data_5682 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5682 _Entry.Title ; Solution Structure of 30S Ribosomal Protein S27E from Archaeoglobus Fulgidus: RS27_ARCFU: a novel fold ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-01-31 _Entry.Accession_date 2003-01-31 _Entry.Last_release_date 2004-06-30 _Entry.Original_release_date 2004-06-30 _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 C. 'Herve Du Penhoat' . . . 5682 2 H. Atreya . S. . 5682 3 Y. Shen . . . 5682 4 G. Liu . . . 5682 5 T. Acton . . . 5682 6 R. Xiao . . . 5682 7 G. Montelione . T. . 5682 8 T. Szyperski . . . 5682 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5682 coupling_constants 1 5682 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 408 5682 '13C chemical shifts' 239 5682 '15N chemical shifts' 58 5682 'coupling constants' 33 5682 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 . . 2004-06-30 2003-01-31 original author . 5682 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5682 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15096641 _Citation.Full_citation . _Citation.Title ; Solution Structure of 30S Ribosomal Protein S27E from Archaeoglobus Fulgidus: RS27_ARCFU: a novel fold ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1407 _Citation.Page_last 1416 _Citation.Year 2004 _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 C. 'Herve Du Penhoat' . . . 5682 1 2 H. Atreya . S. . 5682 1 3 Y. Shen . . . 5682 1 4 G. Liu . . . 5682 1 5 T. Acton . . . 5682 1 6 R. Xiao . . . 5682 1 7 J. Dang . . . 5682 1 8 D. Murray . . . 5682 1 9 G. Montelione . T. . 5682 1 10 T. Szyperski . . . 5682 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'STRUCTURAL GENOMICS' 5682 1 'BETA SHEET' 5682 1 'NESGC TARGET GR2' 5682 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RS27_ARCFU _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RS27_ARCFU _Assembly.Entry_ID 5682 _Assembly.ID 1 _Assembly.Name '30S ribosomal protein S27e' _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 'all free' _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 monomer 5682 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 '30S RIBOSOMAL PROTEIN S27E' 1 $S27e . . . native . . . . . 5682 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 1NVH . . . . . . 5682 1 yes PDB 1QXF . . . . . . 5682 1 yes SWISS-PROT RS27_ARCFU . . . . . ; There are 6 HIS residues at the C-terminal end as His-tags and two extra residues at the C-terminal end; where the SWISS-PROT RS27_ARCFU only contained 58 residues. ; 5682 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID '30S ribosomal protein S27e' system 5682 1 RS27_ARCFU abbreviation 5682 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'ribosomal protein of unknown function' 5682 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_S27e _Entity.Sf_category entity _Entity.Sf_framecode S27e _Entity.Entry_ID 5682 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'S27 ribosomal protein' _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 ; MHSRFVKVKCPDCEHEQVIF DHPSTIVKCIICGRTVAEPT GGKGNIKAEIIEYVDQIELE HHHHHH ; _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 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7578 _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 PDB 1QXF . "Solution Structure Of 30s Ribosomal Protein S27e From Archaeoglobus Fulgidus: Gr2, A Nesg Target Protein" . . . . . 