data_4237 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4237 _Entry.Title ; Backbone and side-chain 1H, 15N, and 13C Assignments for the Topological Specificity Domain of the MinE cell Division Protein ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1998-10-06 _Entry.Accession_date 1998-10-06 _Entry.Last_release_date 1999-12-23 _Entry.Original_release_date 1999-12-23 _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 ; The file contains near-complete backbone and side-chain 1H,15N, and 13C assignments for the MinE topological specificity domain ; _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 Glenn King . F. . 4237 2 Borlan Pan . . . 4237 3 Mark Maciejewski . W. . 4237 4 Susan Rowland . L. . 4237 5 Lawrence Rothfield . I. . 4237 6 Gregory Mullen . P. . 4237 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4237 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 254 4237 '15N chemical shifts' 57 4237 '1H chemical shifts' 445 4237 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 . . 1999-12-23 1998-10-06 original author . 4237 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4237 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99281466 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Backbone and side-chain 1H, 15N, and 13C Assignments for the Topological Specificity Domain of the MinE cell Division Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 13 _Citation.Journal_issue 4 _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 395 _Citation.Page_last 396 _Citation.Year 1999 _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 Glenn King . F. . 4237 1 2 Borlan Pan . . . 4237 1 3 Mark Maciejewski . W. . 4237 1 4 Susan Rowland . L. . 4237 1 5 Lawrence Rothfield . I. . 4237 1 6 Gregory Mullen . P. . 4237 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '1H,15N,13C assignments' 4237 1 'cell division' 4237 1 MinE 4237 1 'topological specificity' 4237 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_MinE(31-88) _Assembly.Sf_category assembly _Assembly.Sf_framecode MinE(31-88) _Assembly.Entry_ID 4237 _Assembly.ID 1 _Assembly.Name 'MinE topological specificity domain' _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 'fully reduced' _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 dimer 4237 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 'MinE subunit 1' 1 $MinE . . . native . . 1 . . 4237 1 2 'MinE subunit 2' 1 $MinE . . . native . . 1 . . 4237 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 yes PDB 1EV0 . 'Chain A, Solution Structure Of The Mine Topological Specificity Domain' . . . . 4237 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID MinE(31-88) abbreviation 4237 1 'MinE topological specificity domain' system 4237 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; MinE interacts with the MinC and MinD proteins to ensure correct placement of the division septum in Escherichia coli ; 4237 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MinE _Entity.Sf_category entity _Entity.Sf_framecode MinE _Entity.Entry_ID 4237 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MinE _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 ; RSDAEPHYLPQLRKDILEVI CKYVQIDPEMVTVQLEQKDG DISILELNVTLPEAEELK ; _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 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-11-24 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 1EV0 . "Solution Structure Of The Mine Topological Specificity Domain" . . . . . 100.00 58 100.00 100.00 1.00e-31 . . . . 4237 1 2 no PDB 3R9J . "4.3a Resolution Structure Of A Mind-Mine(I24n) Protein Complex" . . . . . 100.00 77 100.00 100.00 3.85e-32 . . . . 4237 1 3 no DBJ BAA36008 . "cell division topological specificity factor [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 88 100.00 100.00 3.27e-32 . . . . 4237 1 4 no DBJ BAB35091 . "cell division topological specificity factor MinE [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 88 100.00 100.00 3.27e-32 . . . . 4237 1 5 no DBJ BAG76744 . "cell division topological specificity factor [Escherichia coli SE11]" . . . . . 100.00 88 100.00 100.00 3.27e-32 . . . . 4237 1 6 no DBJ BAI24985 . "cell division topological specificity factor MinE [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 88 100.00 100.00 3.27e-32 . . . . 4237 1 7 no DBJ BAI30111 . "cell division topological specificity factor MinE [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 88 100.00 100.00 3.27e-32 . . . . 4237 1 8 no EMBL CAD05499 . "cell division topological specificity factor [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 88 98.28 98.28 2.04e-31 . . . . 4237 1 9 no EMBL CAP75708 . "Cell division topological specificity factor [Escherichia coli LF82]" . . . . . 100.00 88 100.00 100.00 3.27e-32 . . . . 4237 1 10 no EMBL CAQ31676 . "cell division topological specificity factor and inhibitory component of the MinC-MinD-MinE system that regulates septum placem" . . . . . 100.00 88 100.00 100.00 3.27e-32 . . . . 4237 1 11 no EMBL CAQ89293 . "cell division topological specificity factor [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 88 98.28 100.00 1.17e-31 . . . . 4237 1 12 no EMBL CAQ98052 . "cell division topological specificity factor [Escherichia coli IAI1]" . . . . . 100.00 88 100.00 100.00 3.27e-32 . . . . 4237 1 13 no GB AAB59063 . "MinE protein [Escherichia coli]" . . . . . 100.00 88 100.00 100.00 3.27e-32 . . . . 4237 1 14 no GB AAC74258 . "cell division topological specificity factor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 88 100.00 100.00 3.27e-32 . . . . 4237 1 15 no GB AAG56025 . "cell division topological specificity factor, reverses MinC inhibition of ftsZ ring formation [Escherichia coli O157:H7 str. ED" . . . . . 100.00 88 100.00 100.00 3.27e-32 . . . . 4237 1 16 no GB AAL20731 . "cell division topological specificity factor [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 88 98.28 98.28 2.04e-31 . . . . 4237 1 17 no GB AAN42777 . "cell division topological specificity factor [Shigella flexneri 2a str. 301]" . . . . . 100.00 88 100.00 100.00 3.27e-32 . . . . 4237 1 18 no PIR AI0724 . "cell division topological specificity factor [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 88 98.28 98.28 2.04e-31 . . . . 4237 1 19 no REF NP_309695 . "cell division topological specificity factor MinE [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 88 100.00 100.00 3.27e-32 . . . . 4237 1 20 no REF NP_415692 . "cell division topological specificity factor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 88 100.00 100.00 3.27e-32 . . . . 4237 1 21 no REF NP_456323 . "cell division topological specificity factor [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 88 98.28 98.28 2.04e-31 . . . . 4237 1 22 no REF NP_460772 . "cell division topological specificity factor MinE [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 88 98.28 98.28 2.04e-31 . . . . 4237 1 23 no REF NP_707070 . "cell division topological specificity factor MinE [Shigella flexneri 2a str. 301]" . . . . . 100.00 88 100.00 100.00 3.27e-32 . . . . 4237 1 24 no SP A1AA98 . "RecName: Full=Cell division topological specificity factor" . . . . . 100.00 88 100.00 100.00 3.27e-32 . . . . 4237 1 25 no SP A4WBG2 . "RecName: Full=Cell division topological specificity factor" . . . . . 96.55 89 100.00 100.00 6.54e-31 . . . . 4237 1 26 no SP A7ZKU5 . "RecName: Full=Cell division topological specificity factor" . . . . . 100.00 88 100.00 100.00 3.27e-32 . . . . 4237 1 27 no SP A7ZZA8 . "RecName: Full=Cell division topological specificity factor" . . . . . 100.00 88 100.00 100.00 3.27e-32 . . . . 4237 1 28 no SP A8AFQ7 . "RecName: Full=Cell division topological specificity factor" . . . . . 96.55 88 100.00 100.00 4.17e-31 . . . . 