.41 0.05 . 1 . . . . . . . . 6478 1 215 . 1 1 19 19 VAL CB C 13 30.32 0.05 . 1 . . . . . . . . 6478 1 216 . 1 1 19 19 VAL CG1 C 13 18.56 0.05 . 1 . . . . . . . . 6478 1 217 . 1 1 19 19 VAL CG2 C 13 19.11 0.05 . 1 . . . . . . . . 6478 1 218 . 1 1 19 19 VAL N N 15 125.81 0.05 . 1 . . . . . . . . 6478 1 219 . 1 1 20 20 ILE H H 1 8.51 0.02 . 1 . . . . . . . . 6478 1 220 . 1 1 20 20 ILE HA H 1 4.27 0.02 . 1 . . . . . . . . 6478 1 221 . 1 1 20 20 ILE HB H 1 1.89 0.02 . 1 . . . . . . . . 6478 1 222 . 1 1 20 20 ILE HG12 H 1 1.43 0.02 . 2 . . . . . . . . 6478 1 223 . 1 1 20 20 ILE HG13 H 1 1.21 0.02 . 2 . . . . . . . . 6478 1 224 . 1 1 20 20 ILE HG21 H 1 0.79 0.02 . 1 . . . . . . . . 6478 1 225 . 1 1 20 20 ILE HG22 H 1 0.79 0.02 . 1 . . . . . . . . 6478 1 226 . 1 1 20 20 ILE HG23 H 1 0.79 0.02 . 1 . . . . . . . . 6478 1 227 . 1 1 20 20 ILE HD11 H 1 0.58 0.02 . 1 . . . . . . . . 6478 1 228 . 1 1 20 20 ILE HD12 H 1 0.58 0.02 . 1 . . . . . . . . 6478 1 229 . 1 1 20 20 ILE HD13 H 1 0.58 0.02 . 1 . . . . . . . . 6478 1 230 . 1 1 20 20 ILE C C 13 171.66 0.05 . 1 . . . . . . . . 6478 1 231 . 1 1 20 20 ILE CA C 13 54.38 0.05 . 1 . . . . . . . . 6478 1 232 . 1 1 20 20 ILE CB C 13 34.32 0.05 . 1 . . . . . . . . 6478 1 233 . 1 1 20 20 ILE CG1 C 13 24.05 0.05 . 1 . . . . . . . . 6478 1 234 . 1 1 20 20 ILE CG2 C 13 15.67 0.05 . 1 . . . . . . . . 6478 1 235 . 1 1 20 20 ILE CD1 C 13 8.80 0.05 . 1 . . . . . . . . 6478 1 236 . 1 1 20 20 ILE N N 15 127.26 0.05 . 1 . . . . . . . . 6478 1 237 . 1 1 21 21 PRO HA H 1 4.48 0.02 . 1 . . . . . . . . 6478 1 238 . 1 1 21 21 PRO HB2 H 1 1.87 0.02 . 1 . . . . . . . . 6478 1 239 . 1 1 21 21 PRO HB3 H 1 2.68 0.02 . 1 . . . . . . . . 6478 1 240 . 1 1 21 21 PRO HG2 H 1 2.01 0.02 . 2 . . . . . . . . 6478 1 241 . 1 1 21 21 PRO HG3 H 1 1.94 0.02 . 2 . . . . . . . . 6478 1 242 . 1 1 21 21 PRO HD2 H 1 4.33 0.02 . 2 . . . . . . . . 6478 1 243 . 1 1 21 21 PRO HD3 H 1 3.39 0.02 . 2 . . . . . . . . 6478 1 244 . 1 1 21 21 PRO C C 13 175.51 0.05 . 1 . . . . . . . . 6478 1 245 . 1 1 21 21 PRO CA C 13 61.10 0.05 . 1 . . . . . . . . 6478 1 246 . 1 1 21 21 PRO CB C 13 30.41 0.05 . 1 . . . . . . . . 6478 1 247 . 1 1 21 21 PRO CG C 13 25.34 0.05 . 1 . . . . . . . . 6478 1 248 . 1 1 21 21 PRO CD C 13 48.34 0.05 . 1 . . . . . . . . 6478 1 249 . 1 1 22 22 ILE H H 1 8.94 0.02 . 1 . . . . . . . . 6478 1 250 . 1 1 22 22 ILE HA H 1 3.89 0.02 . 1 . . . . . . . . 6478 1 251 . 1 1 22 22 ILE HB H 1 1.90 0.02 . 1 . . . . . . . . 6478 1 252 . 1 1 22 22 ILE HG12 H 1 1.34 0.02 . 2 . . . . . . . . 6478 1 253 . 1 1 22 22 ILE HG13 H 1 1.31 0.02 . 2 . . . . . . . . 6478 1 254 . 1 1 22 22 ILE HG21 H 1 0.98 0.02 . 1 . . . . . . . . 6478 1 255 . 1 1 22 22 ILE HG22 H 1 0.98 0.02 . 1 . . . . . . . . 6478 1 256 . 1 1 22 22 ILE HG23 H 1 0.98 0.02 . 1 . . . . . . . . 6478 1 257 . 1 1 22 22 ILE HD11 H 1 0.93 0.02 . 1 . . . . . . . . 6478 1 258 . 1 1 22 22 ILE HD12 H 1 0.93 0.02 . 1 . . . . . . . . 6478 1 259 . 1 1 22 22 ILE HD13 H 1 0.93 0.02 . 1 . . . . . . . . 6478 1 260 . 1 1 22 22 ILE C C 13 173.22 0.05 . 1 . . . . . . . . 6478 1 261 . 1 1 22 22 ILE CA C 13 61.23 0.05 . 1 . . . . . . . . 6478 1 262 . 1 1 22 22 ILE CB C 13 35.85 0.05 . 1 . . . . . . . . 6478 1 263 . 1 1 22 22 ILE CG1 C 13 26.97 0.05 . 1 . . . . . . . . 6478 1 264 . 1 1 22 22 ILE CG2 C 13 14.90 0.05 . 1 . . . . . . . . 6478 1 265 . 1 1 22 22 ILE CD1 C 13 11.27 0.05 . 1 . . . . . . . . 6478 1 266 . 1 1 22 22 ILE N N 15 127.35 0.05 . 1 . . . . . . . . 6478 1 267 . 1 1 23 23 GLU H H 1 9.77 0.02 . 1 . . . . . . . . 6478 1 268 . 1 1 23 23 GLU HA H 1 4.01 0.02 . 1 . . . . . . . . 6478 1 269 . 1 1 23 23 GLU HB2 H 1 1.98 0.02 . 1 . . . . . . . . 6478 1 270 . 1 1 23 23 GLU HB3 H 1 1.98 0.02 . 1 . . . . . . . . 6478 1 271 . 1 1 23 23 GLU HG2 H 1 2.37 0.02 . 2 . . . . . . . . 6478 1 272 . 1 1 23 23 GLU HG3 H 1 2.28 0.02 . 2 . . . . . . . . 6478 1 273 . 