100.00 66 100.00 100.00 8.53e-39 . . . . 5682 1 2 no GB AAB89911 . "SSU ribosomal protein S27E (rps27E) [Archaeoglobus fulgidus DSM 4304]" . . . . . 87.88 58 100.00 100.00 4.09e-33 . . . . 5682 1 3 no GB AIG98214 . "Ribosomal protein S27E [Archaeoglobus fulgidus DSM 8774]" . . . . . 87.88 58 100.00 100.00 4.09e-33 . . . . 5682 1 4 no REF NP_070163 . "30S ribosomal protein S27e [Archaeoglobus fulgidus DSM 4304]" . . . . . 87.88 58 100.00 100.00 4.09e-33 . . . . 5682 1 5 no REF WP_010878831 . "30S ribosomal protein S27ae [Archaeoglobus fulgidus]" . . . . . 87.88 58 100.00 100.00 4.09e-33 . . . . 5682 1 6 no SP O28935 . "RecName: Full=30S ribosomal protein S27e [Archaeoglobus fulgidus DSM 4304]" . . . . . 87.88 58 100.00 100.00 4.09e-33 . . . . 5682 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'S27 ribosomal protein' common 5682 1 S27e abbreviation 5682 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 . 5682 1 2 . HIS . 5682 1 3 . SER . 5682 1 4 . ARG . 5682 1 5 . PHE . 5682 1 6 . VAL . 5682 1 7 . LYS . 5682 1 8 . VAL . 5682 1 9 . LYS . 5682 1 10 . CYS . 5682 1 11 . PRO . 5682 1 12 . ASP . 5682 1 13 . CYS . 5682 1 14 . GLU . 5682 1 15 . HIS . 5682 1 16 . GLU . 5682 1 17 . GLN . 5682 1 18 . VAL . 5682 1 19 . ILE . 5682 1 20 . PHE . 5682 1 21 . ASP . 5682 1 22 . HIS . 5682 1 23 . PRO . 5682 1 24 . SER . 5682 1 25 . THR . 5682 1 26 . ILE . 5682 1 27 . VAL . 5682 1 28 . LYS . 5682 1 29 . CYS . 5682 1 30 . ILE . 5682 1 31 . ILE . 5682 1 32 . CYS . 5682 1 33 . GLY . 5682 1 34 . ARG . 5682 1 35 . THR . 5682 1 36 . VAL . 5682 1 37 . ALA . 5682 1 38 . GLU . 5682 1 39 . PRO . 5682 1 40 . THR . 5682 1 41 . GLY . 5682 1 42 . GLY . 5682 1 43 . LYS . 5682 1 44 . GLY . 5682 1 45 . ASN . 5682 1 46 . ILE . 5682 1 47 . LYS . 5682 1 48 . ALA . 5682 1 49 . GLU . 5682 1 50 . ILE . 5682 1 51 . ILE . 5682 1 52 . GLU . 5682 1 53 . TYR . 5682 1 54 . VAL . 5682 1 55 . ASP . 5682 1 56 . GLN . 5682 1 57 . ILE . 5682 1 58 . GLU . 5682 1 59 . LEU . 5682 1 60 . GLU . 5682 1 61 . HIS . 5682 1 62 . HIS . 5682 1 63 . HIS . 5682 1 64 . HIS . 5682 1 65 . HIS . 5682 1 66 . HIS . 5682 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 5682 1 . HIS 2 2 5682 1 . SER 3 3 5682 1 . ARG 4 4 5682 1 . PHE 5 5 5682 1 . VAL 6 6 5682 1 . LYS 7 7 5682 1 . VAL 8 8 5682 1 . LYS 9 9 5682 1 . CYS 10 10 5682 1 . PRO 11 11 5682 1 . ASP 12 12 5682 1 . CYS 13 13 5682 1 . GLU 14 14 5682 1 . HIS 15 15 5682 1 . GLU 16 16 5682 1 . GLN 17 17 5682 1 . VAL 18 18 5682 1 . ILE 19 19 5682 1 . PHE 20 20 5682 1 . ASP 21 21 5682 1 . HIS 22 22 5682 1 . PRO 23 23 5682 1 . SER 24 24 5682 1 . THR 25 25 5682 1 . ILE 26 26 5682 1 . VAL 27 27 5682 1 . LYS 28 28 5682 1 . CYS 29 29 5682 1 . ILE 30 30 5682 1 . ILE 31 31 5682 1 . CYS 32 32 5682 1 . GLY 33 33 5682 1 . ARG 34 34 5682 1 . THR 35 35 5682 1 . VAL 36 36 5682 1 . ALA 37 37 5682 1 . GLU 38 38 5682 1 . PRO 39 39 5682 1 . THR 40 40 5682 1 . GLY 41 41 5682 1 . GLY 42 42 5682 1 . LYS 43 43 5682 1 . GLY 44 44 5682 1 . ASN 45 45 5682 1 . ILE 46 46 5682 1 . LYS 47 47 5682 1 . ALA 48 48 5682 1 . GLU 49 49 5682 1 . ILE 50 50 5682 1 . ILE 51 51 5682 1 . GLU 52 52 5682 1 . TYR 53 53 5682 1 . VAL 54 54 5682 1 . ASP 55 55 5682 1 . GLN 56 56 5682 1 . ILE 57 57 5682 1 . GLU 58 58 5682 1 . LEU 59 59 5682 1 . GLU 60 60 5682 1 . HIS 61 61 5682 1 . HIS 62 62 5682 1 . HIS 63 63 5682 1 . HIS 64 64 5682 1 . HIS 65 65 5682 1 . HIS 66 66 5682 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 5682 _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 $S27e . 