4237 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID MinE abbreviation 4237 1 MinE common 4237 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 . ARG . 4237 1 2 . SER . 4237 1 3 . ASP . 4237 1 4 . ALA . 4237 1 5 . GLU . 4237 1 6 . PRO . 4237 1 7 . HIS . 4237 1 8 . TYR . 4237 1 9 . LEU . 4237 1 10 . PRO . 4237 1 11 . GLN . 4237 1 12 . LEU . 4237 1 13 . ARG . 4237 1 14 . LYS . 4237 1 15 . ASP . 4237 1 16 . ILE . 4237 1 17 . LEU . 4237 1 18 . GLU . 4237 1 19 . VAL . 4237 1 20 . ILE . 4237 1 21 . CYS . 4237 1 22 . LYS . 4237 1 23 . TYR . 4237 1 24 . VAL . 4237 1 25 . GLN . 4237 1 26 . ILE . 4237 1 27 . ASP . 4237 1 28 . PRO . 4237 1 29 . GLU . 4237 1 30 . MET . 4237 1 31 . VAL . 4237 1 32 . THR . 4237 1 33 . VAL . 4237 1 34 . GLN . 4237 1 35 . LEU . 4237 1 36 . GLU . 4237 1 37 . GLN . 4237 1 38 . LYS . 4237 1 39 . ASP . 4237 1 40 . GLY . 4237 1 41 . ASP . 4237 1 42 . ILE . 4237 1 43 . SER . 4237 1 44 . ILE . 4237 1 45 . LEU . 4237 1 46 . GLU . 4237 1 47 . LEU . 4237 1 48 . ASN . 4237 1 49 . VAL . 4237 1 50 . THR . 4237 1 51 . LEU . 4237 1 52 . PRO . 4237 1 53 . GLU . 4237 1 54 . ALA . 4237 1 55 . GLU . 4237 1 56 . GLU . 4237 1 57 . LEU . 4237 1 58 . LYS . 4237 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 . ARG 1 1 4237 1 . SER 2 2 4237 1 . ASP 3 3 4237 1 . ALA 4 4 4237 1 . GLU 5 5 4237 1 . PRO 6 6 4237 1 . HIS 7 7 4237 1 . TYR 8 8 4237 1 . LEU 9 9 4237 1 . PRO 10 10 4237 1 . GLN 11 11 4237 1 . LEU 12 12 4237 1 . ARG 13 13 4237 1 . LYS 14 14 4237 1 . ASP 15 15 4237 1 . ILE 16 16 4237 1 . LEU 17 17 4237 1 . GLU 18 18 4237 1 . VAL 19 19 4237 1 . ILE 20 20 4237 1 . CYS 21 21 4237 1 . LYS 22 22 4237 1 . TYR 23 23 4237 1 . VAL 24 24 4237 1 . GLN 25 25 4237 1 . ILE 26 26 4237 1 . ASP 27 27 4237 1 . PRO 28 28 4237 1 . GLU 29 29 4237 1 . MET 30 30 4237 1 . VAL 31 31 4237 1 . THR 32 32 4237 1 . VAL 33 33 4237 1 . GLN 34 34 4237 1 . LEU 35 35 4237 1 . GLU 36 36 4237 1 . GLN 37 37 4237 1 . LYS 38 38 4237 1 . ASP 39 39 4237 1 . GLY 40 40 4237 1 . ASP 41 41 4237 1 . ILE 42 42 4237 1 . SER 43 43 4237 1 . ILE 44 44 4237 1 . LEU 45 45 4237 1 . GLU 46 46 4237 1 . LEU 47 47 4237 1 . ASN 48 48 4237 1 . VAL 49 49 4237 1 . THR 50 50 4237 1 . LEU 51 51 4237 1 . PRO 52 52 4237 1 . GLU 53 53 4237 1 . ALA 54 54 4237 1 . GLU 55 55 4237 1 . GLU 56 56 4237 1 . LEU 57 57 4237 1 . LYS 58 58 4237 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 4237 _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 $MinE . 562 organism . 'Escherichia coli' 'Escherichia coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . minE . . . . 4237 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 4237 _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 $MinE . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . ; Protein was expressed as a His-tag fusion and purified using nickel affinity chromatography. The His-tag was then removed by thrombin cleavage. ; . . 4237 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample1 _Sample.Sf_category sample _Sample.Sf_framecode Sample1 _Sample.Entry_ID 4237 _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 MinE [U-15N] . . 1 $MinE . . . 2.9 3.5 mM . . . . 4237 1 stop_ save_ save_Sample2 _Sample.Sf_category sample _Sample.Sf_framecode Sample2 _Sample.Entry_ID 4237 _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 MinE '[U-15N; U-13C]' . . 1 $MinE . . . 2.9 3.5 mM . . . . 4237 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4237 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; Samples contained 15 mM DTT and 1 mM EDTA to prevent oxidation of the single cysteine residue in each MinE(31-88) monomer ; 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' 0.075 0.005 M 4237 1 pH 5.7 0.1 n/a 4237 1 temperature 298 1 K 4237 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4237 _Software.ID 1 _Software.Name FELIX _Software.Version 95 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4237 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 4237 _Software.ID 2 _Software.Name XEASY _Software.Version 1.3.13 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral analysis' 4237 2 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 4237 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4237 _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 Varian INOVA . 600 . . . 4237 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 4237 _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 '3D HNCO' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4237 1 2 '3D HNCACB' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4237 1 3 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4237 1 4 '3D HCCH-TOCSY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4237 1 5 '3D TOCSY-HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4237 1 6 '3D HC(CO)NH-TOCSY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4237 1 7 '3D C(CO)NH-TOCSY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4237 1 8 '3D 13C NOESY-HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4237 1 9 '3D 15N NOESY-HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4237 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4237 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4237 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4237 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4237 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4237 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4237 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4237 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HC(CO)NH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4237 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D C(CO)NH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4237 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D 13C NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4237 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D 15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.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 4237 _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 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4237 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 4237 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4237 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_Shift_Set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Shift_Set_1 _Assigned_chem_shift_list.Entry_ID 4237 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 . . 1 $Sample1 . 4237 1 . . 2 $Sample2 . 4237 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 ARG H H 1 8.52 0.02 . 1 . . . . . . . . 4237 1 2 . 1 1 1 1 ARG HA H 1 4.44 0.02 . 1 . . . . . . . . 4237 1 3 . 1 1 1 1 ARG HB2 H 1 1.96 0.02 . 2 . . . . . . . . 4237 1 4 . 1 1 1 1 ARG HB3 H 1 1.86 0.02 . 2 . . . . . . . . 4237 1 5 . 1 1 1 1 ARG HG2 H 1 1.72 0.02 . 1 . . . . . . . . 4237 1 6 . 1 1 1 1 ARG HG3 H 1 1.72 0.02 . 1 . . . . . . . . 4237 1 7 . 1 1 1 1 ARG HD2 H 1 3.28 0.02 . 1 . . . . . . . . 4237 1 8 . 1 1 1 1 ARG HD3 H 1 3.28 0.02 . 1 . . . . . . . . 4237 1 9 . 1 1 1 1 ARG HE H 1 7.45 0.02 . 1 . . . . . . . . 4237 1 10 . 1 1 1 1 ARG C C 13 176.7 0.1 . 1 . . . . . . . . 4237 1 11 . 1 1 1 1 ARG CA C 13 56.7 0.1 . 1 . . . . . . . . 4237 1 12 . 1 1 1 1 ARG CB C 13 31.6 0.1 . 1 . . . . . . . . 4237 1 13 . 1 1 1 1 ARG CG C 13 27.6 0.1 . 1 . . . . . . . . 4237 1 14 . 1 1 1 1 ARG CD C 13 43.9 0.1 . 1 . . . . . . . . 4237 1 15 . 1 1 1 1 ARG N N 15 123.9 0.1 . 1 . . . . . . . . 4237 1 16 . 1 1 2 2 SER H H 1 8.54 0.02 . 1 . . . . . . . . 4237 1 17 . 1 1 2 2 SER HA H 1 4.51 0.02 . 1 . . . . . . . . 4237 1 18 . 1 1 2 2 SER HB2 H 1 3.97 0.02 . 1 . . . . . . . . 4237 1 19 . 1 1 2 2 SER HB3 H 1 3.97 0.02 . 1 . . . . . . . . 4237 1 20 . 1 1 2 2 SER C C 13 174.6 0.1 . 1 . . . . . . . . 4237 1 21 . 1 1 2 2 SER CA C 13 59.1 0.1 . 1 . . . . . . . . 4237 1 22 . 1 1 2 2 SER CB C 13 64.5 0.1 . 1 . . . . . . . . 4237 1 23 . 1 1 2 2 SER N N 15 117.5 0.1 . 1 . . . . . . . . 