1 1 23 23 GLU C C 13 176.57 0.05 . 1 . . . . . . . . 6478 1 274 . 1 1 23 23 GLU CA C 13 57.56 0.05 . 1 . . . . . . . . 6478 1 275 . 1 1 23 23 GLU CB C 13 25.53 0.05 . 1 . . . . . . . . 6478 1 276 . 1 1 23 23 GLU CG C 13 33.47 0.05 . 1 . . . . . . . . 6478 1 277 . 1 1 23 23 GLU N N 15 121.64 0.05 . 1 . . . . . . . . 6478 1 278 . 1 1 24 24 LEU H H 1 7.15 0.02 . 1 . . . . . . . . 6478 1 279 . 1 1 24 24 LEU HA H 1 4.20 0.02 . 1 . . . . . . . . 6478 1 280 . 1 1 24 24 LEU HB2 H 1 1.72 0.02 . 1 . . . . . . . . 6478 1 281 . 1 1 24 24 LEU HB3 H 1 1.35 0.02 . 1 . . . . . . . . 6478 1 282 . 1 1 24 24 LEU HG H 1 1.63 0.02 . 1 . . . . . . . . 6478 1 283 . 1 1 24 24 LEU HD11 H 1 0.83 0.02 . 2 . . . . . . . . 6478 1 284 . 1 1 24 24 LEU HD12 H 1 0.83 0.02 . 2 . . . . . . . . 6478 1 285 . 1 1 24 24 LEU HD13 H 1 0.83 0.02 . 2 . . . . . . . . 6478 1 286 . 1 1 24 24 LEU HD21 H 1 0.85 0.02 . 2 . . . . . . . . 6478 1 287 . 1 1 24 24 LEU HD22 H 1 0.85 0.02 . 2 . . . . . . . . 6478 1 288 . 1 1 24 24 LEU HD23 H 1 0.85 0.02 . 2 . . . . . . . . 6478 1 289 . 1 1 24 24 LEU C C 13 175.98 0.05 . 1 . . . . . . . . 6478 1 290 . 1 1 24 24 LEU CA C 13 54.38 0.05 . 1 . . . . . . . . 6478 1 291 . 1 1 24 24 LEU CB C 13 38.61 0.05 . 1 . . . . . . . . 6478 1 292 . 1 1 24 24 LEU CG C 13 25.06 0.05 . 1 . . . . . . . . 6478 1 293 . 1 1 24 24 LEU CD1 C 13 20.58 0.05 . 2 . . . . . . . . 6478 1 294 . 1 1 24 24 LEU CD2 C 13 23.04 0.05 . 2 . . . . . . . . 6478 1 295 . 1 1 24 24 LEU N N 15 117.35 0.05 . 1 . . . . . . . . 6478 1 296 . 1 1 25 25 ARG H H 1 7.56 0.02 . 1 . . . . . . . . 6478 1 297 . 1 1 25 25 ARG HA H 1 3.74 0.02 . 1 . . . . . . . . 6478 1 298 . 1 1 25 25 ARG HB2 H 1 2.21 0.02 . 1 . . . . . . . . 6478 1 299 . 1 1 25 25 ARG HB3 H 1 1.99 0.02 . 1 . . . . . . . . 6478 1 300 . 1 1 25 25 ARG HG2 H 1 1.62 0.02 . 2 . . . . . . . . 6478 1 301 . 1 1 25 25 ARG HG3 H 1 1.19 0.02 . 2 . . . . . . . . 6478 1 302 . 1 1 25 25 ARG HD2 H 1 3.25 0.02 . 2 . . . . . . . . 6478 1 303 . 1 1 25 25 ARG HD3 H 1 3.12 0.02 . 2 . . . . . . . . 6478 1 304 . 1 1 25 25 ARG HE H 1 6.99 0.02 . 1 . . . . . . . . 6478 1 305 . 1 1 25 25 ARG C C 13 176.08 0.05 . 1 . . . . . . . . 6478 1 306 . 1 1 25 25 ARG CA C 13 58.60 0.05 . 1 . . . . . . . . 6478 1 307 . 1 1 25 25 ARG CB C 13 26.63 0.05 . 1 . . . . . . . . 6478 1 308 . 1 1 25 25 ARG CG C 13 27.69 0.05 . 1 . . . . . . . . 6478 1 309 . 1 1 25 25 ARG CD C 13 41.04 0.05 . 1 . . . . . . . . 6478 1 310 . 1 1 25 25 ARG N N 15 117.66 0.05 . 1 . . . . . . . . 6478 1 311 . 1 1 25 25 ARG NE N 15 107.16 0.05 . 1 . . . . . . . . 6478 1 312 . 1 1 26 26 ARG H H 1 8.72 0.02 . 1 . . . . . . . . 6478 1 313 . 1 1 26 26 ARG HA H 1 4.13 0.02 . 1 . . . . . . . . 6478 1 314 . 1 1 26 26 ARG HB2 H 1 1.87 0.02 . 1 . . . . . . . . 6478 1 315 . 1 1 26 26 ARG HB3 H 1 1.87 0.02 . 1 . . . . . . . . 6478 1 316 . 1 1 26 26 ARG HG2 H 1 1.76 0.02 . 2 . . . . . . . . 6478 1 317 . 1 1 26 26 ARG HG3 H 1 1.65 0.02 . 2 . . . . . . . . 6478 1 318 . 1 1 26 26 ARG HD2 H 1 3.16 0.02 . 1 . . . . . . . . 6478 1 319 . 1 1 26 26 ARG HD3 H 1 3.16 0.02 . 1 . . . . . . . . 6478 1 320 . 1 1 26 26 ARG HE H 1 7.15 0.02 . 1 . . . . . . . . 6478 1 321 . 1 1 26 26 ARG C C 13 177.31 0.05 . 1 . . . . . . . . 6478 1 322 . 1 1 26 26 ARG CA C 13 56.60 0.05 . 1 . . . . . . . . 6478 1 323 . 1 1 26 26 ARG CB C 13 27.40 0.05 . 1 . . . . . . . . 6478 1 324 . 1 1 26 26 ARG CG C 13 24.95 0.05 . 1 . . . . . . . . 6478 1 325 . 1 1 26 26 ARG CD C 13 40.93 0.05 . 1 . . . . . . . . 6478 1 326 . 1 1 26 26 ARG N N 15 117.94 0.05 . 1 . . . . . . . . 6478 1 327 . 1 1 26 26 ARG NE N 15 109.79 0.05 . 1 . . . . . . . . 6478 1 328 . 1 1 27 27 THR H H 1 7.60 0.02 . 1 . . . . . . . . 6478 1 329 . 1 1 27 27 THR HA H 1 4.00 0.02 . 1 . . . . . . . . 6478 1 330 . 1 1 27 27 THR HB H 1 4.25 0.02 . 1 . . . . . . . . 6478 1 331 . 1 1 27 27 THR HG21 H 1 1.30 0.02 . 1 . . . . . . . . 6478 1 332 . 