2234 organism . 'Archaeoglobus fulgidus' 'Archaeoglobus fulgidus' . . Archaea Fungi Archaeoglobus fulgidus . . . . . . . . . . . . . . . . . . ; The full length GR2 (RS27_ARCFU) gene from Archaeglobus fulgidus was cloned and then expressed in Escherichia Coli. ; . . 5682 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 5682 _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 $S27e . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . ; The full length GR2 (RS27_ARCFU) gene from Archaeglobus fulgidus was cloned and then expressed in Escherichia Coli. ; . . 5682 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 5682 _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 'S27 ribosomal protein' '[U-100% 13C; U-100% 15N]' . . 1 $S27e . . 0.8 . . mM . . . . 5682 1 2 MES . . . . . . . 20 . . mM . . . . 5682 1 3 NaCl . . . . . . . 100 . . mM . . . . 5682 1 4 DTT . . . . . . . 10 . . mM . . . . 5682 1 5 CaCl2 . . . . . . . 5 . . mM . . . . 5682 1 6 NaN3 . . . . . . . 0.02 . . % . . . . 5682 1 7 D2O . . . . . . . 5 . . % . . . . 5682 1 8 H2O . . . . . . . 95 . . % . . . . 5682 1 stop_ save_ save_Sample2 _Sample.Sf_category sample _Sample.Sf_framecode Sample2 _Sample.Entry_ID 5682 _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 'S27 ribosomal protein' '[U-5% 13C; U-90% 15N]' . . 1 $S27e . . 0.8 . . mM . . . . 5682 2 2 MES . . . . . . . 20 . . mM . . . . 5682 2 3 NaCl . . . . . . . 100 . . mM . . . . 5682 2 4 DTT . . . . . . . 10 . . mM . . . . 5682 2 5 CaCl2 . . . . . . . 5 . . mM . . . . 5682 2 6 NaN3 . . . . . . . 0.02 . . % . . . . 5682 2 7 D2O . . . . . . . 5 . . % . . . . 5682 2 8 H2O . . . . . . . 95 . . % . . . . 5682 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 5682 _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 6.5 0.1 na 5682 1 temperature 298 0.5 K 5682 1 pressure 1.0 . atm 5682 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 5682 _Software.ID 1 _Software.Name CYANA _Software.Version 1.05 _Software.Details 'GUNTERT, P.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5682 1 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 5682 _Software.ID 2 _Software.Name DYANA _Software.Version 1.5 _Software.Details 'GUNTERT, P.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5682 2 stop_ save_ save_MOLMOL _Software.Sf_category software _Software.Sf_framecode MOLMOL _Software.Entry_ID 5682 _Software.ID 3 _Software.Name MOLMOL _Software.Version 1.0 _Software.Details 'KORADI, R.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5682 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5682 _Software.ID 4 _Software.Name XEASY _Software.Version 1.3.3 _Software.Details 'BILLETER, M.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5682 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5682 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model UNITYPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5682 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model UNITYPlus _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 5682 _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_1 VARIAN UNITYPlus . 500 . . . 5682 1 2 NMR_spectrometer_2 VARIAN UNITYPlus . 600 . . . 