4237 1 24 . 1 1 3 3 ASP H H 1 8.39 0.02 . 1 . . . . . . . . 4237 1 25 . 1 1 3 3 ASP HA H 1 4.67 0.02 . 1 . . . . . . . . 4237 1 26 . 1 1 3 3 ASP HB2 H 1 2.76 0.02 . 1 . . . . . . . . 4237 1 27 . 1 1 3 3 ASP HB3 H 1 2.76 0.02 . 1 . . . . . . . . 4237 1 28 . 1 1 3 3 ASP C C 13 175.8 0.1 . 1 . . . . . . . . 4237 1 29 . 1 1 3 3 ASP CA C 13 54.8 0.1 . 1 . . . . . . . . 4237 1 30 . 1 1 3 3 ASP CB C 13 41.3 0.1 . 1 . . . . . . . . 4237 1 31 . 1 1 3 3 ASP N N 15 122.2 0.1 . 1 . . . . . . . . 4237 1 32 . 1 1 4 4 ALA H H 1 8.00 0.02 . 1 . . . . . . . . 4237 1 33 . 1 1 4 4 ALA HA H 1 4.36 0.02 . 1 . . . . . . . . 4237 1 34 . 1 1 4 4 ALA HB1 H 1 1.37 0.02 . 1 . . . . . . . . 4237 1 35 . 1 1 4 4 ALA HB2 H 1 1.37 0.02 . 1 . . . . . . . . 4237 1 36 . 1 1 4 4 ALA HB3 H 1 1.37 0.02 . 1 . . . . . . . . 4237 1 37 . 1 1 4 4 ALA C C 13 177.3 0.1 . 1 . . . . . . . . 4237 1 38 . 1 1 4 4 ALA CA C 13 52.4 0.1 . 1 . . . . . . . . 4237 1 39 . 1 1 4 4 ALA CB C 13 20.0 0.1 . 1 . . . . . . . . 4237 1 40 . 1 1 4 4 ALA N N 15 123.2 0.1 . 1 . . . . . . . . 4237 1 41 . 1 1 5 5 GLU H H 1 8.11 0.02 . 1 . . . . . . . . 4237 1 42 . 1 1 5 5 GLU HA H 1 4.46 0.02 . 1 . . . . . . . . 4237 1 43 . 1 1 5 5 GLU HB2 H 1 1.92 0.02 . 1 . . . . . . . . 4237 1 44 . 1 1 5 5 GLU HB3 H 1 1.92 0.02 . 1 . . . . . . . . 4237 1 45 . 1 1 5 5 GLU HG2 H 1 2.30 0.02 . 2 . . . . . . . . 4237 1 46 . 1 1 5 5 GLU HG3 H 1 2.21 0.02 . 2 . . . . . . . . 4237 1 47 . 1 1 5 5 GLU CA C 13 54.3 0.1 . 1 . . . . . . . . 4237 1 48 . 1 1 5 5 GLU CB C 13 30.1 0.1 . 1 . . . . . . . . 4237 1 49 . 1 1 5 5 GLU N N 15 120.3 0.1 . 1 . . . . . . . . 4237 1 50 . 1 1 6 6 PRO HA H 1 4.41 0.02 . 1 . . . . . . . . 4237 1 51 . 1 1 6 6 PRO HB2 H 1 2.11 0.02 . 1 . . . . . . . . 4237 1 52 . 1 1 6 6 PRO HB3 H 1 2.11 0.02 . 1 . . . . . . . . 4237 1 53 . 1 1 6 6 PRO HG2 H 1 1.72 0.02 . 2 . . . . . . . . 4237 1 54 . 1 1 6 6 PRO HG3 H 1 0.97 0.02 . 2 . . . . . . . . 4237 1 55 . 1 1 6 6 PRO HD2 H 1 3.90 0.02 . 2 . . . . . . . . 4237 1 56 . 1 1 6 6 PRO HD3 H 1 3.37 0.02 . 2 . . . . . . . . 4237 1 57 . 1 1 6 6 PRO C C 13 179.0 0.1 . 1 . . . . . . . . 4237 1 58 . 1 1 6 6 PRO CA C 13 63.2 0.1 . 1 . . . . . . . . 4237 1 59 . 1 1 6 6 PRO CB C 13 32.5 0.1 . 1 . . . . . . . . 4237 1 60 . 1 1 6 6 PRO CG C 13 28.0 0.1 . 1 . . . . . . . . 4237 1 61 . 1 1 6 6 PRO CD C 13 50.7 0.1 . 1 . . . . . . . . 4237 1 62 . 1 1 7 7 HIS H H 1 9.54 0.02 . 1 . . . . . . . . 4237 1 63 . 1 1 7 7 HIS HA H 1 4.43 0.02 . 1 . . . . . . . . 4237 1 64 . 1 1 7 7 HIS HB2 H 1 3.42 0.02 . 1 . . . . . . . . 4237 1 65 . 1 1 7 7 HIS HB3 H 1 3.42 0.02 . 1 . . . . . . . . 4237 1 66 . 1 1 7 7 HIS HD2 H 1 7.29 0.02 . 1 . . . . . . . . 4237 1 67 . 1 1 7 7 HIS HE1 H 1 7.57 0.02 . 1 . . . . . . . . 4237 1 68 . 1 1 7 7 HIS C C 13 175.2 0.1 . 1 . . . . . . . . 4237 1 69 . 1 1 7 7 HIS CA C 13 58.6 0.1 . 1 . . . . . . . . 4237 1 70 . 1 1 7 7 HIS CB C 13 29.3 0.1 . 1 . . . . . . . . 4237 1 71 . 1 1 7 7 HIS N N 15 121.2 0.1 . 1 . . . . . . . . 4237 1 72 . 1 1 8 8 TYR H H 1 6.44 0.02 . 1 . . . . . . . . 4237 1 73 . 1 1 8 8 TYR HA H 1 4.72 0.02 . 1 . . . . . . . . 4237 1 74 . 1 1 8 8 TYR HB2 H 1 3.41 0.02 . 2 . . . . . . . . 4237 1 75 . 1 1 8 8 TYR HB3 H 1 2.86 0.02 . 2 . . . . . . . . 4237 1 76 . 1 1 8 8 TYR HD1 H 1 6.75 0.02 . 1 . . . . . . . . 4237 1 77 . 1 1 8 8 TYR HD2 H 1 6.75 0.02 . 1 . . . . . . . . 4237 1 78 . 1 1 8 8 TYR HE1 H 1 6.75 0.02 . 1 . . . . . . . . 4237 1 79 . 1 1 8 8 TYR HE2 H 1 6.75 0.02 . 1 . . . . . . . . 4237 1 80 . 1 1 8 8 TYR C C 13 176.1 0.1 . 1 . . . . . . . . 4237 1 81 . 1 1 8 8 TYR CA C 13 56.4 0.1 . 1 . . . . . . . . 4237 1 82 . 1 1 8 8 TYR CB C 13 38.7 0.1 . 1 . . . . . . . . 4237 1 83 . 1 1 8 8 TYR N N 15 111.3 0.1 . 1 . . . . . . . . 4237 1 84 . 1 1 9 9 LEU H H 1 7.19 0.02 . 1 . . . . . . . . 4237 1 85 . 1 1 9 9 LEU HA H 1 3.93 0.02 . 1 . . . . . . . . 4237 1 86 . 1 1 9 9 LEU HB2 H 1 1.73 0.02 . 2 . . . . . . . . 4237 1 87 . 1 1 9 9 LEU HB3 H 1 1.34 0.02 . 2 . . . . . . . . 4237 1 88 . 1 1 9 9 LEU HG H 1 1.52 0.02 . 1 . . . . . . . . 4237 1 89 . 1 1 9 9 LEU HD11 H 1 0.84 0.02 . 2 . . . . . . . . 4237 1 90 . 1 1 9 9 LEU HD12 H 1 0.84 0.02 . 2 . . . . . . . . 4237 1 91 . 1 1 9 9 LEU HD13 H 1 0.84 0.02 . 2 . . . . . . . . 4237 1 92 . 1 1 9 9 LEU HD21 H 1 0.80 0.02 . 2 . . . . . . . . 4237 1 93 . 1 1 9 9 LEU HD22 H 1 0.80 0.02 . 2 . . . . . . . . 4237 1 94 . 1 1 9 9 LEU HD23 H 1 0.80 0.02 . 2 . . . . . . . . 4237 1 95 . 1 1 9 9 LEU CA C 13 60.1 0.1 . 1 . . . . . . . . 4237 1 96 . 1 1 9 9 LEU CB C 13 39.6 0.1 . 1 . . . . . . . . 4237 1 97 . 1 1 9 9 LEU CG C 13 27.8 0.1 . 1 . . . . . . . . 4237 1 98 . 1 1 9 9 LEU CD1 C 13 26.0 0.1 . 1 . . . . . . . . 4237 1 99 . 1 1 9 9 LEU CD2 C 13 26.0 0.1 . 1 . . . . . . . . 4237 1 100 . 1 1 10 10 PRO HA H 1 4.24 0.02 . 1 . . . . . . . . 4237 1 101 . 1 1 10 10 PRO HB2 H 1 2.39 0.02 . 2 . . . . . . . . 4237 1 102 . 1 1 10 10 PRO HB3 H 1 2.22 0.02 . 2 . . . . . . . . 4237 1 103 . 1 1 10 10 PRO HG2 H 1 1.95 0.02 . 1 . . . . . . . . 4237 1 104 . 1 1 10 10 PRO HG3 H 1 1.95 0.02 . 1 . . . . . . . . 4237 1 105 . 1 1 10 10 PRO HD2 H 1 3.69 0.02 . 1 . . . . . . . . 4237 1 106 . 1 1 10 10 PRO HD3 H 1 3.69 0.02 . 1 . . . . . . . . 4237 1 107 . 1 1 10 10 PRO C C 13 179.8 0.1 . 1 . . . . . . . . 4237 1 108 . 1 1 10 10 PRO CA C 13 67.1 0.1 . 1 . . . . . . . . 4237 1 109 . 1 1 10 10 PRO CB C 13 31.4 0.1 . 1 . . . . . . . . 4237 1 110 . 1 1 10 10 PRO CG C 13 29.1 0.1 . 1 . . . . . . . . 4237 1 111 . 1 1 10 10 PRO CD C 13 50.4 0.1 . 1 . . . . . . . . 4237 1 112 . 1 1 11 11 GLN H H 1 7.55 0.02 . 1 . . . . . . . . 4237 1 113 . 1 1 11 11 GLN HA H 1 4.06 0.02 . 1 . . . . . . . . 4237 1 114 . 1 1 11 11 GLN HB2 H 1 2.32 0.02 . 2 . . . . . . . . 4237 1 115 . 1 1 11 11 GLN HB3 H 1 2.20 0.02 . 2 . . . . . . . . 4237 1 116 . 1 1 11 11 GLN HG2 H 1 2.59 0.02 . 1 . . . . . . . . 4237 1 117 . 1 1 11 11 GLN HG3 H 1 2.59 0.02 . 1 . . . . . . . . 4237 1 118 . 1 1 11 11 GLN HE21 H 1 6.98 0.02 . 2 . . . . . . . . 4237 1 119 . 1 1 11 11 GLN HE22 H 1 7.77 0.02 . 2 . . . . . . . . 4237 1 120 . 1 1 11 11 GLN C C 13 177.3 0.1 . 1 . . . . . . . . 4237 1 121 . 1 1 11 11 GLN CA C 13 59.1 0.1 . 1 . . . . . . . . 4237 1 122 . 1 1 11 11 GLN CB C 13 28.7 0.1 . 1 . . . . . . . . 4237 1 123 . 1 1 11 11 GLN CG C 13 35.2 0.1 . 1 . . . . . . . . 4237 1 124 . 1 1 11 11 GLN CD C 13 181.0 0.1 . 1 . . . . . . . . 4237 1 125 . 1 1 11 11 GLN N N 15 118.1 0.1 . 1 . . . . . . . . 4237 1 126 . 1 1 11 11 GLN NE2 N 15 113.7 0.1 . 1 . . . . . . . . 4237 1 127 . 1 1 12 12 LEU H H 1 8.14 0.02 . 1 . . . . . . . . 4237 1 128 . 1 1 12 12 LEU HA H 1 3.87 0.02 . 1 . . . . . . . . 4237 1 129 . 1 1 12 12 LEU HB2 H 1 1.86 0.02 . 2 . . . . . . . . 4237 1 130 . 1 1 12 12 LEU HB3 H 1 1.49 0.02 . 2 . . . . . . . . 4237 1 131 . 1 1 12 12 LEU HG H 1 1.75 0.02 . 1 . . . . . . . . 4237 1 132 . 1 1 12 12 LEU HD11 H 1 1.01 0.02 . 2 . . . . . . . . 4237 1 133 . 1 1 12 12 LEU HD12 H 1 1.01 0.02 . 2 . . . . . . . . 4237 1 134 . 1 1 12 12 LEU HD13 H 1 1.01 0.02 . 2 . . . . . . . . 4237 1 135 . 1 1 12 12 LEU HD21 H 1 0.91 0.02 . 2 . . . . . . . . 4237 1 136 . 1 1 12 12 LEU HD22 H 1 0.91 0.02 . 2 . . . . . . . . 4237 1 137 . 1 1 12 12 LEU HD23 H 1 0.91 0.02 . 2 . . . . . . . . 4237 1 138 . 1 1 12 12 LEU C C 13 178.3 0.1 . 1 . . . . . . . . 4237 1 139 . 1 1 12 12 LEU CA C 13 58.9 0.1 . 1 . . . . . . . . 4237 1 140 . 1 1 12 12 LEU CB C 13 41.9 0.1 . 1 . . . . . . . . 4237 1 141 . 1 1 12 12 LEU CG C 13 27.7 0.1 . 1 . . . . . . . . 4237 1 142 . 1 1 12 12 LEU CD1 C 13 26.9 0.1 . 2 . . . . . . . . 4237 1 143 . 1 1 12 12 LEU CD2 C 13 25.5 0.1 . 2 . . . . . . . . 4237 1 144 . 1 1 12 12 LEU N N 15 121.4 0.1 . 1 . . . . . . . . 4237 1 145 . 1 1 13 13 ARG H H 1 8.69 0.02 . 1 . . . . . . . . 4237 1 146 . 1 1 13 13 ARG HA H 1 3.68 0.02 . 1 . . . . . . . . 4237 1 147 . 1 1 13 13 ARG HB2 H 1 1.98 0.02 . 2 . . . . . . . . 4237 1 148 . 1 1 13 13 ARG HB3 H 1 1.82 0.02 . 2 . . . . . . . . 4237 1 149 . 