1 1 27 27 THR HG22 H 1 1.30 0.02 . 1 . . . . . . . . 6478 1 333 . 1 1 27 27 THR HG23 H 1 1.30 0.02 . 1 . . . . . . . . 6478 1 334 . 1 1 27 27 THR C C 13 172.80 0.05 . 1 . . . . . . . . 6478 1 335 . 1 1 27 27 THR CA C 13 63.74 0.05 . 1 . . . . . . . . 6478 1 336 . 1 1 27 27 THR CB C 13 66.43 0.05 . 1 . . . . . . . . 6478 1 337 . 1 1 27 27 THR CG2 C 13 19.01 0.05 . 1 . . . . . . . . 6478 1 338 . 1 1 27 27 THR N N 15 115.61 0.05 . 1 . . . . . . . . 6478 1 339 . 1 1 28 28 LEU H H 1 7.36 0.02 . 1 . . . . . . . . 6478 1 340 . 1 1 28 28 LEU HA H 1 4.42 0.02 . 1 . . . . . . . . 6478 1 341 . 1 1 28 28 LEU HB2 H 1 1.66 0.02 . 2 . . . . . . . . 6478 1 342 . 1 1 28 28 LEU HB3 H 1 1.57 0.02 . 2 . . . . . . . . 6478 1 343 . 1 1 28 28 LEU HG H 1 1.67 0.02 . 1 . . . . . . . . 6478 1 344 . 1 1 28 28 LEU HD11 H 1 0.75 0.02 . 2 . . . . . . . . 6478 1 345 . 1 1 28 28 LEU HD12 H 1 0.75 0.02 . 2 . . . . . . . . 6478 1 346 . 1 1 28 28 LEU HD13 H 1 0.75 0.02 . 2 . . . . . . . . 6478 1 347 . 1 1 28 28 LEU HD21 H 1 0.83 0.02 . 2 . . . . . . . . 6478 1 348 . 1 1 28 28 LEU HD22 H 1 0.83 0.02 . 2 . . . . . . . . 6478 1 349 . 1 1 28 28 LEU HD23 H 1 0.83 0.02 . 2 . . . . . . . . 6478 1 350 . 1 1 28 28 LEU C C 13 174.30 0.05 . 1 . . . . . . . . 6478 1 351 . 1 1 28 28 LEU CA C 13 52.15 0.05 . 1 . . . . . . . . 6478 1 352 . 1 1 28 28 LEU CB C 13 40.41 0.05 . 1 . . . . . . . . 6478 1 353 . 1 1 28 28 LEU CG C 13 25.21 0.05 . 1 . . . . . . . . 6478 1 354 . 1 1 28 28 LEU CD1 C 13 23.03 0.05 . 2 . . . . . . . . 6478 1 355 . 1 1 28 28 LEU CD2 C 13 20.56 0.05 . 2 . . . . . . . . 6478 1 356 . 1 1 28 28 LEU N N 15 118.48 0.05 . 1 . . . . . . . . 6478 1 357 . 1 1 29 29 GLY H H 1 7.71 0.02 . 1 . . . . . . . . 6478 1 358 . 1 1 29 29 GLY HA2 H 1 3.84 0.02 . 1 . . . . . . . . 6478 1 359 . 1 1 29 29 GLY HA3 H 1 3.91 0.02 . 1 . . . . . . . . 6478 1 360 . 1 1 29 29 GLY CA C 13 44.50 0.05 . 1 . . . . . . . . 6478 1 361 . 1 1 29 29 GLY N N 15 109.99 0.05 . 1 . . . . . . . . 6478 1 362 . 1 1 30 30 ILE H H 1 8.20 0.02 . 1 . . . . . . . . 6478 1 363 . 1 1 30 30 ILE HA H 1 4.22 0.02 . 1 . . . . . . . . 6478 1 364 . 1 1 30 30 ILE HB H 1 1.55 0.02 . 1 . . . . . . . . 6478 1 365 . 1 1 30 30 ILE HG12 H 1 1.55 0.02 . 2 . . . . . . . . 6478 1 366 . 1 1 30 30 ILE HG13 H 1 0.80 0.02 . 2 . . . . . . . . 6478 1 367 . 1 1 30 30 ILE HG21 H 1 0.82 0.02 . 1 . . . . . . . . 6478 1 368 . 1 1 30 30 ILE HG22 H 1 0.82 0.02 . 1 . . . . . . . . 6478 1 369 . 1 1 30 30 ILE HG23 H 1 0.82 0.02 . 1 . . . . . . . . 6478 1 370 . 1 1 30 30 ILE HD11 H 1 0.69 0.02 . 1 . . . . . . . . 6478 1 371 . 1 1 30 30 ILE HD12 H 1 0.69 0.02 . 1 . . . . . . . . 6478 1 372 . 1 1 30 30 ILE HD13 H 1 0.69 0.02 . 1 . . . . . . . . 6478 1 373 . 1 1 30 30 ILE C C 13 171.71 0.05 . 1 . . . . . . . . 6478 1 374 . 1 1 30 30 ILE CA C 13 58.08 0.05 . 1 . . . . . . . . 6478 1 375 . 1 1 30 30 ILE CB C 13 36.37 0.05 . 1 . . . . . . . . 6478 1 376 . 1 1 30 30 ILE CG1 C 13 24.49 0.05 . 1 . . . . . . . . 6478 1 377 . 1 1 30 30 ILE CG2 C 13 15.67 0.05 . 1 . . . . . . . . 6478 1 378 . 1 1 30 30 ILE CD1 C 13 11.47 0.05 . 1 . . . . . . . . 6478 1 379 . 1 1 30 30 ILE N N 15 119.89 0.05 . 1 . . . . . . . . 6478 1 380 . 1 1 31 31 ALA H H 1 9.48 0.02 . 1 . . . . . . . . 6478 1 381 . 1 1 31 31 ALA HA H 1 4.50 0.02 . 1 . . . . . . . . 6478 1 382 . 1 1 31 31 ALA HB1 H 1 1.40 0.02 . 1 . . . . . . . . 6478 1 383 . 1 1 31 31 ALA HB2 H 1 1.40 0.02 . 1 . . . . . . . . 6478 1 384 . 1 1 31 31 ALA HB3 H 1 1.40 0.02 . 1 . . . . . . . . 6478 1 385 . 1 1 31 31 ALA C C 13 174.42 0.05 . 1 . . . . . . . . 6478 1 386 . 1 1 31 31 ALA CA C 13 47.75 0.05 . 1 . . . . . . . . 6478 1 387 . 1 1 31 31 ALA CB C 13 18.72 0.05 . 1 . . . . . . . . 6478 1 388 . 1 1 31 31 ALA N N 15 109.56 0.05 . 1 . . . . . . . . 6478 1 389 . 1 1 32 32 GLU H H 1 8.59 0.02 . 1 . . . . . . . . 6478 1 390 . 1 1 32 32 GLU HA H 1 3.73 0.02 . 1 . . . . . . . . 