5682 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 5682 _Experiment_list.ID 1 _Experiment_list.Details ; 3D HBHACBCA(CO)NH, 3D HCCH-COSY,3D HBCB(CGCD)HD were Reduced dimensionality experiments published in Szyperski et. al., Proc. Natl. Acad. Sci. USA, Vol.99, pp-8019-8024. ; 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 13C-SEPARATED NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5682 1 2 '3D 15N-SEPARATED NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5682 1 3 '3D HNCACB' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5682 1 4 '3D HCCH-COSY RD' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5682 1 5 '3D HABCAB(CO)NH RD' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5682 1 6 '3D HNHA' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5682 1 7 '3D HNCO' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5682 1 8 '2D [1H-1H] NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5682 1 9 '2D C13HSQC' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5682 1 10 'Constant time gChsqc' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5682 1 11 'non-Constant time gChsqc' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5682 1 12 '3D HNCO' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5682 1 stop_ 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 5682 _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 internal direct 1.000000000 . . . . . . . . . 5682 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5682 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5682 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 5682 _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 1 '3D 13C-SEPARATED NOESY' . . . 5682 1 2 '3D 15N-SEPARATED NOESY' . . . 5682 1 3 '3D HNCACB' . . . 5682 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 CA C 13 56.0 0.1 . 1 . . . . . . . . 5682 1 2 . 1 1 1 1 MET CB C 13 30.3 0.1 . 1 . . . . . . . . 5682 1 3 . 1 1 1 1 MET HE1 H 1 2.04 0.02 . 1 . . . . . . . . 5682 1 4 . 1 1 1 1 MET HE2 H 1 2.04 0.02 . 1 . . . . . . . . 5682 1 5 . 1 1 1 1 MET HE3 H 1 2.04 0.02 . 1 . . . . . . . . 5682 1 6 . 1 1 1 1 MET CE C 13 16.8 0.1 . 1 . . . . . . . . 5682 1 7 . 1 1 1 1 MET C C 13 173.9 0.1 . 1 . . . . . . . . 5682 1 8 . 1 1 2 2 HIS N N 15 125.4 0.1 . 1 . . . . . . . . 5682 1 9 . 1 1 2 2 HIS H H 1 8.12 0.02 . 1 . . . . . . . . 5682 1 10 . 1 1 2 2 HIS CA C 13 57.2 0.1 . 1 . . . . . . . . 5682 1 11 . 1 1 2 2 HIS HA H 1 4.43 0.02 . 1 . . . . . . . . 5682 1 12 . 1 1 2 2 HIS CB C 13 30.3 0.1 . 1 . . . . . . . . 5682 1 13 . 1 1 2 2 HIS HB2 H 1 3.07 0.02 . 2 . . . . . . . . 5682 1 14 . 1 1 2 2 HIS HB3 H 1 3.19 0.02 . 2 . . . . . . . . 5682 1 15 . 1 1 2 2 HIS C C 13 174.6 0.1 . 1 . . . . . . . . 5682 1 16 . 1 1 3 3 SER N N 15 118.2 0.1 . 1 . . . . . . . . 5682 1 17 . 1 1 3 3 SER H H 1 8.26 0.02 . 1 . . . . . . . . 5682 1 18 . 1 1 3 3 SER CA C 13 57.9 0.1 . 1 . . . . . . . . 5682 1 19 . 1 1 3 3 SER HA H 1 4.44 0.02 . 1 . . . . . . . . 5682 1 20 . 1 1 3 3 SER CB C 13 64.3 0.1 . 1 . . . . . . . . 5682 1 21 . 1 1 3 3 SER HB2 H 1 3.41 0.02 . 2 . . . . . . . . 5682 1 22 . 1 1 3 3 SER HB3 H 1 3.70 0.02 . 2 . . . . . . . . 5682 1 23 . 1 1 3 3 SER C C 13 173.5 0.1 . 1 . . . . . . . . 5682 1 24 . 1 1 4 4 ARG N N 15 121.5 0.1 . 1 . . . . . . . . 5682 1 25 . 1 1 4 4 ARG H H 1 8.57 0.02 . 1 . . . . . . . . 5682 1 26 . 1 1 4 4 ARG CA C 13 55.2 0.1 . 1 . . . . . . . . 5682 1 27 . 1 1 4 4 ARG HA H 1 4.65 0.02 . 1 . . . . . . . . 5682 1 28 . 1 1 4 4 ARG CB C 13 33.4 0.1 . 