1 1 13 13 ARG HG2 H 1 1.58 0.02 . 1 . . . . . . . . 4237 1 150 . 1 1 13 13 ARG HG3 H 1 1.58 0.02 . 1 . . . . . . . . 4237 1 151 . 1 1 13 13 ARG HD2 H 1 3.24 0.02 . 1 . . . . . . . . 4237 1 152 . 1 1 13 13 ARG HD3 H 1 3.24 0.02 . 1 . . . . . . . . 4237 1 153 . 1 1 13 13 ARG HE H 1 7.14 0.02 . 1 . . . . . . . . 4237 1 154 . 1 1 13 13 ARG C C 13 177.6 0.1 . 1 . . . . . . . . 4237 1 155 . 1 1 13 13 ARG CA C 13 61.3 0.1 . 1 . . . . . . . . 4237 1 156 . 1 1 13 13 ARG CB C 13 30.7 0.1 . 1 . . . . . . . . 4237 1 157 . 1 1 13 13 ARG CG C 13 28.8 0.1 . 1 . . . . . . . . 4237 1 158 . 1 1 13 13 ARG CD C 13 44.4 0.1 . 1 . . . . . . . . 4237 1 159 . 1 1 13 13 ARG N N 15 117.5 0.1 . 1 . . . . . . . . 4237 1 160 . 1 1 14 14 LYS H H 1 7.31 0.02 . 1 . . . . . . . . 4237 1 161 . 1 1 14 14 LYS HA H 1 4.02 0.02 . 1 . . . . . . . . 4237 1 162 . 1 1 14 14 LYS HB2 H 1 2.08 0.02 . 2 . . . . . . . . 4237 1 163 . 1 1 14 14 LYS HB3 H 1 1.81 0.02 . 2 . . . . . . . . 4237 1 164 . 1 1 14 14 LYS HG2 H 1 1.55 0.02 . 1 . . . . . . . . 4237 1 165 . 1 1 14 14 LYS HG3 H 1 1.55 0.02 . 1 . . . . . . . . 4237 1 166 . 1 1 14 14 LYS HD2 H 1 1.67 0.02 . 1 . . . . . . . . 4237 1 167 . 1 1 14 14 LYS HD3 H 1 1.67 0.02 . 1 . . . . . . . . 4237 1 168 . 1 1 14 14 LYS HE2 H 1 3.09 0.02 . 1 . . . . . . . . 4237 1 169 . 1 1 14 14 LYS HE3 H 1 3.09 0.02 . 1 . . . . . . . . 4237 1 170 . 1 1 14 14 LYS C C 13 179.0 0.1 . 1 . . . . . . . . 4237 1 171 . 1 1 14 14 LYS CA C 13 60.4 0.1 . 1 . . . . . . . . 4237 1 172 . 1 1 14 14 LYS CB C 13 32.8 0.1 . 1 . . . . . . . . 4237 1 173 . 1 1 14 14 LYS CG C 13 25.4 0.1 . 1 . . . . . . . . 4237 1 174 . 1 1 14 14 LYS CD C 13 30.0 0.1 . 1 . . . . . . . . 4237 1 175 . 1 1 14 14 LYS CE C 13 42.6 0.1 . 1 . . . . . . . . 4237 1 176 . 1 1 14 14 LYS N N 15 118.7 0.1 . 1 . . . . . . . . 4237 1 177 . 1 1 15 15 ASP H H 1 8.50 0.02 . 1 . . . . . . . . 4237 1 178 . 1 1 15 15 ASP HA H 1 4.51 0.02 . 1 . . . . . . . . 4237 1 179 . 1 1 15 15 ASP HB2 H 1 3.08 0.02 . 2 . . . . . . . . 4237 1 180 . 1 1 15 15 ASP HB3 H 1 2.86 0.02 . 2 . . . . . . . . 4237 1 181 . 1 1 15 15 ASP C C 13 180.0 0.1 . 1 . . . . . . . . 4237 1 182 . 1 1 15 15 ASP CA C 13 57.8 0.1 . 1 . . . . . . . . 4237 1 183 . 1 1 15 15 ASP CB C 13 42.0 0.1 . 1 . . . . . . . . 4237 1 184 . 1 1 15 15 ASP N N 15 121.0 0.1 . 1 . . . . . . . . 4237 1 185 . 1 1 16 16 ILE H H 1 8.72 0.02 . 1 . . . . . . . . 4237 1 186 . 1 1 16 16 ILE HA H 1 3.80 0.02 . 1 . . . . . . . . 4237 1 187 . 1 1 16 16 ILE HB H 1 2.09 0.02 . 1 . . . . . . . . 4237 1 188 . 1 1 16 16 ILE HG12 H 1 1.89 0.02 . 2 . . . . . . . . 4237 1 189 . 1 1 16 16 ILE HG13 H 1 1.23 0.02 . 2 . . . . . . . . 4237 1 190 . 1 1 16 16 ILE HG21 H 1 0.89 0.02 . 1 . . . . . . . . 4237 1 191 . 1 1 16 16 ILE HG22 H 1 0.89 0.02 . 1 . . . . . . . . 4237 1 192 . 1 1 16 16 ILE HG23 H 1 0.89 0.02 . 1 . . . . . . . . 4237 1 193 . 1 1 16 16 ILE HD11 H 1 0.81 0.02 . 1 . . . . . . . . 4237 1 194 . 1 1 16 16 ILE HD12 H 1 0.81 0.02 . 1 . . . . . . . . 4237 1 195 . 1 1 16 16 ILE HD13 H 1 0.81 0.02 . 1 . . . . . . . . 4237 1 196 . 1 1 16 16 ILE C C 13 177.6 0.1 . 1 . . . . . . . . 4237 1 197 . 1 1 16 16 ILE CA C 13 65.3 0.1 . 1 . . . . . . . . 4237 1 198 . 1 1 16 16 ILE CB C 13 37.5 0.1 . 1 . . . . . . . . 4237 1 199 . 1 1 16 16 ILE CG1 C 13 30.0 0.1 . 1 . . . . . . . . 4237 1 200 . 1 1 16 16 ILE CG2 C 13 18.3 0.1 . 1 . . . . . . . . 4237 1 201 . 1 1 16 16 ILE CD1 C 13 13.6 0.1 . 1 . . . . . . . . 4237 1 202 . 1 1 16 16 ILE N N 15 120.5 0.1 . 1 . . . . . . . . 4237 1 203 . 1 1 17 17 LEU H H 1 8.16 0.02 . 1 . . . . . . . . 4237 1 204 . 1 1 17 17 LEU HA H 1 4.04 0.02 . 1 . . . . . . . . 4237 1 205 . 1 1 17 17 LEU HB2 H 1 2.00 0.02 . 2 . . . . . . . . 4237 1 206 . 1 1 17 17 LEU HB3 H 1 1.80 0.02 . 2 . . . . . . . . 4237 1 207 . 1 1 17 17 LEU HG H 1 1.88 0.02 . 1 . . . . . . . . 4237 1 208 . 1 1 17 17 LEU HD11 H 1 0.97 0.02 . 1 . . . . . . . . 4237 1 209 . 1 1 17 17 LEU HD12 H 1 0.97 0.02 . 1 . . . . . . . . 4237 1 210 . 1 1 17 17 LEU HD13 H 1 0.97 0.02 . 1 . . . . . . . . 4237 1 211 . 1 1 17 17 LEU HD21 H 1 0.97 0.02 . 1 . . . . . . . . 4237 1 212 . 1 1 17 17 LEU HD22 H 1 0.97 0.02 . 1 . . . . . . . . 4237 1 213 . 1 1 17 17 LEU HD23 H 1 0.97 0.02 . 1 . . . . . . . . 4237 1 214 . 1 1 17 17 LEU C C 13 178.8 0.1 . 1 . . . . . . . . 4237 1 215 . 1 1 17 17 LEU CA C 13 59.1 0.1 . 1 . . . . . . . . 4237 1 216 . 1 1 17 17 LEU CB C 13 41.6 0.1 . 1 . . . . . . . . 4237 1 217 . 1 1 17 17 LEU CG C 13 27.9 0.1 . 1 . . . . . . . . 4237 1 218 . 1 1 17 17 LEU CD1 C 13 25.5 0.1 . 2 . . . . . . . . 4237 1 219 . 1 1 17 17 LEU CD2 C 13 24.9 0.1 . 2 . . . . . . . . 4237 1 220 . 1 1 17 17 LEU N N 15 121.0 0.1 . 1 . . . . . . . . 4237 1 221 . 1 1 18 18 GLU H H 1 7.96 0.02 . 1 . . . . . . . . 4237 1 222 . 1 1 18 18 GLU HA H 1 4.04 0.02 . 1 . . . . . . . . 4237 1 223 . 1 1 18 18 GLU HB2 H 1 2.32 0.02 . 1 . . . . . . . . 4237 1 224 . 1 1 18 18 GLU HB3 H 1 2.32 0.02 . 1 . . . . . . . . 4237 1 225 . 1 1 18 18 GLU HG2 H 1 2.56 0.02 . 1 . . . . . . . . 4237 1 226 . 1 1 18 18 GLU HG3 H 1 2.56 0.02 . 1 . . . . . . . . 4237 1 227 . 1 1 18 18 GLU C C 13 179.4 0.1 . 1 . . . . . . . . 4237 1 228 . 1 1 18 18 GLU CA C 13 60.2 0.1 . 1 . . . . . . . . 4237 1 229 . 1 1 18 18 GLU CB C 13 30.0 0.1 . 1 . . . . . . . . 4237 1 230 . 1 1 18 18 GLU CG C 13 37.0 0.1 . 1 . . . . . . . . 4237 1 231 . 1 1 18 18 GLU N N 15 117.9 0.1 . 1 . . . . . . . . 4237 1 232 . 1 1 19 19 VAL H H 1 7.63 0.02 . 1 . . . . . . . . 4237 1 233 . 1 1 19 19 VAL HA H 1 3.92 0.02 . 1 . . . . . . . . 4237 1 234 . 1 1 19 19 VAL HB H 1 2.45 0.02 . 1 . . . . . . . . 4237 1 235 . 1 1 19 19 VAL HG11 H 1 1.23 0.02 . 1 . . . . . . . . 4237 1 236 . 1 1 19 19 VAL HG12 H 1 1.23 0.02 . 1 . . . . . . . . 4237 1 237 . 1 1 19 19 VAL HG13 H 1 1.23 0.02 . 1 . . . . . . . . 4237 1 238 . 1 1 19 19 VAL HG21 H 1 1.23 0.02 . 1 . . . . . . . . 4237 1 239 . 1 1 19 19 VAL HG22 H 1 1.23 0.02 . 1 . . . . . . . . 4237 1 240 . 1 1 19 19 VAL HG23 H 1 1.23 0.02 . 1 . . . . . . . . 4237 1 241 . 1 1 19 19 VAL C C 13 178.4 0.1 . 1 . . . . . . . . 4237 1 242 . 1 1 19 19 VAL CA C 13 66.6 0.1 . 1 . . . . . . . . 4237 1 243 . 1 1 19 19 VAL CB C 13 32.0 0.1 . 1 . . . . . . . . 4237 1 244 . 1 1 19 19 VAL CG1 C 13 23.8 0.1 . 2 . . . . . . . . 4237 1 245 . 1 1 19 19 VAL CG2 C 13 23.7 0.1 . 2 . . . . . . . . 4237 1 246 . 1 1 19 19 VAL N N 15 117.7 0.1 . 1 . . . . . . . . 4237 1 247 . 1 1 20 20 ILE H H 1 8.39 0.02 . 1 . . . . . . . . 4237 1 248 . 1 1 20 20 ILE HA H 1 3.73 0.02 . 1 . . . . . . . . 4237 1 249 . 1 1 20 20 ILE HB H 1 2.06 0.02 . 1 . . . . . . . . 4237 1 250 . 1 1 20 20 ILE HG12 H 1 2.03 0.02 . 2 . . . . . . . . 4237 1 251 . 1 1 20 20 ILE HG13 H 1 1.16 0.02 . 2 . . . . . . . . 4237 1 252 . 1 1 20 20 ILE HG21 H 1 0.98 0.02 . 1 . . . . . . . . 4237 1 253 . 1 1 20 20 ILE HG22 H 1 0.98 0.02 . 1 . . . . . . . . 4237 1 254 . 1 1 20 20 ILE HG23 H 1 0.98 0.02 . 1 . . . . . . . . 4237 1 255 . 1 1 20 20 ILE HD11 H 1 0.90 0.02 . 1 . . . . . . . . 4237 1 256 . 1 1 20 20 ILE HD12 H 1 0.90 0.02 . 1 . . . . . . . . 4237 1 257 . 1 1 20 20 ILE HD13 H 1 0.90 0.02 . 1 . . . . . . . . 4237 1 258 . 1 1 20 20 ILE C C 13 178.6 0.1 . 1 . . . . . . . . 4237 1 259 . 1 1 20 20 ILE CA C 13 66.6 0.1 . 1 . . . . . . . . 4237 1 260 . 1 1 20 20 ILE CB C 13 38.5 0.1 . 1 . . . . . . . . 4237 1 261 . 1 1 20 20 ILE CG1 C 13 30.1 0.1 . 1 . . . . . . . . 4237 1 262 . 1 1 20 20 ILE CG2 C 13 18.6 0.1 . 1 . . . . . . . . 4237 1 263 . 1 1 20 20 ILE CD1 C 13 15.6 0.1 . 1 . . . . . . . . 4237 1 264 . 1 1 20 20 ILE N N 15 119.5 0.1 . 1 . . . . . . . . 4237 1 265 . 1 1 21 21 CYS H H 1 8.03 0.02 . 1 . . . . . . . . 4237 1 266 . 1 1 21 21 CYS HA H 1 4.90 0.02 . 1 . . . . . . . . 4237 1 267 . 1 1 21 21 CYS HB2 H 1 3.11 0.02 . 1 . . . . . . . . 4237 1 268 . 1 1 21 21 CYS HB3 H 1 3.11 0.02 . 1 . . . . . . . . 4237 1 269 . 1 1 21 21 CYS C C 13 175.6 0.1 . 1 . . . . . . . . 4237 1 270 . 1 1 21 21 CYS CA C 13 62.4 0.1 . 