6478 1 391 . 1 1 32 32 GLU HB2 H 1 1.99 0.02 . 1 . . . . . . . . 6478 1 392 . 1 1 32 32 GLU HB3 H 1 1.90 0.02 . 1 . . . . . . . . 6478 1 393 . 1 1 32 32 GLU HG2 H 1 2.36 0.02 . 2 . . . . . . . . 6478 1 394 . 1 1 32 32 GLU HG3 H 1 2.28 0.02 . 2 . . . . . . . . 6478 1 395 . 1 1 32 32 GLU C C 13 174.49 0.05 . 1 . . . . . . . . 6478 1 396 . 1 1 32 32 GLU CA C 13 56.59 0.05 . 1 . . . . . . . . 6478 1 397 . 1 1 32 32 GLU CB C 13 26.55 0.05 . 1 . . . . . . . . 6478 1 398 . 1 1 32 32 GLU CG C 13 33.45 0.05 . 1 . . . . . . . . 6478 1 399 . 1 1 32 32 GLU N N 15 119.66 0.05 . 1 . . . . . . . . 6478 1 400 . 1 1 33 33 LYS H H 1 8.26 0.02 . 1 . . . . . . . . 6478 1 401 . 1 1 33 33 LYS HA H 1 4.05 0.02 . 1 . . . . . . . . 6478 1 402 . 1 1 33 33 LYS HB2 H 1 2.17 0.02 . 1 . . . . . . . . 6478 1 403 . 1 1 33 33 LYS HB3 H 1 2.03 0.02 . 1 . . . . . . . . 6478 1 404 . 1 1 33 33 LYS HG2 H 1 1.36 0.02 . 1 . . . . . . . . 6478 1 405 . 1 1 33 33 LYS HG3 H 1 1.36 0.02 . 1 . . . . . . . . 6478 1 406 . 1 1 33 33 LYS HD2 H 1 1.64 0.02 . 1 . . . . . . . . 6478 1 407 . 1 1 33 33 LYS HD3 H 1 1.64 0.02 . 1 . . . . . . . . 6478 1 408 . 1 1 33 33 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 6478 1 409 . 1 1 33 33 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 6478 1 410 . 1 1 33 33 LYS C C 13 172.30 0.05 . 1 . . . . . . . . 6478 1 411 . 1 1 33 33 LYS CA C 13 55.69 0.05 . 1 . . . . . . . . 6478 1 412 . 1 1 33 33 LYS CB C 13 28.07 0.05 . 1 . . . . . . . . 6478 1 413 . 1 1 33 33 LYS CG C 13 23.14 0.05 . 1 . . . . . . . . 6478 1 414 . 1 1 33 33 LYS CD C 13 26.68 0.05 . 1 . . . . . . . . 6478 1 415 . 1 1 33 33 LYS CE C 13 39.5 0.05 . 1 . . . . . . . . 6478 1 416 . 1 1 33 33 LYS N N 15 115.98 0.05 . 1 . . . . . . . . 6478 1 417 . 1 1 34 34 ASP H H 1 7.81 0.02 . 1 . . . . . . . . 6478 1 418 . 1 1 34 34 ASP HA H 1 4.67 0.02 . 1 . . . . . . . . 6478 1 419 . 1 1 34 34 ASP HB2 H 1 2.99 0.02 . 1 . . . . . . . . 6478 1 420 . 1 1 34 34 ASP HB3 H 1 2.54 0.02 . 1 . . . . . . . . 6478 1 421 . 1 1 34 34 ASP C C 13 173.26 0.05 . 1 . . . . . . . . 6478 1 422 . 1 1 34 34 ASP CA C 13 52.83 0.05 . 1 . . . . . . . . 6478 1 423 . 1 1 34 34 ASP CB C 13 39.02 0.05 . 1 . . . . . . . . 6478 1 424 . 1 1 34 34 ASP N N 15 120.23 0.05 . 1 . . . . . . . . 6478 1 425 . 1 1 35 35 ALA H H 1 8.55 0.02 . 1 . . . . . . . . 6478 1 426 . 1 1 35 35 ALA HA H 1 4.67 0.02 . 1 . . . . . . . . 6478 1 427 . 1 1 35 35 ALA HB1 H 1 1.35 0.02 . 1 . . . . . . . . 6478 1 428 . 1 1 35 35 ALA HB2 H 1 1.35 0.02 . 1 . . . . . . . . 6478 1 429 . 1 1 35 35 ALA HB3 H 1 1.35 0.02 . 1 . . . . . . . . 6478 1 430 . 1 1 35 35 ALA C C 13 173.54 0.05 . 1 . . . . . . . . 6478 1 431 . 1 1 35 35 ALA CA C 13 48.56 0.05 . 1 . . . . . . . . 6478 1 432 . 1 1 35 35 ALA CB C 13 18.12 0.05 . 1 . . . . . . . . 6478 1 433 . 1 1 35 35 ALA N N 15 121.75 0.05 . 1 . . . . . . . . 6478 1 434 . 1 1 36 36 LEU H H 1 9.03 0.02 . 1 . . . . . . . . 6478 1 435 . 1 1 36 36 LEU HA H 1 5.07 0.02 . 1 . . . . . . . . 6478 1 436 . 1 1 36 36 LEU HB2 H 1 1.64 0.02 . 1 . . . . . . . . 6478 1 437 . 1 1 36 36 LEU HB3 H 1 1.20 0.02 . 1 . . . . . . . . 6478 1 438 . 1 1 36 36 LEU HG H 1 1.63 0.02 . 1 . . . . . . . . 6478 1 439 . 1 1 36 36 LEU HD11 H 1 0.67 0.02 . 2 . . . . . . . . 6478 1 440 . 1 1 36 36 LEU HD12 H 1 0.67 0.02 . 2 . . . . . . . . 6478 1 441 . 1 1 36 36 LEU HD13 H 1 0.67 0.02 . 2 . . . . . . . . 6478 1 442 . 1 1 36 36 LEU HD21 H 1 0.69 0.02 . 2 . . . . . . . . 6478 1 443 . 1 1 36 36 LEU HD22 H 1 0.69 0.02 . 2 . . . . . . . . 6478 1 444 . 1 1 36 36 LEU HD23 H 1 0.69 0.02 . 2 . . . . . . . . 6478 1 445 . 1 1 36 36 LEU CA C 13 50.48 0.05 . 1 . . . . . . . . 6478 1 446 . 1 1 36 36 LEU CB C 13 41.28 0.05 . 1 . . . . . . . . 6478 1 447 . 1 1 36 36 LEU CG C 13 24.24 0.05 . 1 . . . . . . . . 6478 1 448 . 1 1 36 36 LEU CD1 C 13 24.11 0.05 . 2 . . . . . . . . 6478 1 449 . 1 1 36 36 LEU CD2 C 13 20.62 0.05 . 