1 . . . . . . . . 5682 1 29 . 1 1 4 4 ARG HB2 H 1 1.74 0.02 . 1 . . . . . . . . 5682 1 30 . 1 1 4 4 ARG HB3 H 1 2.04 0.02 . 1 . . . . . . . . 5682 1 31 . 1 1 4 4 ARG CG C 13 26.8 0.1 . 1 . . . . . . . . 5682 1 32 . 1 1 4 4 ARG HG2 H 1 1.59 0.02 . 1 . . . . . . . . 5682 1 33 . 1 1 4 4 ARG HG3 H 1 1.59 0.02 . 1 . . . . . . . . 5682 1 34 . 1 1 4 4 ARG CD C 13 43.8 0.1 . 1 . . . . . . . . 5682 1 35 . 1 1 4 4 ARG HD2 H 1 3.01 0.02 . 1 . . . . . . . . 5682 1 36 . 1 1 4 4 ARG HD3 H 1 3.01 0.02 . 1 . . . . . . . . 5682 1 37 . 1 1 4 4 ARG C C 13 174.2 0.1 . 1 . . . . . . . . 5682 1 38 . 1 1 5 5 PHE N N 15 118.4 0.1 . 1 . . . . . . . . 5682 1 39 . 1 1 5 5 PHE H H 1 8.59 0.02 . 1 . . . . . . . . 5682 1 40 . 1 1 5 5 PHE CA C 13 57.2 0.1 . 1 . . . . . . . . 5682 1 41 . 1 1 5 5 PHE HA H 1 5.30 0.02 . 1 . . . . . . . . 5682 1 42 . 1 1 5 5 PHE CB C 13 41.0 0.1 . 1 . . . . . . . . 5682 1 43 . 1 1 5 5 PHE HB2 H 1 2.74 0.02 . 1 . . . . . . . . 5682 1 44 . 1 1 5 5 PHE HB3 H 1 2.96 0.02 . 1 . . . . . . . . 5682 1 45 . 1 1 5 5 PHE HD1 H 1 7.11 0.02 . 1 . . . . . . . . 5682 1 46 . 1 1 5 5 PHE HD2 H 1 7.11 0.02 . 1 . . . . . . . . 5682 1 47 . 1 1 5 5 PHE HE1 H 1 7.22 0.02 . 1 . . . . . . . . 5682 1 48 . 1 1 5 5 PHE HE2 H 1 7.22 0.02 . 1 . . . . . . . . 5682 1 49 . 1 1 5 5 PHE C C 13 175.1 0.1 . 1 . . . . . . . . 5682 1 50 . 1 1 6 6 VAL N N 15 119.3 0.1 . 1 . . . . . . . . 5682 1 51 . 1 1 6 6 VAL H H 1 9.40 0.02 . 1 . . . . . . . . 5682 1 52 . 1 1 6 6 VAL CA C 13 59.4 0.1 . 1 . . . . . . . . 5682 1 53 . 1 1 6 6 VAL HA H 1 4.61 0.02 . 1 . . . . . . . . 5682 1 54 . 1 1 6 6 VAL CB C 13 35.7 0.1 . 1 . . . . . . . . 5682 1 55 . 1 1 6 6 VAL HB H 1 1.70 0.02 . 1 . . . . . . . . 5682 1 56 . 1 1 6 6 VAL HG11 H 1 0.64 0.02 . 1 . . . . . . . . 5682 1 57 . 1 1 6 6 VAL HG12 H 1 0.64 0.02 . 1 . . . . . . . . 5682 1 58 . 1 1 6 6 VAL HG13 H 1 0.64 0.02 . 1 . . . . . . . . 5682 1 59 . 1 1 6 6 VAL HG21 H 1 0.50 0.02 . 1 . . . . . . . . 5682 1 60 . 1 1 6 6 VAL HG22 H 1 0.50 0.02 . 1 . . . . . . . . 5682 1 61 . 1 1 6 6 VAL HG23 H 1 0.50 0.02 . 1 . . . . . . . . 5682 1 62 . 1 1 6 6 VAL CG1 C 13 21.4 0.1 . 1 . . . . . . . . 5682 1 63 . 1 1 6 6 VAL CG2 C 13 21.2 0.1 . 1 . . . . . . . . 5682 1 64 . 1 1 6 6 VAL C C 13 172.9 0.1 . 1 . . . . . . . . 5682 1 65 . 1 1 7 7 LYS N N 15 127.3 0.1 . 1 . . . . . . . . 5682 1 66 . 1 1 7 7 LYS H H 1 9.04 0.02 . 1 . . . . . . . . 5682 1 67 . 1 1 7 7 LYS CA C 13 55.2 0.1 . 1 . . . . . . . . 5682 1 68 . 1 1 7 7 LYS HA H 1 4.87 0.02 . 1 . . . . . . . . 5682 1 69 . 1 1 7 7 LYS CB C 13 33.9 0.1 . 1 . . . . . . . . 5682 1 70 . 1 1 7 7 LYS HB2 H 1 1.45 0.02 . 2 . . . . . . . . 5682 1 71 . 1 1 7 7 LYS HB3 H 1 1.80 0.02 . 2 . . . . . . . . 5682 1 72 . 1 1 7 7 LYS CG C 13 25.3 0.1 . 1 . . . . . . . . 5682 1 73 . 1 1 7 7 LYS HG2 H 1 1.11 0.02 . 2 . . . . . . . . 5682 1 74 . 1 1 7 7 LYS HG3 H 1 1.14 0.02 . 2 . . . . . . . . 5682 1 75 . 1 1 7 7 LYS CD C 13 29.4 0.1 . 1 . . . . . . . . 5682 1 76 . 1 1 7 7 LYS HD2 H 1 1.47 0.02 . 1 . . . . . . . . 5682 1 77 . 1 1 7 7 LYS HD3 H 1 1.47 0.02 . 1 . . . . . . . . 5682 1 78 . 1 1 7 7 LYS CE C 13 41.6 0.1 . 1 . . . . . . . . 5682 1 79 . 1 1 7 7 LYS HE2 H 1 2.70 0.02 . 2 . . . . . . . . 5682 1 80 . 1 1 7 7 LYS HE3 H 1 2.73 0.02 . 2 . . . . . . . . 5682 1 81 . 1 1 7 7 LYS C C 13 175.2 0.1 . 1 . . . . . . . . 5682 1 82 . 1 1 8 8 VAL N N 15 120.7 0.1 . 1 . . . . . . . . 5682 1 83 . 1 1 8 8 VAL H H 1 9.15 0.02 . 