1 . . . . . . . . 4237 1 271 . 1 1 21 21 CYS CB C 13 27.7 0.1 . 1 . . . . . . . . 4237 1 272 . 1 1 21 21 CYS N N 15 114.4 0.1 . 1 . . . . . . . . 4237 1 273 . 1 1 22 22 LYS H H 1 7.46 0.02 . 1 . . . . . . . . 4237 1 274 . 1 1 22 22 LYS HA H 1 3.97 0.02 . 1 . . . . . . . . 4237 1 275 . 1 1 22 22 LYS HB2 H 1 1.66 0.02 . 1 . . . . . . . . 4237 1 276 . 1 1 22 22 LYS HB3 H 1 1.66 0.02 . 1 . . . . . . . . 4237 1 277 . 1 1 22 22 LYS HG2 H 1 1.13 0.02 . 1 . . . . . . . . 4237 1 278 . 1 1 22 22 LYS HG3 H 1 1.13 0.02 . 1 . . . . . . . . 4237 1 279 . 1 1 22 22 LYS HD2 H 1 1.48 0.02 . 1 . . . . . . . . 4237 1 280 . 1 1 22 22 LYS HD3 H 1 1.48 0.02 . 1 . . . . . . . . 4237 1 281 . 1 1 22 22 LYS HE2 H 1 2.88 0.02 . 1 . . . . . . . . 4237 1 282 . 1 1 22 22 LYS HE3 H 1 2.88 0.02 . 1 . . . . . . . . 4237 1 283 . 1 1 22 22 LYS C C 13 177.3 0.1 . 1 . . . . . . . . 4237 1 284 . 1 1 22 22 LYS CA C 13 59.1 0.1 . 1 . . . . . . . . 4237 1 285 . 1 1 22 22 LYS CB C 13 32.3 0.1 . 1 . . . . . . . . 4237 1 286 . 1 1 22 22 LYS CG C 13 25.3 0.1 . 1 . . . . . . . . 4237 1 287 . 1 1 22 22 LYS CD C 13 29.8 0.1 . 1 . . . . . . . . 4237 1 288 . 1 1 22 22 LYS CE C 13 42.5 0.1 . 1 . . . . . . . . 4237 1 289 . 1 1 22 22 LYS N N 15 119.5 0.1 . 1 . . . . . . . . 4237 1 290 . 1 1 23 23 TYR H H 1 7.89 0.02 . 1 . . . . . . . . 4237 1 291 . 1 1 23 23 TYR HA H 1 4.23 0.02 . 1 . . . . . . . . 4237 1 292 . 1 1 23 23 TYR HB2 H 1 2.59 0.02 . 2 . . . . . . . . 4237 1 293 . 1 1 23 23 TYR HB3 H 1 2.37 0.02 . 2 . . . . . . . . 4237 1 294 . 1 1 23 23 TYR HD1 H 1 7.25 0.02 . 1 . . . . . . . . 4237 1 295 . 1 1 23 23 TYR HD2 H 1 7.25 0.02 . 1 . . . . . . . . 4237 1 296 . 1 1 23 23 TYR HE1 H 1 6.94 0.02 . 1 . . . . . . . . 4237 1 297 . 1 1 23 23 TYR HE2 H 1 6.94 0.02 . 1 . . . . . . . . 4237 1 298 . 1 1 23 23 TYR C C 13 175.5 0.1 . 1 . . . . . . . . 4237 1 299 . 1 1 23 23 TYR CA C 13 60.1 0.1 . 1 . . . . . . . . 4237 1 300 . 1 1 23 23 TYR CB C 13 41.0 0.1 . 1 . . . . . . . . 4237 1 301 . 1 1 23 23 TYR N N 15 116.2 0.1 . 1 . . . . . . . . 4237 1 302 . 1 1 24 24 VAL H H 1 8.12 0.02 . 1 . . . . . . . . 4237 1 303 . 1 1 24 24 VAL HA H 1 4.29 0.02 . 1 . . . . . . . . 4237 1 304 . 1 1 24 24 VAL HB H 1 1.90 0.02 . 1 . . . . . . . . 4237 1 305 . 1 1 24 24 VAL HG11 H 1 0.84 0.02 . 1 . . . . . . . . 4237 1 306 . 1 1 24 24 VAL HG12 H 1 0.84 0.02 . 1 . . . . . . . . 4237 1 307 . 1 1 24 24 VAL HG13 H 1 0.84 0.02 . 1 . . . . . . . . 4237 1 308 . 1 1 24 24 VAL HG21 H 1 0.84 0.02 . 1 . . . . . . . . 4237 1 309 . 1 1 24 24 VAL HG22 H 1 0.84 0.02 . 1 . . . . . . . . 4237 1 310 . 1 1 24 24 VAL HG23 H 1 0.84 0.02 . 1 . . . . . . . . 4237 1 311 . 1 1 24 24 VAL C C 13 173.1 0.1 . 1 . . . . . . . . 4237 1 312 . 1 1 24 24 VAL CA C 13 60.6 0.1 . 1 . . . . . . . . 4237 1 313 . 1 1 24 24 VAL CB C 13 34.8 0.1 . 1 . . . . . . . . 4237 1 314 . 1 1 24 24 VAL CG1 C 13 21.1 0.1 . 1 . . . . . . . . 4237 1 315 . 1 1 24 24 VAL CG2 C 13 21.1 0.1 . 1 . . . . . . . . 4237 1 316 . 1 1 24 24 VAL N N 15 116.6 0.1 . 1 . . . . . . . . 4237 1 317 . 1 1 25 25 GLN H H 1 8.23 0.02 . 1 . . . . . . . . 4237 1 318 . 1 1 25 25 GLN HA H 1 4.43 0.02 . 1 . . . . . . . . 4237 1 319 . 1 1 25 25 GLN HB2 H 1 2.09 0.02 . 1 . . . . . . . . 4237 1 320 . 1 1 25 25 GLN HB3 H 1 2.09 0.02 . 1 . . . . . . . . 4237 1 321 . 1 1 25 25 GLN HG2 H 1 2.39 0.02 . 1 . . . . . . . . 4237 1 322 . 1 1 25 25 GLN HG3 H 1 2.39 0.02 . 1 . . . . . . . . 4237 1 323 . 1 1 25 25 GLN HE21 H 1 6.84 0.02 . 2 . . . . . . . . 4237 1 324 . 1 1 25 25 GLN HE22 H 1 7.54 0.02 . 2 . . . . . . . . 4237 1 325 . 1 1 25 25 GLN C C 13 175.3 0.1 . 1 . . . . . . . . 4237 1 326 . 1 1 25 25 GLN CA C 13 56.4 0.1 . 1 . . . . . . . . 4237 1 327 . 1 1 25 25 GLN CB C 13 28.2 0.1 . 1 . . . . . . . . 4237 1 328 . 1 1 25 25 GLN CG C 13 34.4 0.1 . 1 . . . . . . . . 4237 1 329 . 1 1 25 25 GLN CD C 13 180.7 0.1 . 1 . . . . . . . . 4237 1 330 . 1 1 25 25 GLN N N 15 123.6 0.1 . 1 . . . . . . . . 4237 1 331 . 1 1 25 25 GLN NE2 N 15 113.0 0.1 . 1 . . . . . . . . 4237 1 332 . 1 1 26 26 ILE H H 1 7.50 0.02 . 1 . . . . . . . . 4237 1 333 . 1 1 26 26 ILE HA H 1 4.65 0.02 . 1 . . . . . . . . 4237 1 334 . 1 1 26 26 ILE HB H 1 1.92 0.02 . 1 . . . . . . . . 4237 1 335 . 1 1 26 26 ILE HG12 H 1 1.36 0.02 . 2 . . . . . . . . 4237 1 336 . 1 1 26 26 ILE HG13 H 1 1.15 0.02 . 2 . . . . . . . . 4237 1 337 . 1 1 26 26 ILE HG21 H 1 0.94 0.02 . 1 . . . . . . . . 4237 1 338 . 1 1 26 26 ILE HG22 H 1 0.94 0.02 . 1 . . . . . . . . 4237 1 339 . 1 1 26 26 ILE HG23 H 1 0.94 0.02 . 1 . . . . . . . . 4237 1 340 . 1 1 26 26 ILE HD11 H 1 0.84 0.02 . 1 . . . . . . . . 4237 1 341 . 1 1 26 26 ILE HD12 H 1 0.84 0.02 . 1 . . . . . . . . 4237 1 342 . 1 1 26 26 ILE HD13 H 1 0.84 0.02 . 1 . . . . . . . . 4237 1 343 . 1 1 26 26 ILE C C 13 174.3 0.1 . 1 . . . . . . . . 4237 1 344 . 1 1 26 26 ILE CA C 13 59.5 0.1 . 1 . . . . . . . . 4237 1 345 . 1 1 26 26 ILE CB C 13 42.4 0.1 . 1 . . . . . . . . 4237 1 346 . 1 1 26 26 ILE CG1 C 13 27.0 0.1 . 1 . . . . . . . . 4237 1 347 . 1 1 26 26 ILE CG2 C 13 19.5 0.1 . 1 . . . . . . . . 4237 1 348 . 1 1 26 26 ILE CD1 C 13 15.7 0.1 . 1 . . . . . . . . 4237 1 349 . 1 1 26 26 ILE N N 15 119.9 0.1 . 1 . . . . . . . . 4237 1 350 . 1 1 27 27 ASP H H 1 8.20 0.02 . 1 . . . . . . . . 4237 1 351 . 1 1 27 27 ASP HA H 1 5.05 0.02 . 1 . . . . . . . . 4237 1 352 . 1 1 27 27 ASP HB2 H 1 2.92 0.02 . 2 . . . . . . . . 4237 1 353 . 1 1 27 27 ASP HB3 H 1 2.59 0.02 . 2 . . . . . . . . 4237 1 354 . 1 1 27 27 ASP CA C 13 52.0 0.1 . 1 . . . . . . . . 4237 1 355 . 1 1 27 27 ASP N N 15 123.8 0.1 . 1 . . . . . . . . 4237 1 356 . 1 1 28 28 PRO HA H 1 4.21 0.02 . 1 . . . . . . . . 4237 1 357 . 1 1 28 28 PRO HB2 H 1 2.40 0.02 . 1 . . . . . . . . 4237 1 358 . 1 1 28 28 PRO HB3 H 1 2.40 0.02 . 1 . . . . . . . . 4237 1 359 . 1 1 28 28 PRO HG2 H 1 2.22 0.02 . 2 . . . . . . . . 4237 1 360 . 1 1 28 28 PRO HG3 H 1 2.11 0.02 . 2 . . . . . . . . 4237 1 361 . 1 1 28 28 PRO HD2 H 1 4.04 0.02 . 1 . . . . . . . . 4237 1 362 . 1 1 28 28 PRO HD3 H 1 4.04 0.02 . 1 . . . . . . . . 4237 1 363 . 1 1 28 28 PRO C C 13 178.2 0.1 . 1 . . . . . . . . 4237 1 364 . 1 1 28 28 PRO CA C 13 65.7 0.1 . 1 . . . . . . . . 4237 1 365 . 1 1 28 28 PRO CB C 13 32.7 0.1 . 1 . . . . . . . . 4237 1 366 . 1 1 28 28 PRO CG C 13 28.0 0.1 . 1 . . . . . . . . 4237 1 367 . 1 1 28 28 PRO CD C 13 51.5 0.1 . 1 . . . . . . . . 4237 1 368 . 1 1 29 29 GLU H H 1 8.68 0.02 . 1 . . . . . . . . 4237 1 369 . 1 1 29 29 GLU HA H 1 4.29 0.02 . 1 . . . . . . . . 4237 1 370 . 1 1 29 29 GLU HB2 H 1 2.19 0.02 . 2 . . . . . . . . 4237 1 371 . 1 1 29 29 GLU HB3 H 1 2.08 0.02 . 2 . . . . . . . . 4237 1 372 . 1 1 29 29 GLU HG2 H 1 2.42 0.02 . 1 . . . . . . . . 4237 1 373 . 1 1 29 29 GLU HG3 H 1 2.42 0.02 . 1 . . . . . . . . 4237 1 374 . 1 1 29 29 GLU C C 13 177.8 0.1 . 1 . . . . . . . . 4237 1 375 . 1 1 29 29 GLU CA C 13 58.5 0.1 . 1 . . . . . . . . 4237 1 376 . 1 1 29 29 GLU CB C 13 29.3 0.1 . 1 . . . . . . . . 4237 1 377 . 1 1 29 29 GLU CG C 13 37.1 0.1 . 1 . . . . . . . . 4237 1 378 . 1 1 30 30 MET H H 1 8.17 0.02 . 1 . . . . . . . . 4237 1 379 . 1 1 30 30 MET HA H 1 4.61 0.02 . 1 . . . . . . . . 4237 1 380 . 1 1 30 30 MET HB2 H 1 2.60 0.02 . 2 . . . . . . . . 4237 1 381 . 1 1 30 30 MET HB3 H 1 2.40 0.02 . 2 . . . . . . . . 4237 1 382 . 1 1 30 30 MET HG2 H 1 2.87 0.02 . 2 . . . . . . . . 4237 1 383 . 1 1 30 30 MET HG3 H 1 2.72 0.02 . 2 . . . . . . . . 4237 1 384 . 1 1 30 30 MET C C 13 175.1 0.1 . 1 . . . . . . . . 4237 1 385 . 1 1 30 30 MET CA C 13 55.8 0.1 . 1 . . . . . . . . 4237 1 386 . 1 1 30 30 MET CB C 13 32.8 0.1 . 1 . . . . . . . . 4237 1 387 . 1 1 30 30 MET CG C 13 33.8 0.1 . 1 . . . . . . . . 4237 1 388 . 1 1 30 30 MET N N 15 115.4 0.1 . 1 . . . . . . . . 4237 1 389 . 1 1 31 31 VAL H H 1 7.39 0.02 . 1 . . . . . . . . 4237 1 390 . 1 1 31 31 VAL HA H 1 4.82 0.02 . 1 . . . . . . . . 4237 1 391 . 1 1 31 31 VAL HB H 1 2.18 0.02 . 1 . . . . . . . . 4237 1 392 . 1 1 31 31 VAL HG11 H 1 1.02 0.02 . 