2 . . . . . . . . 6478 1 450 . 1 1 36 36 LEU N N 15 121.69 0.05 . 1 . . . . . . . . 6478 1 451 . 1 1 37 37 GLU H H 1 9.45 0.02 . 1 . . . . . . . . 6478 1 452 . 1 1 37 37 GLU HA H 1 4.80 0.02 . 1 . . . . . . . . 6478 1 453 . 1 1 37 37 GLU HB2 H 1 1.89 0.02 . 1 . . . . . . . . 6478 1 454 . 1 1 37 37 GLU HB3 H 1 2.07 0.02 . 1 . . . . . . . . 6478 1 455 . 1 1 37 37 GLU HG2 H 1 2.07 0.02 . 1 . . . . . . . . 6478 1 456 . 1 1 37 37 GLU HG3 H 1 2.07 0.02 . 1 . . . . . . . . 6478 1 457 . 1 1 37 37 GLU CA C 13 52.73 0.05 . 1 . . . . . . . . 6478 1 458 . 1 1 37 37 GLU CB C 13 29.73 0.05 . 1 . . . . . . . . 6478 1 459 . 1 1 37 37 GLU CG C 13 33.82 0.05 . 1 . . . . . . . . 6478 1 460 . 1 1 37 37 GLU N N 15 123.47 0.05 . 1 . . . . . . . . 6478 1 461 . 1 1 38 38 ILE H H 1 8.41 0.02 . 1 . . . . . . . . 6478 1 462 . 1 1 38 38 ILE HA H 1 5.20 0.02 . 1 . . . . . . . . 6478 1 463 . 1 1 38 38 ILE HB H 1 1.63 0.02 . 1 . . . . . . . . 6478 1 464 . 1 1 38 38 ILE HG21 H 1 0.73 0.02 . 1 . . . . . . . . 6478 1 465 . 1 1 38 38 ILE HG22 H 1 0.73 0.02 . 1 . . . . . . . . 6478 1 466 . 1 1 38 38 ILE HG23 H 1 0.73 0.02 . 1 . . . . . . . . 6478 1 467 . 1 1 38 38 ILE HD11 H 1 0.61 0.02 . 1 . . . . . . . . 6478 1 468 . 1 1 38 38 ILE HD12 H 1 0.61 0.02 . 1 . . . . . . . . 6478 1 469 . 1 1 38 38 ILE HD13 H 1 0.61 0.02 . 1 . . . . . . . . 6478 1 470 . 1 1 38 38 ILE C C 13 173.05 0.05 . 1 . . . . . . . . 6478 1 471 . 1 1 38 38 ILE CA C 13 58.37 0.05 . 1 . . . . . . . . 6478 1 472 . 1 1 38 38 ILE CB C 13 36.57 0.05 . 1 . . . . . . . . 6478 1 473 . 1 1 38 38 ILE CG2 C 13 15.28 0.05 . 1 . . . . . . . . 6478 1 474 . 1 1 38 38 ILE CD1 C 13 11.22 0.05 . 1 . . . . . . . . 6478 1 475 . 1 1 38 38 ILE N N 15 123.15 0.05 . 1 . . . . . . . . 6478 1 476 . 1 1 39 39 TYR H H 1 9.40 0.02 . 1 . . . . . . . . 6478 1 477 . 1 1 39 39 TYR HA H 1 5.06 0.02 . 1 . . . . . . . . 6478 1 478 . 1 1 39 39 TYR HB2 H 1 3.02 0.02 . 2 . . . . . . . . 6478 1 479 . 1 1 39 39 TYR HB3 H 1 2.97 0.02 . 2 . . . . . . . . 6478 1 480 . 1 1 39 39 TYR HD1 H 1 6.83 0.02 . 1 . . . . . . . . 6478 1 481 . 1 1 39 39 TYR HD2 H 1 6.83 0.02 . 1 . . . . . . . . 6478 1 482 . 1 1 39 39 TYR HE1 H 1 6.60 0.02 . 1 . . . . . . . . 6478 1 483 . 1 1 39 39 TYR HE2 H 1 6.60 0.02 . 1 . . . . . . . . 6478 1 484 . 1 1 39 39 TYR C C 13 170.46 0.05 . 1 . . . . . . . . 6478 1 485 . 1 1 39 39 TYR CA C 13 53.66 0.05 . 1 . . . . . . . . 6478 1 486 . 1 1 39 39 TYR CB C 13 39.28 0.05 . 1 . . . . . . . . 6478 1 487 . 1 1 39 39 TYR N N 15 126.44 0.05 . 1 . . . . . . . . 6478 1 488 . 1 1 40 40 VAL H H 1 8.64 0.02 . 1 . . . . . . . . 6478 1 489 . 1 1 40 40 VAL HA H 1 5.12 0.02 . 1 . . . . . . . . 6478 1 490 . 1 1 40 40 VAL HB H 1 2.02 0.02 . 1 . . . . . . . . 6478 1 491 . 1 1 40 40 VAL HG11 H 1 0.94 0.02 . 2 . . . . . . . . 6478 1 492 . 1 1 40 40 VAL HG12 H 1 0.94 0.02 . 2 . . . . . . . . 6478 1 493 . 1 1 40 40 VAL HG13 H 1 0.94 0.02 . 2 . . . . . . . . 6478 1 494 . 1 1 40 40 VAL HG21 H 1 0.96 0.02 . 2 . . . . . . . . 6478 1 495 . 1 1 40 40 VAL HG22 H 1 0.96 0.02 . 2 . . . . . . . . 6478 1 496 . 1 1 40 40 VAL HG23 H 1 0.96 0.02 . 2 . . . . . . . . 6478 1 497 . 1 1 40 40 VAL C C 13 172.50 0.05 . 1 . . . . . . . . 6478 1 498 . 1 1 40 40 VAL CA C 13 57.56 0.05 . 1 . . . . . . . . 6478 1 499 . 1 1 40 40 VAL CB C 13 32.30 0.05 . 1 . . . . . . . . 6478 1 500 . 1 1 40 40 VAL CG1 C 13 18.99 0.05 . 2 . . . . . . . . 6478 1 501 . 1 1 40 40 VAL CG2 C 13 19.25 0.05 . 2 . . . . . . . . 6478 1 502 . 1 1 40 40 VAL N N 15 117.26 0.05 . 1 . . . . . . . . 6478 1 503 . 1 1 41 41 ASP H H 1 8.51 0.02 . 1 . . . . . . . . 6478 1 504 . 1 1 41 41 ASP HA H 1 4.83 0.02 . 1 . . . . . . . . 6478 1 505 . 1 1 41 41 ASP HB2 H 1 2.62 0.02 . 2 . . . . . . . . 6478 1 506 . 1 1 41 41 ASP HB3 H 1 2.57 0.02 . 2 . . . . . . . . 6478 1 507 . 1 1 41 41 ASP CA C 13 50.85 0.05 . 1 . . . . . . . . 6478 1 508 . 