1 . . . . . . . . 5682 1 84 . 1 1 8 8 VAL CA C 13 58.0 0.1 . 1 . . . . . . . . 5682 1 85 . 1 1 8 8 VAL HA H 1 5.38 0.02 . 1 . . . . . . . . 5682 1 86 . 1 1 8 8 VAL CB C 13 34.8 0.1 . 1 . . . . . . . . 5682 1 87 . 1 1 8 8 VAL HB H 1 1.92 0.02 . 1 . . . . . . . . 5682 1 88 . 1 1 8 8 VAL HG11 H 1 0.71 0.02 . 1 . . . . . . . . 5682 1 89 . 1 1 8 8 VAL HG12 H 1 0.71 0.02 . 1 . . . . . . . . 5682 1 90 . 1 1 8 8 VAL HG13 H 1 0.71 0.02 . 1 . . . . . . . . 5682 1 91 . 1 1 8 8 VAL HG21 H 1 0.65 0.02 . 1 . . . . . . . . 5682 1 92 . 1 1 8 8 VAL HG22 H 1 0.65 0.02 . 1 . . . . . . . . 5682 1 93 . 1 1 8 8 VAL HG23 H 1 0.65 0.02 . 1 . . . . . . . . 5682 1 94 . 1 1 8 8 VAL CG1 C 13 21.7 0.1 . 1 . . . . . . . . 5682 1 95 . 1 1 8 8 VAL CG2 C 13 17.7 0.1 . 1 . . . . . . . . 5682 1 96 . 1 1 8 8 VAL C C 13 173.7 0.1 . 1 . . . . . . . . 5682 1 97 . 1 1 9 9 LYS N N 15 121.0 0.1 . 1 . . . . . . . . 5682 1 98 . 1 1 9 9 LYS H H 1 8.70 0.02 . 1 . . . . . . . . 5682 1 99 . 1 1 9 9 LYS CA C 13 53.9 0.1 . 1 . . . . . . . . 5682 1 100 . 1 1 9 9 LYS HA H 1 4.77 0.02 . 1 . . . . . . . . 5682 1 101 . 1 1 9 9 LYS CB C 13 36.0 0.1 . 1 . . . . . . . . 5682 1 102 . 1 1 9 9 LYS HB2 H 1 1.67 0.02 . 1 . . . . . . . . 5682 1 103 . 1 1 9 9 LYS HB3 H 1 1.38 0.02 . 1 . . . . . . . . 5682 1 104 . 1 1 9 9 LYS CG C 13 24.5 0.1 . 1 . . . . . . . . 5682 1 105 . 1 1 9 9 LYS HG2 H 1 1.05 0.02 . 1 . . . . . . . . 5682 1 106 . 1 1 9 9 LYS HG3 H 1 1.13 0.02 . 1 . . . . . . . . 5682 1 107 . 1 1 9 9 LYS CD C 13 29.3 0.1 . 1 . . . . . . . . 5682 1 108 . 1 1 9 9 LYS HD2 H 1 1.63 0.02 . 1 . . . . . . . . 5682 1 109 . 1 1 9 9 LYS HD3 H 1 1.63 0.02 . 1 . . . . . . . . 5682 1 110 . 1 1 9 9 LYS CE C 13 41.8 0.1 . 1 . . . . . . . . 5682 1 111 . 1 1 9 9 LYS HE2 H 1 2.86 0.02 . 2 . . . . . . . . 5682 1 112 . 1 1 9 9 LYS HE3 H 1 2.91 0.02 . 2 . . . . . . . . 5682 1 113 . 1 1 9 9 LYS C C 13 175.3 0.1 . 1 . . . . . . . . 5682 1 114 . 1 1 10 10 CYS N N 15 131.2 0.1 . 1 . . . . . . . . 5682 1 115 . 1 1 10 10 CYS H H 1 8.59 0.02 . 1 . . . . . . . . 5682 1 116 . 1 1 10 10 CYS CA C 13 57.5 0.1 . 1 . . . . . . . . 5682 1 117 . 1 1 10 10 CYS HA H 1 4.38 0.02 . 1 . . . . . . . . 5682 1 118 . 1 1 10 10 CYS CB C 13 32.1 0.1 . 1 . . . . . . . . 5682 1 119 . 1 1 10 10 CYS HB2 H 1 3.01 0.02 . 1 . . . . . . . . 5682 1 120 . 1 1 10 10 CYS HB3 H 1 3.25 0.02 . 1 . . . . . . . . 5682 1 121 . 1 1 11 11 PRO CD C 13 51.3 0.1 . 1 . . . . . . . . 5682 1 122 . 1 1 11 11 PRO CA C 13 64.3 0.1 . 1 . . . . . . . . 5682 1 123 . 1 1 11 11 PRO HA H 1 4.48 0.02 . 1 . . . . . . . . 5682 1 124 . 1 1 11 11 PRO CB C 13 32.6 0.1 . 1 . . . . . . . . 5682 1 125 . 1 1 11 11 PRO HB2 H 1 1.97 0.02 . 2 . . . . . . . . 5682 1 126 . 1 1 11 11 PRO HB3 H 1 2.47 0.02 . 2 . . . . . . . . 5682 1 127 . 1 1 11 11 PRO CG C 13 27.2 0.1 . 1 . . . . . . . . 5682 1 128 . 1 1 11 11 PRO HG2 H 1 2.00 0.02 . 1 . . . . . . . . 5682 1 129 . 1 1 11 11 PRO HG3 H 1 2.12 0.02 . 1 . . . . . . . . 5682 1 130 . 1 1 11 11 PRO HD2 H 1 4.02 0.02 . 1 . . . . . . . . 5682 1 131 . 1 1 11 11 PRO HD3 H 1 4.13 0.02 . 1 . . . . . . . . 5682 1 132 . 1 1 11 11 PRO C C 13 176.6 0.1 . 1 . . . . . . . . 5682 1 133 . 1 1 12 12 ASP N N 15 120.8 0.1 . 1 . . . . . . . . 5682 1 134 . 1 1 12 12 ASP H H 1 8.93 0.02 . 1 . . . . . . . . 5682 1 135 . 1 1 12 12 ASP CA C 13 56.1 0.1 . 1 . . . . . . . . 5682 1 136 . 1 1 12 12 ASP HA H 1 4.82 0.02 . 1 . . . . . . . . 5682 1 137 . 