2 . . . . . . . . 4237 1 393 . 1 1 31 31 VAL HG12 H 1 1.02 0.02 . 2 . . . . . . . . 4237 1 394 . 1 1 31 31 VAL HG13 H 1 1.02 0.02 . 2 . . . . . . . . 4237 1 395 . 1 1 31 31 VAL HG21 H 1 0.91 0.02 . 2 . . . . . . . . 4237 1 396 . 1 1 31 31 VAL HG22 H 1 0.91 0.02 . 2 . . . . . . . . 4237 1 397 . 1 1 31 31 VAL HG23 H 1 0.91 0.02 . 2 . . . . . . . . 4237 1 398 . 1 1 31 31 VAL C C 13 175.6 0.1 . 1 . . . . . . . . 4237 1 399 . 1 1 31 31 VAL CA C 13 61.8 0.1 . 1 . . . . . . . . 4237 1 400 . 1 1 31 31 VAL CB C 13 34.0 0.1 . 1 . . . . . . . . 4237 1 401 . 1 1 31 31 VAL CG1 C 13 23.1 0.1 . 2 . . . . . . . . 4237 1 402 . 1 1 31 31 VAL CG2 C 13 21.7 0.1 . 2 . . . . . . . . 4237 1 403 . 1 1 31 31 VAL N N 15 120.3 0.1 . 1 . . . . . . . . 4237 1 404 . 1 1 32 32 THR H H 1 8.98 0.02 . 1 . . . . . . . . 4237 1 405 . 1 1 32 32 THR HA H 1 4.78 0.02 . 1 . . . . . . . . 4237 1 406 . 1 1 32 32 THR HB H 1 4.21 0.02 . 1 . . . . . . . . 4237 1 407 . 1 1 32 32 THR HG21 H 1 1.25 0.02 . 1 . . . . . . . . 4237 1 408 . 1 1 32 32 THR HG22 H 1 1.25 0.02 . 1 . . . . . . . . 4237 1 409 . 1 1 32 32 THR HG23 H 1 1.25 0.02 . 1 . . . . . . . . 4237 1 410 . 1 1 32 32 THR C C 13 173.3 0.1 . 1 . . . . . . . . 4237 1 411 . 1 1 32 32 THR CA C 13 61.4 0.1 . 1 . . . . . . . . 4237 1 412 . 1 1 32 32 THR CB C 13 71.4 0.1 . 1 . . . . . . . . 4237 1 413 . 1 1 32 32 THR CG2 C 13 28.0 0.1 . 1 . . . . . . . . 4237 1 414 . 1 1 32 32 THR N N 15 121.6 0.1 . 1 . . . . . . . . 4237 1 415 . 1 1 33 33 VAL H H 1 8.69 0.02 . 1 . . . . . . . . 4237 1 416 . 1 1 33 33 VAL HA H 1 5.08 0.02 . 1 . . . . . . . . 4237 1 417 . 1 1 33 33 VAL HB H 1 1.98 0.02 . 1 . . . . . . . . 4237 1 418 . 1 1 33 33 VAL HG11 H 1 0.87 0.02 . 1 . . . . . . . . 4237 1 419 . 1 1 33 33 VAL HG12 H 1 0.87 0.02 . 1 . . . . . . . . 4237 1 420 . 1 1 33 33 VAL HG13 H 1 0.87 0.02 . 1 . . . . . . . . 4237 1 421 . 1 1 33 33 VAL HG21 H 1 0.87 0.02 . 1 . . . . . . . . 4237 1 422 . 1 1 33 33 VAL HG22 H 1 0.87 0.02 . 1 . . . . . . . . 4237 1 423 . 1 1 33 33 VAL HG23 H 1 0.87 0.02 . 1 . . . . . . . . 4237 1 424 . 1 1 33 33 VAL C C 13 174.7 0.1 . 1 . . . . . . . . 4237 1 425 . 1 1 33 33 VAL CA C 13 61.3 0.1 . 1 . . . . . . . . 4237 1 426 . 1 1 33 33 VAL CB C 13 34.8 0.1 . 1 . . . . . . . . 4237 1 427 . 1 1 33 33 VAL CG1 C 13 22.0 0.1 . 1 . . . . . . . . 4237 1 428 . 1 1 33 33 VAL CG2 C 13 22.0 0.1 . 1 . . . . . . . . 4237 1 429 . 1 1 33 33 VAL N N 15 124.0 0.1 . 1 . . . . . . . . 4237 1 430 . 1 1 34 34 GLN H H 1 9.05 0.02 . 1 . . . . . . . . 4237 1 431 . 1 1 34 34 GLN HA H 1 4.80 0.02 . 1 . . . . . . . . 4237 1 432 . 1 1 34 34 GLN HB2 H 1 2.16 0.02 . 2 . . . . . . . . 4237 1 433 . 1 1 34 34 GLN HB3 H 1 2.03 0.02 . 2 . . . . . . . . 4237 1 434 . 1 1 34 34 GLN HG2 H 1 2.31 0.02 . 1 . . . . . . . . 4237 1 435 . 1 1 34 34 GLN HG3 H 1 2.31 0.02 . 1 . . . . . . . . 4237 1 436 . 1 1 34 34 GLN HE21 H 1 6.74 0.02 . 2 . . . . . . . . 4237 1 437 . 1 1 34 34 GLN HE22 H 1 7.45 0.02 . 2 . . . . . . . . 4237 1 438 . 1 1 34 34 GLN C C 13 172.9 0.1 . 1 . . . . . . . . 4237 1 439 . 1 1 34 34 GLN CA C 13 54.9 0.1 . 1 . . . . . . . . 4237 1 440 . 1 1 34 34 GLN CB C 13 33.2 0.1 . 1 . . . . . . . . 4237 1 441 . 1 1 34 34 GLN CG C 13 33.6 0.1 . 1 . . . . . . . . 4237 1 442 . 1 1 34 34 GLN CD C 13 180.3 0.1 . 1 . . . . . . . . 4237 1 443 . 1 1 34 34 GLN N N 15 125.1 0.1 . 1 . . . . . . . . 4237 1 444 . 1 1 34 34 GLN NE2 N 15 111.4 0.1 . 1 . . . . . . . . 4237 1 445 . 1 1 35 35 LEU H H 1 8.74 0.02 . 1 . . . . . . . . 4237 1 446 . 1 1 35 35 LEU HA H 1 5.37 0.02 . 1 . . . . . . . . 4237 1 447 . 1 1 35 35 LEU HB2 H 1 1.80 0.02 . 2 . . . . . . . . 4237 1 448 . 1 1 35 35 LEU HB3 H 1 1.39 0.02 . 2 . . . . . . . . 4237 1 449 . 1 1 35 35 LEU HG H 1 1.53 0.02 . 1 . . . . . . . . 4237 1 450 . 1 1 35 35 LEU HD11 H 1 0.93 0.02 . 1 . . . . . . . . 4237 1 451 . 1 1 35 35 LEU HD12 H 1 0.93 0.02 . 1 . . . . . . . . 4237 1 452 . 1 1 35 35 LEU HD13 H 1 0.93 0.02 . 1 . . . . . . . . 4237 1 453 . 1 1 35 35 LEU HD21 H 1 0.93 0.02 . 1 . . . . . . . . 4237 1 454 . 1 1 35 35 LEU HD22 H 1 0.93 0.02 . 1 . . . . . . . . 4237 1 455 . 1 1 35 35 LEU HD23 H 1 0.93 0.02 . 1 . . . . . . . . 4237 1 456 . 1 1 35 35 LEU C C 13 176.1 0.1 . 1 . . . . . . . . 4237 1 457 . 1 1 35 35 LEU CA C 13 54.2 0.1 . 1 . . . . . . . . 4237 1 458 . 1 1 35 35 LEU CB C 13 44.5 0.1 . 1 . . . . . . . . 4237 1 459 . 1 1 35 35 LEU CG C 13 28.2 0.1 . 1 . . . . . . . . 4237 1 460 . 1 1 35 35 LEU CD1 C 13 26.0 0.1 . 2 . . . . . . . . 4237 1 461 . 1 1 35 35 LEU CD2 C 13 25.3 0.1 . 2 . . . . . . . . 4237 1 462 . 1 1 35 35 LEU N N 15 124.9 0.1 . 1 . . . . . . . . 4237 1 463 . 1 1 36 36 GLU H H 1 9.15 0.02 . 1 . . . . . . . . 4237 1 464 . 1 1 36 36 GLU HA H 1 4.74 0.02 . 1 . . . . . . . . 4237 1 465 . 1 1 36 36 GLU HB2 H 1 2.04 0.02 . 2 . . . . . . . . 4237 1 466 . 1 1 36 36 GLU HB3 H 1 1.91 0.02 . 2 . . . . . . . . 4237 1 467 . 1 1 36 36 GLU HG2 H 1 2.29 0.02 . 2 . . . . . . . . 4237 1 468 . 1 1 36 36 GLU HG3 H 1 2.16 0.02 . 2 . . . . . . . . 4237 1 469 . 1 1 36 36 GLU C C 13 175.0 0.1 . 1 . . . . . . . . 4237 1 470 . 1 1 36 36 GLU CA C 13 55.3 0.1 . 1 . . . . . . . . 4237 1 471 . 1 1 36 36 GLU CB C 13 32.9 0.1 . 1 . . . . . . . . 4237 1 472 . 1 1 36 36 GLU CG C 13 36.0 0.1 . 1 . . . . . . . . 4237 1 473 . 1 1 36 36 GLU N N 15 126.3 0.1 . 1 . . . . . . . . 4237 1 474 . 1 1 37 37 GLN H H 1 8.75 0.02 . 1 . . . . . . . . 4237 1 475 . 1 1 37 37 GLN HA H 1 4.98 0.02 . 1 . . . . . . . . 4237 1 476 . 1 1 37 37 GLN HB2 H 1 2.02 0.02 . 1 . . . . . . . . 4237 1 477 . 1 1 37 37 GLN HB3 H 1 2.02 0.02 . 1 . . . . . . . . 4237 1 478 . 1 1 37 37 GLN HG2 H 1 2.34 0.02 . 1 . . . . . . . . 4237 1 479 . 1 1 37 37 GLN HG3 H 1 2.34 0.02 . 1 . . . . . . . . 4237 1 480 . 1 1 37 37 GLN HE21 H 1 6.79 0.02 . 2 . . . . . . . . 4237 1 481 . 1 1 37 37 GLN HE22 H 1 7.51 0.02 . 2 . . . . . . . . 4237 1 482 . 1 1 37 37 GLN C C 13 175.8 0.1 . 1 . . . . . . . . 4237 1 483 . 1 1 37 37 GLN CA C 13 55.9 0.1 . 1 . . . . . . . . 4237 1 484 . 1 1 37 37 GLN CB C 13 30.6 0.1 . 1 . . . . . . . . 4237 1 485 . 1 1 37 37 GLN CG C 13 34.5 0.1 . 1 . . . . . . . . 4237 1 486 . 1 1 37 37 GLN CD C 13 180.5 0.1 . 1 . . . . . . . . 4237 1 487 . 1 1 37 37 GLN N N 15 124.2 0.1 . 1 . . . . . . . . 4237 1 488 . 1 1 37 37 GLN NE2 N 15 117.7 0.1 . 1 . . . . . . . . 4237 1 489 . 1 1 38 38 LYS H H 1 8.79 0.02 . 1 . . . . . . . . 4237 1 490 . 1 1 38 38 LYS HA H 1 4.66 0.02 . 1 . . . . . . . . 4237 1 491 . 1 1 38 38 LYS HB2 H 1 1.96 0.02 . 1 . . . . . . . . 4237 1 492 . 1 1 38 38 LYS HB3 H 1 1.96 0.02 . 1 . . . . . . . . 4237 1 493 . 1 1 38 38 LYS HG2 H 1 1.44 0.02 . 1 . . . . . . . . 4237 1 494 . 1 1 38 38 LYS HG3 H 1 1.44 0.02 . 1 . . . . . . . . 4237 1 495 . 1 1 38 38 LYS HD2 H 1 1.71 0.02 . 1 . . . . . . . . 4237 1 496 . 1 1 38 38 LYS HD3 H 1 1.71 0.02 . 1 . . . . . . . . 4237 1 497 . 1 1 38 38 LYS HE2 H 1 2.97 0.02 . 1 . . . . . . . . 4237 1 498 . 1 1 38 38 LYS HE3 H 1 2.97 0.02 . 1 . . . . . . . . 4237 1 499 . 1 1 38 38 LYS C C 13 175.8 0.1 . 1 . . . . . . . . 4237 1 500 . 1 1 38 38 LYS CA C 13 55.3 0.1 . 1 . . . . . . . . 4237 1 501 . 1 1 38 38 LYS CB C 13 34.8 0.1 . 1 . . . . . . . . 4237 1 502 . 1 1 38 38 LYS CG C 13 25.2 0.1 . 1 . . . . . . . . 4237 1 503 . 1 1 38 38 LYS CD C 13 29.2 0.1 . 1 . . . . . . . . 4237 1 504 . 1 1 38 38 LYS CE C 13 42.5 0.1 . 1 . . . . . . . . 4237 1 505 . 1 1 38 38 LYS N N 15 124.7 0.1 . 1 . . . . . . . . 4237 1 506 . 1 1 39 39 ASP H H 1 8.34 0.02 . 1 . . . . . . . . 4237 1 507 . 1 1 39 39 ASP HA H 1 4.53 0.02 . 1 . . . . . . . . 4237 1 508 . 1 1 39 39 ASP HB2 H 1 2.73 0.02 . 1 . . . . . . . . 4237 1 509 . 1 1 39 39 ASP HB3 H 1 2.73 0.02 . 1 . . . . . . . . 4237 1 510 . 1 1 39 39 ASP C C 13 176.3 0.1 . 1 . . . . . . . . 4237 1 511 . 1 1 39 39 ASP CA C 13 55.8 0.1 . 1 . . . . . . . . 4237 1 512 . 1 1 39 39 ASP CB C 13 41.4 0.1 . 1 . . . . . . . . 4237 1 513 . 1 1 39 39 ASP N N 15 120.1 0.1 . 1 . . . . . . . . 4237 1 514 . 