1 1 41 41 ASP CB C 13 40.71 0.05 . 1 . . . . . . . . 6478 1 509 . 1 1 41 41 ASP N N 15 125.79 0.05 . 1 . . . . . . . . 6478 1 510 . 1 1 42 42 ASP H H 1 8.81 0.02 . 1 . . . . . . . . 6478 1 511 . 1 1 42 42 ASP HA H 1 4.22 0.02 . 1 . . . . . . . . 6478 1 512 . 1 1 42 42 ASP HB2 H 1 2.89 0.02 . 1 . . . . . . . . 6478 1 513 . 1 1 42 42 ASP HB3 H 1 2.64 0.02 . 1 . . . . . . . . 6478 1 514 . 1 1 42 42 ASP C C 13 172.24 0.05 . 1 . . . . . . . . 6478 1 515 . 1 1 42 42 ASP CA C 13 53.66 0.05 . 1 . . . . . . . . 6478 1 516 . 1 1 42 42 ASP CB C 13 36.95 0.05 . 1 . . . . . . . . 6478 1 517 . 1 1 42 42 ASP N N 15 122.90 0.05 . 1 . . . . . . . . 6478 1 518 . 1 1 43 43 GLU H H 1 8.86 0.02 . 1 . . . . . . . . 6478 1 519 . 1 1 43 43 GLU HA H 1 4.27 0.02 . 1 . . . . . . . . 6478 1 520 . 1 1 43 43 GLU HB2 H 1 2.18 0.02 . 2 . . . . . . . . 6478 1 521 . 1 1 43 43 GLU HB3 H 1 2.11 0.02 . 2 . . . . . . . . 6478 1 522 . 1 1 43 43 GLU HG2 H 1 2.18 0.02 . 1 . . . . . . . . 6478 1 523 . 1 1 43 43 GLU HG3 H 1 2.18 0.02 . 1 . . . . . . . . 6478 1 524 . 1 1 43 43 GLU C C 13 171.66 0.05 . 1 . . . . . . . . 6478 1 525 . 1 1 43 43 GLU CA C 13 54.38 0.05 . 1 . . . . . . . . 6478 1 526 . 1 1 43 43 GLU CB C 13 26.97 0.05 . 1 . . . . . . . . 6478 1 527 . 1 1 43 43 GLU CG C 13 33.78 0.05 . 1 . . . . . . . . 6478 1 528 . 1 1 43 43 GLU N N 15 117.71 0.05 . 1 . . . . . . . . 6478 1 529 . 1 1 44 44 LYS H H 1 8.12 0.02 . 1 . . . . . . . . 6478 1 530 . 1 1 44 44 LYS HA H 1 4.76 0.02 . 1 . . . . . . . . 6478 1 531 . 1 1 44 44 LYS HB2 H 1 1.92 0.02 . 2 . . . . . . . . 6478 1 532 . 1 1 44 44 LYS HB3 H 1 1.53 0.02 . 2 . . . . . . . . 6478 1 533 . 1 1 44 44 LYS HG2 H 1 1.36 0.02 . 1 . . . . . . . . 6478 1 534 . 1 1 44 44 LYS HG3 H 1 1.36 0.02 . 1 . . . . . . . . 6478 1 535 . 1 1 44 44 LYS HD2 H 1 1.59 0.02 . 1 . . . . . . . . 6478 1 536 . 1 1 44 44 LYS HD3 H 1 1.59 0.02 . 1 . . . . . . . . 6478 1 537 . 1 1 44 44 LYS HE2 H 1 2.92 0.02 . 1 . . . . . . . . 6478 1 538 . 1 1 44 44 LYS HE3 H 1 2.92 0.02 . 1 . . . . . . . . 6478 1 539 . 1 1 44 44 LYS CA C 13 52.55 0.05 . 1 . . . . . . . . 6478 1 540 . 1 1 44 44 LYS CB C 13 31.95 0.05 . 1 . . . . . . . . 6478 1 541 . 1 1 44 44 LYS CG C 13 21.09 0.05 . 1 . . . . . . . . 6478 1 542 . 1 1 44 44 LYS CD C 13 26.60 0.05 . 1 . . . . . . . . 6478 1 543 . 1 1 44 44 LYS CE C 13 39.15 0.05 . 1 . . . . . . . . 6478 1 544 . 1 1 44 44 LYS N N 15 119.16 0.05 . 1 . . . . . . . . 6478 1 545 . 1 1 45 45 ILE H H 1 8.62 0.02 . 1 . . . . . . . . 6478 1 546 . 1 1 45 45 ILE HA H 1 4.42 0.02 . 1 . . . . . . . . 6478 1 547 . 1 1 45 45 ILE HB H 1 1.66 0.02 . 1 . . . . . . . . 6478 1 548 . 1 1 45 45 ILE HG12 H 1 1.63 0.02 . 2 . . . . . . . . 6478 1 549 . 1 1 45 45 ILE HG13 H 1 0.73 0.02 . 2 . . . . . . . . 6478 1 550 . 1 1 45 45 ILE HG21 H 1 0.74 0.02 . 1 . . . . . . . . 6478 1 551 . 1 1 45 45 ILE HG22 H 1 0.74 0.02 . 1 . . . . . . . . 6478 1 552 . 1 1 45 45 ILE HG23 H 1 0.74 0.02 . 1 . . . . . . . . 6478 1 553 . 1 1 45 45 ILE HD11 H 1 0.61 0.02 . 1 . . . . . . . . 6478 1 554 . 1 1 45 45 ILE HD12 H 1 0.61 0.02 . 1 . . . . . . . . 6478 1 555 . 1 1 45 45 ILE HD13 H 1 0.61 0.02 . 1 . . . . . . . . 6478 1 556 . 1 1 45 45 ILE C C 13 171.00 0.05 . 1 . . . . . . . . 6478 1 557 . 1 1 45 45 ILE CA C 13 58.01 0.05 . 1 . . . . . . . . 6478 1 558 . 1 1 45 45 ILE CB C 13 36.62 0.05 . 1 . . . . . . . . 6478 1 559 . 1 1 45 45 ILE CG1 C 13 25.66 0.05 . 1 . . . . . . . . 6478 1 560 . 1 1 45 45 ILE CG2 C 13 15.64 0.05 . 1 . . . . . . . . 6478 1 561 . 1 1 45 45 ILE CD1 C 13 11.25 0.05 . 1 . . . . . . . . 6478 1 562 . 1 1 45 45 ILE N N 15 120.05 0.05 . 1 . . . . . . . . 6478 1 563 . 1 1 46 46 ILE H H 1 8.98 0.02 . 1 . . . . . . . . 6478 1 564 . 1 1 46 46 ILE HA H 1 4.78 0.02 . 1 . . . . . . . . 6478 1 565 . 1 1 46 46 ILE HB H 1 0.99 0.02 . 1 . . . . . . . . 6478 1 566 . 1 1 46 46 ILE HG12 H 1 1.20 0.02 . 2 . . . . . . . . 6478 1 567 . 