1 1 12 12 ASP CB C 13 42.3 0.1 . 1 . . . . . . . . 5682 1 138 . 1 1 12 12 ASP HB2 H 1 2.74 0.02 . 1 . . . . . . . . 5682 1 139 . 1 1 12 12 ASP HB3 H 1 2.74 0.02 . 1 . . . . . . . . 5682 1 140 . 1 1 12 12 ASP C C 13 177.0 0.1 . 1 . . . . . . . . 5682 1 141 . 1 1 13 13 CYS N N 15 120.2 0.1 . 1 . . . . . . . . 5682 1 142 . 1 1 13 13 CYS H H 1 8.50 0.02 . 1 . . . . . . . . 5682 1 143 . 1 1 13 13 CYS CA C 13 59.2 0.1 . 1 . . . . . . . . 5682 1 144 . 1 1 13 13 CYS HA H 1 4.97 0.02 . 1 . . . . . . . . 5682 1 145 . 1 1 13 13 CYS CB C 13 32.1 0.1 . 1 . . . . . . . . 5682 1 146 . 1 1 13 13 CYS HB2 H 1 2.61 0.02 . 2 . . . . . . . . 5682 1 147 . 1 1 13 13 CYS HB3 H 1 3.27 0.02 . 2 . . . . . . . . 5682 1 148 . 1 1 13 13 CYS C C 13 176.7 0.1 . 1 . . . . . . . . 5682 1 149 . 1 1 14 14 GLU N N 15 115.6 0.1 . 1 . . . . . . . . 5682 1 150 . 1 1 14 14 GLU H H 1 7.68 0.02 . 1 . . . . . . . . 5682 1 151 . 1 1 14 14 GLU CA C 13 58.9 0.1 . 1 . . . . . . . . 5682 1 152 . 1 1 14 14 GLU HA H 1 4.09 0.02 . 1 . . . . . . . . 5682 1 153 . 1 1 14 14 GLU CB C 13 27.2 0.1 . 1 . . . . . . . . 5682 1 154 . 1 1 14 14 GLU HB2 H 1 2.19 0.02 . 2 . . . . . . . . 5682 1 155 . 1 1 14 14 GLU HB3 H 1 2.50 0.02 . 2 . . . . . . . . 5682 1 156 . 1 1 14 14 GLU CG C 13 37.1 0.1 . 1 . . . . . . . . 5682 1 157 . 1 1 14 14 GLU HG2 H 1 2.09 0.02 . 1 . . . . . . . . 5682 1 158 . 1 1 14 14 GLU HG3 H 1 2.09 0.02 . 1 . . . . . . . . 5682 1 159 . 1 1 14 14 GLU C C 13 174.8 0.1 . 1 . . . . . . . . 5682 1 160 . 1 1 15 15 HIS N N 15 121.9 0.1 . 1 . . . . . . . . 5682 1 161 . 1 1 15 15 HIS H H 1 8.95 0.02 . 1 . . . . . . . . 5682 1 162 . 1 1 15 15 HIS CA C 13 58.3 0.1 . 1 . . . . . . . . 5682 1 163 . 1 1 15 15 HIS HA H 1 4.50 0.02 . 1 . . . . . . . . 5682 1 164 . 1 1 15 15 HIS CB C 13 30.9 0.1 . 1 . . . . . . . . 5682 1 165 . 1 1 15 15 HIS HB2 H 1 3.06 0.02 . 2 . . . . . . . . 5682 1 166 . 1 1 15 15 HIS HB3 H 1 3.40 0.02 . 2 . . . . . . . . 5682 1 167 . 1 1 15 15 HIS HD2 H 1 7.27 0.02 . 1 . . . . . . . . 5682 1 168 . 1 1 15 15 HIS HE1 H 1 8.34 0.02 . 1 . . . . . . . . 5682 1 169 . 1 1 15 15 HIS C C 13 175.3 0.1 . 1 . . . . . . . . 5682 1 170 . 1 1 16 16 GLU N N 15 127.8 0.1 . 1 . . . . . . . . 5682 1 171 . 1 1 16 16 GLU H H 1 8.25 0.02 . 1 . . . . . . . . 5682 1 172 . 1 1 16 16 GLU CA C 13 54.8 0.1 . 1 . . . . . . . . 5682 1 173 . 1 1 16 16 GLU HA H 1 5.33 0.02 . 1 . . . . . . . . 5682 1 174 . 1 1 16 16 GLU CB C 13 31.1 0.1 . 1 . . . . . . . . 5682 1 175 . 1 1 16 16 GLU HB2 H 1 1.80 0.02 . 1 . . . . . . . . 5682 1 176 . 1 1 16 16 GLU HB3 H 1 1.58 0.02 . 1 . . . . . . . . 5682 1 177 . 1 1 16 16 GLU CG C 13 36.9 0.1 . 1 . . . . . . . . 5682 1 178 . 1 1 16 16 GLU HG2 H 1 1.86 0.02 . 2 . . . . . . . . 5682 1 179 . 1 1 16 16 GLU HG3 H 1 2.32 0.02 . 2 . . . . . . . . 5682 1 180 . 1 1 16 16 GLU C C 13 175.5 0.1 . 1 . . . . . . . . 5682 1 181 . 1 1 17 17 GLN N N 15 119.5 0.1 . 1 . . . . . . . . 5682 1 182 . 1 1 17 17 GLN H H 1 8.93 0.02 . 1 . . . . . . . . 5682 1 183 . 1 1 17 17 GLN CA C 13 54.1 0.1 . 1 . . . . . . . . 5682 1 184 . 1 1 17 17 GLN HA H 1 4.73 0.02 . 1 . . . . . . . . 5682 1 185 . 1 1 17 17 GLN CB C 13 33.3 0.1 . 1 . . . . . . . . 5682 1 186 . 1 1 17 17 GLN HB2 H 1 1.91 0.02 . 2 . . . . . . . . 5682 1 187 . 1 1 17 17 GLN HB3 H 1 2.21 0.02 . 2 . . . . . . . . 5682 1 188 . 1 1 17 17 GLN CG C 13 33.3 0.1 . 1 . . . . . . . . 5682 1 189 . 1 1 17 17 GLN HG2 H 1 2.03 0.02 . 1 . . . . . . . . 5682 1 190 . 