1 1 40 40 GLY H H 1 8.55 0.02 . 1 . . . . . . . . 4237 1 515 . 1 1 40 40 GLY HA2 H 1 4.11 0.02 . 2 . . . . . . . . 4237 1 516 . 1 1 40 40 GLY HA3 H 1 3.77 0.02 . 2 . . . . . . . . 4237 1 517 . 1 1 40 40 GLY C C 13 174.6 0.1 . 1 . . . . . . . . 4237 1 518 . 1 1 40 40 GLY CA C 13 46.4 0.1 . 1 . . . . . . . . 4237 1 519 . 1 1 40 40 GLY N N 15 109.0 0.1 . 1 . . . . . . . . 4237 1 520 . 1 1 41 41 ASP H H 1 8.43 0.02 . 1 . . . . . . . . 4237 1 521 . 1 1 41 41 ASP HA H 1 4.63 0.02 . 1 . . . . . . . . 4237 1 522 . 1 1 41 41 ASP HB2 H 1 2.92 0.02 . 2 . . . . . . . . 4237 1 523 . 1 1 41 41 ASP HB3 H 1 2.85 0.02 . 2 . . . . . . . . 4237 1 524 . 1 1 41 41 ASP C C 13 175.1 0.1 . 1 . . . . . . . . 4237 1 525 . 1 1 41 41 ASP CA C 13 55.3 0.1 . 1 . . . . . . . . 4237 1 526 . 1 1 41 41 ASP CB C 13 40.7 0.1 . 1 . . . . . . . . 4237 1 527 . 1 1 41 41 ASP N N 15 118.1 0.1 . 1 . . . . . . . . 4237 1 528 . 1 1 42 42 ILE H H 1 7.44 0.02 . 1 . . . . . . . . 4237 1 529 . 1 1 42 42 ILE HA H 1 4.50 0.02 . 1 . . . . . . . . 4237 1 530 . 1 1 42 42 ILE HB H 1 1.81 0.02 . 1 . . . . . . . . 4237 1 531 . 1 1 42 42 ILE HG12 H 1 1.53 0.02 . 2 . . . . . . . . 4237 1 532 . 1 1 42 42 ILE HG13 H 1 1.22 0.02 . 2 . . . . . . . . 4237 1 533 . 1 1 42 42 ILE HG21 H 1 0.93 0.02 . 1 . . . . . . . . 4237 1 534 . 1 1 42 42 ILE HG22 H 1 0.93 0.02 . 1 . . . . . . . . 4237 1 535 . 1 1 42 42 ILE HG23 H 1 0.93 0.02 . 1 . . . . . . . . 4237 1 536 . 1 1 42 42 ILE HD11 H 1 0.93 0.02 . 1 . . . . . . . . 4237 1 537 . 1 1 42 42 ILE HD12 H 1 0.93 0.02 . 1 . . . . . . . . 4237 1 538 . 1 1 42 42 ILE HD13 H 1 0.93 0.02 . 1 . . . . . . . . 4237 1 539 . 1 1 42 42 ILE C C 13 175.5 0.1 . 1 . . . . . . . . 4237 1 540 . 1 1 42 42 ILE CA C 13 60.8 0.1 . 1 . . . . . . . . 4237 1 541 . 1 1 42 42 ILE CB C 13 40.5 0.1 . 1 . . . . . . . . 4237 1 542 . 1 1 42 42 ILE CG1 C 13 27.5 0.1 . 1 . . . . . . . . 4237 1 543 . 1 1 42 42 ILE CG2 C 13 18.6 0.1 . 1 . . . . . . . . 4237 1 544 . 1 1 42 42 ILE CD1 C 13 13.3 0.1 . 1 . . . . . . . . 4237 1 545 . 1 1 42 42 ILE N N 15 118.5 0.1 . 1 . . . . . . . . 4237 1 546 . 1 1 43 43 SER H H 1 8.76 0.02 . 1 . . . . . . . . 4237 1 547 . 1 1 43 43 SER HA H 1 5.25 0.02 . 1 . . . . . . . . 4237 1 548 . 1 1 43 43 SER HB2 H 1 3.78 0.02 . 1 . . . . . . . . 4237 1 549 . 1 1 43 43 SER HB3 H 1 3.78 0.02 . 1 . . . . . . . . 4237 1 550 . 1 1 43 43 SER C C 13 172.2 0.1 . 1 . . . . . . . . 4237 1 551 . 1 1 43 43 SER CA C 13 58.3 0.1 . 1 . . . . . . . . 4237 1 552 . 1 1 43 43 SER CB C 13 66.1 0.1 . 1 . . . . . . . . 4237 1 553 . 1 1 43 43 SER N N 15 122.0 0.1 . 1 . . . . . . . . 4237 1 554 . 1 1 44 44 ILE H H 1 8.97 0.02 . 1 . . . . . . . . 4237 1 555 . 1 1 44 44 ILE HA H 1 4.94 0.02 . 1 . . . . . . . . 4237 1 556 . 1 1 44 44 ILE HB H 1 1.86 0.02 . 1 . . . . . . . . 4237 1 557 . 1 1 44 44 ILE HG12 H 1 1.48 0.02 . 2 . . . . . . . . 4237 1 558 . 1 1 44 44 ILE HG13 H 1 1.20 0.02 . 2 . . . . . . . . 4237 1 559 . 1 1 44 44 ILE HG21 H 1 0.85 0.02 . 4 . . . . . . . . 4237 1 560 . 1 1 44 44 ILE HG22 H 1 0.85 0.02 . 4 . . . . . . . . 4237 1 561 . 1 1 44 44 ILE HG23 H 1 0.85 0.02 . 4 . . . . . . . . 4237 1 562 . 1 1 44 44 ILE HD11 H 1 0.84 0.02 . 4 . . . . . . . . 4237 1 563 . 1 1 44 44 ILE HD12 H 1 0.84 0.02 . 4 . . . . . . . . 4237 1 564 . 1 1 44 44 ILE HD13 H 1 0.84 0.02 . 4 . . . . . . . . 4237 1 565 . 1 1 44 44 ILE C C 13 175.4 0.1 . 1 . . . . . . . . 4237 1 566 . 1 1 44 44 ILE CA C 13 59.9 0.1 . 1 . . . . . . . . 4237 1 567 . 1 1 44 44 ILE CB C 13 41.3 0.1 . 1 . . . . . . . . 4237 1 568 . 1 1 44 44 ILE CG1 C 13 28.0 0.1 . 1 . . . . . . . . 4237 1 569 . 1 1 44 44 ILE CG2 C 13 18.4 0.1 . 1 . . . . . . . . 4237 1 570 . 1 1 44 44 ILE CD1 C 13 14.0 0.1 . 1 . . . . . . . . 4237 1 571 . 1 1 44 44 ILE N N 15 122.6 0.1 . 1 . . . . . . . . 4237 1 572 . 1 1 45 45 LEU H H 1 9.23 0.02 . 1 . . . . . . . . 4237 1 573 . 1 1 45 45 LEU HA H 1 4.93 0.02 . 1 . . . . . . . . 4237 1 574 . 1 1 45 45 LEU HB2 H 1 1.96 0.02 . 2 . . . . . . . . 4237 1 575 . 1 1 45 45 LEU HB3 H 1 1.42 0.02 . 2 . . . . . . . . 4237 1 576 . 1 1 45 45 LEU HG H 1 1.53 0.02 . 1 . . . . . . . . 4237 1 577 . 1 1 45 45 LEU HD11 H 1 0.86 0.02 . 1 . . . . . . . . 4237 1 578 . 1 1 45 45 LEU HD12 H 1 0.86 0.02 . 1 . . . . . . . . 4237 1 579 . 1 1 45 45 LEU HD13 H 1 0.86 0.02 . 1 . . . . . . . . 4237 1 580 . 1 1 45 45 LEU HD21 H 1 0.86 0.02 . 1 . . . . . . . . 4237 1 581 . 1 1 45 45 LEU HD22 H 1 0.86 0.02 . 1 . . . . . . . . 4237 1 582 . 1 1 45 45 LEU HD23 H 1 0.86 0.02 . 1 . . . . . . . . 4237 1 583 . 1 1 45 45 LEU C C 13 174.5 0.1 . 1 . . . . . . . . 4237 1 584 . 1 1 45 45 LEU CA C 13 54.8 0.1 . 1 . . . . . . . . 4237 1 585 . 1 1 45 45 LEU CB C 13 44.4 0.1 . 1 . . . . . . . . 4237 1 586 . 1 1 45 45 LEU CG C 13 27.9 0.1 . 1 . . . . . . . . 4237 1 587 . 1 1 45 45 LEU CD1 C 13 26.0 0.1 . 2 . . . . . . . . 4237 1 588 . 1 1 45 45 LEU CD2 C 13 25.0 0.1 . 2 . . . . . . . . 4237 1 589 . 1 1 45 45 LEU N N 15 129.3 0.1 . 1 . . . . . . . . 4237 1 590 . 1 1 46 46 GLU H H 1 9.21 0.02 . 1 . . . . . . . . 4237 1 591 . 1 1 46 46 GLU HA H 1 5.28 0.02 . 1 . . . . . . . . 4237 1 592 . 1 1 46 46 GLU HB2 H 1 2.01 0.02 . 1 . . . . . . . . 4237 1 593 . 1 1 46 46 GLU HB3 H 1 2.01 0.02 . 1 . . . . . . . . 4237 1 594 . 1 1 46 46 GLU HG2 H 1 2.35 0.02 . 1 . . . . . . . . 4237 1 595 . 1 1 46 46 GLU HG3 H 1 2.35 0.02 . 1 . . . . . . . . 4237 1 596 . 1 1 46 46 GLU C C 13 174.9 0.1 . 1 . . . . . . . . 4237 1 597 . 1 1 46 46 GLU CA C 13 54.8 0.1 . 1 . . . . . . . . 4237 1 598 . 1 1 46 46 GLU CB C 13 31.3 0.1 . 1 . . . . . . . . 4237 1 599 . 1 1 46 46 GLU CG C 13 34.4 0.1 . 1 . . . . . . . . 4237 1 600 . 1 1 46 46 GLU N N 15 126.9 0.1 . 1 . . . . . . . . 4237 1 601 . 1 1 47 47 LEU H H 1 9.13 0.02 . 1 . . . . . . . . 4237 1 602 . 1 1 47 47 LEU HA H 1 5.52 0.02 . 1 . . . . . . . . 4237 1 603 . 1 1 47 47 LEU HB2 H 1 1.77 0.02 . 2 . . . . . . . . 4237 1 604 . 1 1 47 47 LEU HB3 H 1 1.57 0.02 . 2 . . . . . . . . 4237 1 605 . 1 1 47 47 LEU HG H 1 1.75 0.02 . 1 . . . . . . . . 4237 1 606 . 1 1 47 47 LEU HD11 H 1 0.89 0.02 . 1 . . . . . . . . 4237 1 607 . 1 1 47 47 LEU HD12 H 1 0.89 0.02 . 1 . . . . . . . . 4237 1 608 . 1 1 47 47 LEU HD13 H 1 0.89 0.02 . 1 . . . . . . . . 4237 1 609 . 1 1 47 47 LEU HD21 H 1 0.89 0.02 . 1 . . . . . . . . 4237 1 610 . 1 1 47 47 LEU HD22 H 1 0.89 0.02 . 1 . . . . . . . . 4237 1 611 . 1 1 47 47 LEU HD23 H 1 0.89 0.02 . 1 . . . . . . . . 4237 1 612 . 1 1 47 47 LEU C C 13 174.9 0.1 . 1 . . . . . . . . 4237 1 613 . 1 1 47 47 LEU CA C 13 54.4 0.1 . 1 . . . . . . . . 4237 1 614 . 1 1 47 47 LEU CB C 13 45.5 0.1 . 1 . . . . . . . . 4237 1 615 . 1 1 47 47 LEU CG C 13 28.7 0.1 . 1 . . . . . . . . 4237 1 616 . 1 1 47 47 LEU CD1 C 13 27.1 0.1 . 2 . . . . . . . . 4237 1 617 . 1 1 47 47 LEU CD2 C 13 26.4 0.1 . 2 . . . . . . . . 4237 1 618 . 1 1 47 47 LEU N N 15 127.1 0.1 . 1 . . . . . . . . 4237 1 619 . 1 1 48 48 ASN H H 1 8.96 0.02 . 1 . . . . . . . . 4237 1 620 . 1 1 48 48 ASN HA H 1 5.82 0.02 . 1 . . . . . . . . 4237 1 621 . 1 1 48 48 ASN HB2 H 1 2.77 0.02 . 2 . . . . . . . . 4237 1 622 . 1 1 48 48 ASN HB3 H 1 2.60 0.02 . 2 . . . . . . . . 4237 1 623 . 1 1 48 48 ASN HD21 H 1 6.76 0.02 . 2 . . . . . . . . 4237 1 624 . 1 1 48 48 ASN HD22 H 1 7.24 0.02 . 2 . . . . . . . . 4237 1 625 . 1 1 48 48 ASN C C 13 174.1 0.1 . 1 . . . . . . . . 4237 1 626 . 1 1 48 48 ASN CA C 13 52.7 0.1 . 1 . . . . . . . . 4237 1 627 . 1 1 48 48 ASN CB C 13 42.3 0.1 . 1 . . . . . . . . 4237 1 628 . 1 1 48 48 ASN CG C 13 176.2 0.1 . 1 . . . . . . . . 4237 1 629 . 1 1 48 48 ASN N N 15 123.4 0.1 . 1 . . . . . . . . 4237 1 630 . 1 1 48 48 ASN ND2 N 15 111.5 0.1 . 1 . . . . . . . . 4237 1 631 . 1 1 49 49 VAL H H 1 9.25 0.02 . 1 . . . . . . . . 4237 1 632 . 1 1 49 49 VAL HA H 1 4.83 0.02 . 1 . . . . . . . . 4237 1 633 . 1 1 49 49 VAL HB H 1 2.25 0.02 . 1 . . . . . . . . 4237 1 634 . 1 1 49 49 VAL HG11 H 1 0.96 0.02 . 1 . . . . . . . . 4237 1 635 . 1 1 49 49 VAL HG12 H 1 0.96 0.02 . 