1 1 46 46 ILE HG13 H 1 1.01 0.02 . 2 . . . . . . . . 6478 1 568 . 1 1 46 46 ILE HG21 H 1 0.63 0.02 . 1 . . . . . . . . 6478 1 569 . 1 1 46 46 ILE HG22 H 1 0.63 0.02 . 1 . . . . . . . . 6478 1 570 . 1 1 46 46 ILE HG23 H 1 0.63 0.02 . 1 . . . . . . . . 6478 1 571 . 1 1 46 46 ILE HD11 H 1 0.69 0.02 . 1 . . . . . . . . 6478 1 572 . 1 1 46 46 ILE HD12 H 1 0.69 0.02 . 1 . . . . . . . . 6478 1 573 . 1 1 46 46 ILE HD13 H 1 0.69 0.02 . 1 . . . . . . . . 6478 1 574 . 1 1 46 46 ILE CA C 13 56.95 0.05 . 1 . . . . . . . . 6478 1 575 . 1 1 46 46 ILE CB C 13 36.87 0.05 . 1 . . . . . . . . 6478 1 576 . 1 1 46 46 ILE CG1 C 13 26.33 0.05 . 1 . . . . . . . . 6478 1 577 . 1 1 46 46 ILE CG2 C 13 16.64 0.05 . 1 . . . . . . . . 6478 1 578 . 1 1 46 46 ILE CD1 C 13 11.83 0.05 . 1 . . . . . . . . 6478 1 579 . 1 1 46 46 ILE N N 15 128.03 0.05 . 1 . . . . . . . . 6478 1 580 . 1 1 47 47 LEU H H 1 9.36 0.02 . 1 . . . . . . . . 6478 1 581 . 1 1 47 47 LEU HA H 1 5.44 0.02 . 1 . . . . . . . . 6478 1 582 . 1 1 47 47 LEU HB2 H 1 1.71 0.02 . 1 . . . . . . . . 6478 1 583 . 1 1 47 47 LEU HB3 H 1 1.32 0.02 . 1 . . . . . . . . 6478 1 584 . 1 1 47 47 LEU HG H 1 1.56 0.02 . 1 . . . . . . . . 6478 1 585 . 1 1 47 47 LEU HD11 H 1 0.66 0.02 . 2 . . . . . . . . 6478 1 586 . 1 1 47 47 LEU HD12 H 1 0.66 0.02 . 2 . . . . . . . . 6478 1 587 . 1 1 47 47 LEU HD13 H 1 0.66 0.02 . 2 . . . . . . . . 6478 1 588 . 1 1 47 47 LEU HD21 H 1 0.67 0.02 . 2 . . . . . . . . 6478 1 589 . 1 1 47 47 LEU HD22 H 1 0.67 0.02 . 2 . . . . . . . . 6478 1 590 . 1 1 47 47 LEU HD23 H 1 0.67 0.02 . 2 . . . . . . . . 6478 1 591 . 1 1 47 47 LEU C C 13 172.88 0.05 . 1 . . . . . . . . 6478 1 592 . 1 1 47 47 LEU CA C 13 50.73 0.05 . 1 . . . . . . . . 6478 1 593 . 1 1 47 47 LEU CB C 13 41.47 0.05 . 1 . . . . . . . . 6478 1 594 . 1 1 47 47 LEU CG C 13 24.09 0.05 . 1 . . . . . . . . 6478 1 595 . 1 1 47 47 LEU CD1 C 13 23.73 0.05 . 2 . . . . . . . . 6478 1 596 . 1 1 47 47 LEU CD2 C 13 23.57 0.05 . 2 . . . . . . . . 6478 1 597 . 1 1 47 47 LEU N N 15 124.41 0.05 . 1 . . . . . . . . 6478 1 598 . 1 1 48 48 LYS H H 1 8.66 0.02 . 1 . . . . . . . . 6478 1 599 . 1 1 48 48 LYS HA H 1 4.83 0.02 . 1 . . . . . . . . 6478 1 600 . 1 1 48 48 LYS HB2 H 1 1.93 0.02 . 2 . . . . . . . . 6478 1 601 . 1 1 48 48 LYS HB3 H 1 1.78 0.02 . 2 . . . . . . . . 6478 1 602 . 1 1 48 48 LYS HG2 H 1 1.56 0.02 . 2 . . . . . . . . 6478 1 603 . 1 1 48 48 LYS HG3 H 1 1.42 0.02 . 2 . . . . . . . . 6478 1 604 . 1 1 48 48 LYS HD2 H 1 1.65 0.02 . 1 . . . . . . . . 6478 1 605 . 1 1 48 48 LYS HD3 H 1 1.65 0.02 . 1 . . . . . . . . 6478 1 606 . 1 1 48 48 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 6478 1 607 . 1 1 48 48 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 6478 1 608 . 1 1 48 48 LYS C C 13 172.58 0.05 . 1 . . . . . . . . 6478 1 609 . 1 1 48 48 LYS CA C 13 51.56 0.05 . 1 . . . . . . . . 6478 1 610 . 1 1 48 48 LYS CB C 13 34.23 0.05 . 1 . . . . . . . . 6478 1 611 . 1 1 48 48 LYS CG C 13 21.71 0.05 . 1 . . . . . . . . 6478 1 612 . 1 1 48 48 LYS CD C 13 26.67 0.05 . 1 . . . . . . . . 6478 1 613 . 1 1 48 48 LYS CE C 13 39.4 0.05 . 1 . . . . . . . . 6478 1 614 . 1 1 48 48 LYS N N 15 119.16 0.05 . 1 . . . . . . . . 6478 1 615 . 1 1 49 49 LYS H H 1 9.25 0.02 . 1 . . . . . . . . 6478 1 616 . 1 1 49 49 LYS HA H 1 4.23 0.02 . 1 . . . . . . . . 6478 1 617 . 1 1 49 49 LYS HB2 H 1 1.88 0.02 . 1 . . . . . . . . 6478 1 618 . 1 1 49 49 LYS HB3 H 1 1.64 0.02 . 1 . . . . . . . . 6478 1 619 . 1 1 49 49 LYS HG2 H 1 1.52 0.02 . 2 . . . . . . . . 6478 1 620 . 1 1 49 49 LYS HG3 H 1 1.37 0.02 . 2 . . . . . . . . 6478 1 621 . 1 1 49 49 LYS HD2 H 1 1.72 0.02 . 1 . . . . . . . . 6478 1 622 . 1 1 49 49 LYS HD3 H 1 1.72 0.02 . 1 . . . . . . . . 6478 1 623 . 1 1 49 49 LYS HE2 H 1 2.91 0.02 . 1 . . . . . . . . 6478 1 624 . 1 1 49 49 LYS HE3 H 1 2.91 0.02 . 1 . . . . . . . . 6478 1 625 . 1 1 49 49 LYS C C 13 173.68 0.05 . 1 . . . . . . . . 6478 1 626 . 1 1 49 49 LYS CA C 13 56.36 0.05 . 1 . . . . . . . . 6478 1 627 . 1 1 49 49 LYS CB C 13 29.95 0.05 . 1 . . . . . . . . 6478 1 628 . 1 1 49 49 LYS CG C 13 23.39 0.05 . 1 . . . . . . . . 6478 1 629 . 1 1 49 49 LYS CD C 13 26.88 0.05 . 1 . . . . . . . . 6478 1 630 . 1 1 49 49 LYS CE C 13 39.7 0.05 . 1 . . . . . . . . 6478 1 631 . 1 1 49 49 LYS N N 15 124.15 0.05 . 1 . . . . . . . . 6478 1 632 . 1 1 50 50 TYR H H 1 8.59 0.02 . 1 . . . . . . . . 6478 1 633 . 1 1 50 50 TYR HA H 1 4.61 0.02 . 1 . . . . . . . . 6478 1 634 . 1 1 50 50 TYR HB2 H 1 2.79 0.02 . 1 . . . . . . . . 6478 1 635 . 1 1 50 50 TYR HB3 H 1 2.70 0.02 . 1 . . . . . . . . 6478 1 636 . 1 1 50 50 TYR HD1 H 1 7.03 0.02 . 1 . . . . . . . . 6478 1 637 . 1 1 50 50 TYR HD2 H 1 7.03 0.02 . 1 . . . . . . . . 6478 1 638 . 1 1 50 50 TYR HE1 H 1 6.75 0.02 . 1 . . . . . . . . 6478 1 639 . 1 1 50 50 TYR HE2 H 1 6.75 0.02 . 1 . . . . . . . . 6478 1 640 . 1 1 50 50 TYR C C 13 172.43 0.05 . 1 . . . . . . . . 6478 1 641 . 1 1 50 50 TYR CA C 13 55.24 0.05 . 1 . . . . . . . . 6478 1 642 . 1 1 50 50 TYR CB C 13 36.73 0.05 . 1 . . . . . . . . 6478 1 643 . 1 1 50 50 TYR N N 15 127.33 0.05 . 1 . . . . . . . . 6478 1 644 . 1 1 51 51 LYS H H 1 8.10 0.02 . 1 . . . . . . . . 6478 1 645 . 1 1 51 51 LYS HA H 1 4.50 0.02 . 1 . . . . . . . . 6478 1 646 . 1 1 51 51 LYS HB2 H 1 1.71 0.02 . 2 . . . . . . . . 6478 1 647 . 1 1 51 51 LYS HB3 H 1 1.54 0.02 . 2 . . . . . . . . 6478 1 648 . 1 1 51 51 LYS HG2 H 1 1.30 0.02 . 2 . . . . . . . . 6478 1 649 . 1 1 51 51 LYS HG3 H 1 1.27 0.02 . 2 . . . . . . . . 6478 1 650 . 1 1 51 51 LYS HD2 H 1 1.65 0.02 . 1 . . . . . . . . 6478 1 651 . 1 1 51 51 LYS HD3 H 1 1.65 0.02 . 1 . . . . . . . . 6478 1 652 . 1 1 51 51 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 6478 1 653 . 1 1 51 51 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 6478 1 654 . 1 1 51 51 LYS C C 13 170.07 0.05 . 1 . . . . . . . . 6478 1 655 . 1 1 51 51 LYS CA C 13 50.56 0.05 . 1 . . . . . . . . 6478 1 656 . 1 1 51 51 LYS CB C 13 30.81 0.05 . 1 . . . . . . . . 6478 1 657 . 1 1 51 51 LYS CG C 13 21.64 0.05 . 1 . . . . . . . . 6478 1 658 . 1 1 51 51 LYS CD C 13 26.18 0.05 . 1 . . . . . . . . 6478 1 659 . 1 1 51 51 LYS CE C 13 39.5 0.05 . 1 . . . . . . . . 6478 1 660 . 1 1 51 51 LYS N N 15 129.59 0.05 . 1 . . . . . . . . 6478 1 661 . 1 1 52 52 PRO HA H 1 4.17 0.02 . 1 . . . . . . . . 6478 1 662 . 1 1 52 52 PRO HB2 H 1 2.16 0.02 . 2 . . . . . . . . 6478 1 663 . 1 1 52 52 PRO HB3 H 1 1.96 0.02 . 2 . . . . . . . . 6478 1 664 . 1 1 52 52 PRO HG2 H 1 1.93 0.02 . 2 . . . . . . . . 6478 1 665 . 1 1 52 52 PRO HG3 H 1 1.88 0.02 . 2 . . . . . . . . 6478 1 666 . 1 1 52 52 PRO HD2 H 1 3.53 0.02 . 2 . . . . . . . . 6478 1 667 . 1 1 52 52 PRO HD3 H 1 3.06 0.02 . 2 . . . . . . . . 6478 1 668 . 1 1 52 52 PRO C C 13 173.17 0.05 . 1 . . . . . . . . 6478 1 669 . 1 1 52 52 PRO CA C 13 60.38 0.05 . 1 . . . . . . . . 6478 1 670 . 1 1 52 52 PRO CB C 13 29.21 0.05 . 1 . . . . . . . . 6478 1 671 . 1 1 52 52 PRO CG C 13 24.12 0.05 . 1 . . . . . . . . 6478 1 672 . 1 1 52 52 PRO CD C 13 47.84 0.05 . 1 . . . . . . . . 6478 1 673 . 1 1 53 53 ASN H H 1 7.81 0.02 . 1 . . . . . . . . 6478 1 674 . 1 1 53 53 ASN HA H 1 4.39 0.02 . 1 . . . . . . . . 6478 1 675 . 1 1 53 53 ASN HB2 H 1 2.73 0.02 . 2 . . . . . . . . 6478 1 676 . 1 1 53 53 ASN HB3 H 1 2.66 0.02 . 2 . . . . . . . . 6478 1 677 . 1 1 53 53 ASN HD21 H 1 6.78 0.02 . 2 . . . . . . . . 6478 1 678 . 1 1 53 53 ASN HD22 H 1 7.41 0.02 . 2 . . . . . . . . 6478 1 679 . 1 1 53 53 ASN C C 13 176.80 0.05 . 1 . . . . . . . . 6478 1 680 . 1 1 53 53 ASN CA C 13 52.08 0.05 . 1 . . . . . . . . 6478 1 681 . 1 1 53 53 ASN CB C 13 37.75 0.05 . 1 . . . . . . . . 6478 1 682 . 1 1 53 53 ASN N N 15 123.50 0.05 . 1 . . . . . . . . 6478 1 683 . 1 1 53 53 ASN ND2 N 15 112.74 0.05 . 1 . . . . . . . . 6478 1 stop_ save_