1 . . . . . . . . 4237 1 636 . 1 1 49 49 VAL HG13 H 1 0.96 0.02 . 1 . . . . . . . . 4237 1 637 . 1 1 49 49 VAL HG21 H 1 0.96 0.02 . 1 . . . . . . . . 4237 1 638 . 1 1 49 49 VAL HG22 H 1 0.96 0.02 . 1 . . . . . . . . 4237 1 639 . 1 1 49 49 VAL HG23 H 1 0.96 0.02 . 1 . . . . . . . . 4237 1 640 . 1 1 49 49 VAL C C 13 174.4 0.1 . 1 . . . . . . . . 4237 1 641 . 1 1 49 49 VAL CA C 13 61.0 0.1 . 1 . . . . . . . . 4237 1 642 . 1 1 49 49 VAL CB C 13 35.2 0.1 . 1 . . . . . . . . 4237 1 643 . 1 1 49 49 VAL CG1 C 13 21.6 0.1 . 1 . . . . . . . . 4237 1 644 . 1 1 49 49 VAL CG2 C 13 21.6 0.1 . 1 . . . . . . . . 4237 1 645 . 1 1 49 49 VAL N N 15 123.2 0.1 . 1 . . . . . . . . 4237 1 646 . 1 1 50 50 THR H H 1 8.44 0.02 . 1 . . . . . . . . 4237 1 647 . 1 1 50 50 THR HA H 1 4.57 0.02 . 1 . . . . . . . . 4237 1 648 . 1 1 50 50 THR HB H 1 4.24 0.02 . 1 . . . . . . . . 4237 1 649 . 1 1 50 50 THR HG21 H 1 1.27 0.02 . 1 . . . . . . . . 4237 1 650 . 1 1 50 50 THR HG22 H 1 1.27 0.02 . 1 . . . . . . . . 4237 1 651 . 1 1 50 50 THR HG23 H 1 1.27 0.02 . 1 . . . . . . . . 4237 1 652 . 1 1 50 50 THR C C 13 173.4 0.1 . 1 . . . . . . . . 4237 1 653 . 1 1 50 50 THR CA C 13 64.0 0.1 . 1 . . . . . . . . 4237 1 654 . 1 1 50 50 THR CB C 13 69.4 0.1 . 1 . . . . . . . . 4237 1 655 . 1 1 50 50 THR CG2 C 13 22.4 0.1 . 1 . . . . . . . . 4237 1 656 . 1 1 50 50 THR N N 15 125.7 0.1 . 1 . . . . . . . . 4237 1 657 . 1 1 51 51 LEU H H 1 8.77 0.02 . 1 . . . . . . . . 4237 1 658 . 1 1 51 51 LEU HA H 1 4.72 0.02 . 1 . . . . . . . . 4237 1 659 . 1 1 51 51 LEU HB2 H 1 1.80 0.02 . 2 . . . . . . . . 4237 1 660 . 1 1 51 51 LEU HB3 H 1 1.49 0.02 . 2 . . . . . . . . 4237 1 661 . 1 1 51 51 LEU HG H 1 1.69 0.02 . 1 . . . . . . . . 4237 1 662 . 1 1 51 51 LEU HD11 H 1 0.88 0.02 . 1 . . . . . . . . 4237 1 663 . 1 1 51 51 LEU HD12 H 1 0.88 0.02 . 1 . . . . . . . . 4237 1 664 . 1 1 51 51 LEU HD13 H 1 0.88 0.02 . 1 . . . . . . . . 4237 1 665 . 1 1 51 51 LEU HD21 H 1 0.88 0.02 . 1 . . . . . . . . 4237 1 666 . 1 1 51 51 LEU HD22 H 1 0.88 0.02 . 1 . . . . . . . . 4237 1 667 . 1 1 51 51 LEU HD23 H 1 0.88 0.02 . 1 . . . . . . . . 4237 1 668 . 1 1 51 51 LEU CA C 13 52.6 0.1 . 1 . . . . . . . . 4237 1 669 . 1 1 51 51 LEU CB C 13 41.5 0.1 . 1 . . . . . . . . 4237 1 670 . 1 1 51 51 LEU CG C 13 27.1 0.1 . 1 . . . . . . . . 4237 1 671 . 1 1 51 51 LEU N N 15 127.8 0.1 . 1 . . . . . . . . 4237 1 672 . 1 1 52 52 PRO HA H 1 4.70 0.02 . 1 . . . . . . . . 4237 1 673 . 1 1 52 52 PRO HB2 H 1 2.41 0.02 . 1 . . . . . . . . 4237 1 674 . 1 1 52 52 PRO HB3 H 1 2.41 0.02 . 1 . . . . . . . . 4237 1 675 . 1 1 52 52 PRO HG2 H 1 2.09 0.02 . 1 . . . . . . . . 4237 1 676 . 1 1 52 52 PRO HG3 H 1 2.09 0.02 . 1 . . . . . . . . 4237 1 677 . 1 1 52 52 PRO HD2 H 1 3.91 0.02 . 2 . . . . . . . . 4237 1 678 . 1 1 52 52 PRO HD3 H 1 3.67 0.02 . 2 . . . . . . . . 4237 1 679 . 1 1 52 52 PRO C C 13 176.8 0.1 . 1 . . . . . . . . 4237 1 680 . 1 1 52 52 PRO CA C 13 62.9 0.1 . 1 . . . . . . . . 4237 1 681 . 1 1 52 52 PRO CB C 13 32.8 0.1 . 1 . . . . . . . . 4237 1 682 . 1 1 52 52 PRO CG C 13 27.6 0.1 . 1 . . . . . . . . 4237 1 683 . 1 1 52 52 PRO CD C 13 51.0 0.1 . 1 . . . . . . . . 4237 1 684 . 1 1 53 53 GLU H H 1 8.46 0.02 . 1 . . . . . . . . 4237 1 685 . 1 1 53 53 GLU HA H 1 4.35 0.02 . 1 . . . . . . . . 4237 1 686 . 1 1 53 53 GLU HB2 H 1 2.09 0.02 . 2 . . . . . . . . 4237 1 687 . 1 1 53 53 GLU HB3 H 1 2.01 0.02 . 2 . . . . . . . . 4237 1 688 . 1 1 53 53 GLU HG2 H 1 2.42 0.02 . 1 . . . . . . . . 4237 1 689 . 1 1 53 53 GLU HG3 H 1 2.42 0.02 . 1 . . . . . . . . 4237 1 690 . 1 1 53 53 GLU C C 13 176.3 0.1 . 1 . . . . . . . . 4237 1 691 . 1 1 53 53 GLU CA C 13 57.0 0.1 . 1 . . . . . . . . 4237 1 692 . 1 1 53 53 GLU CB C 13 30.6 0.1 . 1 . . . . . . . . 4237 1 693 . 1 1 53 53 GLU CG C 13 36.0 0.1 . 1 . . . . . . . . 4237 1 694 . 1 1 53 53 GLU N N 15 121.6 0.1 . 1 . . . . . . . . 4237 1 695 . 1 1 54 54 ALA H H 1 8.43 0.02 . 1 . . . . . . . . 4237 1 696 . 1 1 54 54 ALA HA H 1 4.44 0.02 . 1 . . . . . . . . 4237 1 697 . 1 1 54 54 ALA HB1 H 1 1.50 0.02 . 1 . . . . . . . . 4237 1 698 . 1 1 54 54 ALA HB2 H 1 1.50 0.02 . 1 . . . . . . . . 4237 1 699 . 1 1 54 54 ALA HB3 H 1 1.50 0.02 . 1 . . . . . . . . 4237 1 700 . 1 1 54 54 ALA C C 13 177.7 0.1 . 1 . . . . . . . . 4237 1 701 . 1 1 54 54 ALA CA C 13 53.0 0.1 . 1 . . . . . . . . 4237 1 702 . 1 1 54 54 ALA CB C 13 20.0 0.1 . 1 . . . . . . . . 4237 1 703 . 1 1 54 54 ALA N N 15 125.9 0.1 . 1 . . . . . . . . 4237 1 704 . 1 1 55 55 GLU H H 1 8.46 0.02 . 1 . . . . . . . . 4237 1 705 . 1 1 55 55 GLU HA H 1 4.36 0.02 . 1 . . . . . . . . 4237 1 706 . 1 1 55 55 GLU HB2 H 1 2.13 0.02 . 2 . . . . . . . . 4237 1 707 . 1 1 55 55 GLU HB3 H 1 2.05 0.02 . 2 . . . . . . . . 4237 1 708 . 1 1 55 55 GLU HG2 H 1 2.38 0.02 . 1 . . . . . . . . 4237 1 709 . 1 1 55 55 GLU HG3 H 1 2.38 0.02 . 1 . . . . . . . . 4237 1 710 . 1 1 55 55 GLU C C 13 176.6 0.1 . 1 . . . . . . . . 4237 1 711 . 1 1 55 55 GLU CA C 13 57.1 0.1 . 1 . . . . . . . . 4237 1 712 . 1 1 55 55 GLU CB C 13 30.9 0.1 . 1 . . . . . . . . 4237 1 713 . 1 1 55 55 GLU CG C 13 36.5 0.1 . 1 . . . . . . . . 4237 1 714 . 1 1 55 55 GLU N N 15 121.0 0.1 . 1 . . . . . . . . 4237 1 715 . 1 1 56 56 GLU H H 1 8.56 0.02 . 1 . . . . . . . . 4237 1 716 . 1 1 56 56 GLU HA H 1 4.39 0.02 . 1 . . . . . . . . 4237 1 717 . 1 1 56 56 GLU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 4237 1 718 . 1 1 56 56 GLU HB3 H 1 2.03 0.02 . 2 . . . . . . . . 4237 1 719 . 1 1 56 56 GLU HG2 H 1 2.36 0.02 . 1 . . . . . . . . 4237 1 720 . 1 1 56 56 GLU HG3 H 1 2.36 0.02 . 1 . . . . . . . . 4237 1 721 . 1 1 56 56 GLU C C 13 176.2 0.1 . 1 . . . . . . . . 4237 1 722 . 1 1 56 56 GLU CA C 13 56.9 0.1 . 1 . . . . . . . . 4237 1 723 . 1 1 56 56 GLU CB C 13 30.8 0.1 . 1 . . . . . . . . 4237 1 724 . 1 1 56 56 GLU CG C 13 36.6 0.1 . 1 . . . . . . . . 4237 1 725 . 1 1 56 56 GLU N N 15 122.0 0.1 . 1 . . . . . . . . 4237 1 726 . 1 1 57 57 LEU H H 1 8.29 0.02 . 1 . . . . . . . . 4237 1 727 . 1 1 57 57 LEU HA H 1 4.45 0.02 . 1 . . . . . . . . 4237 1 728 . 1 1 57 57 LEU HB2 H 1 1.69 0.02 . 1 . . . . . . . . 4237 1 729 . 1 1 57 57 LEU HB3 H 1 1.69 0.02 . 1 . . . . . . . . 4237 1 730 . 1 1 57 57 LEU HG H 1 1.69 0.02 . 1 . . . . . . . . 4237 1 731 . 1 1 57 57 LEU HD11 H 1 0.97 0.02 . 1 . . . . . . . . 4237 1 732 . 1 1 57 57 LEU HD12 H 1 0.97 0.02 . 1 . . . . . . . . 4237 1 733 . 1 1 57 57 LEU HD13 H 1 0.97 0.02 . 1 . . . . . . . . 4237 1 734 . 1 1 57 57 LEU HD21 H 1 0.97 0.02 . 1 . . . . . . . . 4237 1 735 . 1 1 57 57 LEU HD22 H 1 0.97 0.02 . 1 . . . . . . . . 4237 1 736 . 1 1 57 57 LEU HD23 H 1 0.97 0.02 . 1 . . . . . . . . 4237 1 737 . 1 1 57 57 LEU C C 13 176.3 0.1 . 1 . . . . . . . . 4237 1 738 . 1 1 57 57 LEU CA C 13 55.5 0.1 . 1 . . . . . . . . 4237 1 739 . 1 1 57 57 LEU CB C 13 42.5 0.1 . 1 . . . . . . . . 4237 1 740 . 1 1 57 57 LEU CG C 13 27.4 0.1 . 1 . . . . . . . . 4237 1 741 . 1 1 57 57 LEU CD1 C 13 25.5 0.1 . 2 . . . . . . . . 4237 1 742 . 1 1 57 57 LEU CD2 C 13 23.8 0.1 . 2 . . . . . . . . 4237 1 743 . 1 1 57 57 LEU N N 15 124.2 0.1 . 1 . . . . . . . . 4237 1 744 . 1 1 58 58 LYS H H 1 7.88 0.02 . 1 . . . . . . . . 4237 1 745 . 1 1 58 58 LYS HA H 1 4.23 0.02 . 1 . . . . . . . . 4237 1 746 . 1 1 58 58 LYS HB2 H 1 1.88 0.02 . 2 . . . . . . . . 4237 1 747 . 1 1 58 58 LYS HB3 H 1 1.75 0.02 . 2 . . . . . . . . 4237 1 748 . 1 1 58 58 LYS HG2 H 1 1.44 0.02 . 1 . . . . . . . . 4237 1 749 . 1 1 58 58 LYS HG3 H 1 1.44 0.02 . 1 . . . . . . . . 4237 1 750 . 1 1 58 58 LYS HD2 H 1 1.73 0.02 . 1 . . . . . . . . 4237 1 751 . 1 1 58 58 LYS HD3 H 1 1.73 0.02 . 1 . . . . . . . . 4237 1 752 . 1 1 58 58 LYS HE2 H 1 3.00 0.02 . 1 . . . . . . . . 4237 1 753 . 1 1 58 58 LYS HE3 H 1 3.00 0.02 . 1 . . . . . . . . 4237 1 754 . 1 1 58 58 LYS CA C 13 57.6 0.1 . 1 . . . . . . . . 4237 1 755 . 1 1 58 58 LYS CB C 13 34.0 0.1 . 1 . . . . . . . . 4237 1 756 . 1 1 58 58 LYS N N 15 127.7 0.1 . 1 . . . . . . . . 4237 1 stop_ save_