1 1 17 17 GLN HG3 H 1 2.03 0.02 . 1 . . . . . . . . 5682 1 191 . 1 1 17 17 GLN NE2 N 15 110.3 0.1 . 1 . . . . . . . . 5682 1 192 . 1 1 17 17 GLN HE21 H 1 6.59 0.02 . 1 . . . . . . . . 5682 1 193 . 1 1 17 17 GLN HE22 H 1 7.74 0.02 . 1 . . . . . . . . 5682 1 194 . 1 1 17 17 GLN C C 13 173.0 0.1 . 1 . . . . . . . . 5682 1 195 . 1 1 18 18 VAL N N 15 124.1 0.1 . 1 . . . . . . . . 5682 1 196 . 1 1 18 18 VAL H H 1 8.71 0.02 . 1 . . . . . . . . 5682 1 197 . 1 1 18 18 VAL CA C 13 55.2 0.1 . 1 . . . . . . . . 5682 1 198 . 1 1 18 18 VAL HA H 1 4.79 0.02 . 1 . . . . . . . . 5682 1 199 . 1 1 18 18 VAL CB C 13 32.2 0.1 . 1 . . . . . . . . 5682 1 200 . 1 1 18 18 VAL HB H 1 1.91 0.02 . 1 . . . . . . . . 5682 1 201 . 1 1 18 18 VAL HG11 H 1 0.81 0.02 . 1 . . . . . . . . 5682 1 202 . 1 1 18 18 VAL HG12 H 1 0.81 0.02 . 1 . . . . . . . . 5682 1 203 . 1 1 18 18 VAL HG13 H 1 0.81 0.02 . 1 . . . . . . . . 5682 1 204 . 1 1 18 18 VAL HG21 H 1 0.86 0.02 . 1 . . . . . . . . 5682 1 205 . 1 1 18 18 VAL HG22 H 1 0.86 0.02 . 1 . . . . . . . . 5682 1 206 . 1 1 18 18 VAL HG23 H 1 0.86 0.02 . 1 . . . . . . . . 5682 1 207 . 1 1 18 18 VAL CG1 C 13 22.4 0.1 . 1 . . . . . . . . 5682 1 208 . 1 1 18 18 VAL CG2 C 13 21.8 0.1 . 1 . . . . . . . . 5682 1 209 . 1 1 18 18 VAL C C 13 176.1 0.1 . 1 . . . . . . . . 5682 1 210 . 1 1 19 19 ILE N N 15 122.4 0.1 . 1 . . . . . . . . 5682 1 211 . 1 1 19 19 ILE H H 1 9.30 0.02 . 1 . . . . . . . . 5682 1 212 . 1 1 19 19 ILE CA C 13 58.8 0.1 . 1 . . . . . . . . 5682 1 213 . 1 1 19 19 ILE HA H 1 4.95 0.02 . 1 . . . . . . . . 5682 1 214 . 1 1 19 19 ILE CB C 13 42.0 0.1 . 1 . . . . . . . . 5682 1 215 . 1 1 19 19 ILE HB H 1 1.99 0.02 . 1 . . . . . . . . 5682 1 216 . 1 1 19 19 ILE HG21 H 1 0.83 0.02 . 1 . . . . . . . . 5682 1 217 . 1 1 19 19 ILE HG22 H 1 0.83 0.02 . 1 . . . . . . . . 5682 1 218 . 1 1 19 19 ILE HG23 H 1 0.83 0.02 . 1 . . . . . . . . 5682 1 219 . 1 1 19 19 ILE CG2 C 13 18.0 0.1 . 1 . . . . . . . . 5682 1 220 . 1 1 19 19 ILE CG1 C 13 26.0 0.1 . 1 . . . . . . . . 5682 1 221 . 1 1 19 19 ILE HG12 H 1 1.26 0.02 . 1 . . . . . . . . 5682 1 222 . 1 1 19 19 ILE HG13 H 1 1.00 0.02 . 1 . . . . . . . . 5682 1 223 . 1 1 19 19 ILE HD11 H 1 0.62 0.02 . 1 . . . . . . . . 5682 1 224 . 1 1 19 19 ILE HD12 H 1 0.62 0.02 . 1 . . . . . . . . 5682 1 225 . 1 1 19 19 ILE HD13 H 1 0.62 0.02 . 1 . . . . . . . . 5682 1 226 . 1 1 19 19 ILE CD1 C 13 14.8 0.1 . 1 . . . . . . . . 5682 1 227 . 1 1 19 19 ILE C C 13 174.0 0.1 . 1 . . . . . . . . 5682 1 228 . 1 1 20 20 PHE N N 15 122.9 0.1 . 1 . . . . . . . . 5682 1 229 . 1 1 20 20 PHE H H 1 8.45 0.02 . 1 . . . . . . . . 5682 1 230 . 1 1 20 20 PHE CA C 13 56.9 0.1 . 1 . . . . . . . . 5682 1 231 . 1 1 20 20 PHE HA H 1 4.67 0.02 . 1 . . . . . . . . 5682 1 232 . 1 1 20 20 PHE CB C 13 40.8 0.1 . 1 . . . . . . . . 5682 1 233 . 1 1 20 20 PHE HB2 H 1 2.87 0.02 . 1 . . . . . . . . 5682 1 234 . 1 1 20 20 PHE HB3 H 1 2.87 0.02 . 1 . . . . . . . . 5682 1 235 . 1 1 20 20 PHE HD1 H 1 6.60 0.02 . 1 . . . . . . . . 5682 1 236 . 1 1 20 20 PHE HD2 H 1 6.60 0.02 . 1 . . . . . . . . 5682 1 237 . 1 1 20 20 PHE HE1 H 1 7.19 0.02 . 1 . . . . . . . . 5682 1 238 . 1 1 20 20 PHE HE2 H 1 7.19 0.02 . 1 . . . . . . . . 5682 1 239 . 1 1 20 20 PHE HZ H 1 7.26 0.02 . 1 . . . . . . . . 5682 1 240 . 1 1 20 20 PHE C C 13 176.1 0.1 . 1 . . . . . . . . 5682 1 241 . 1 1 21 21 ASP N N 15 121.3 0.1 . 1 . . . . . . . . 5682 1 242 . 1 1 21 21 ASP H H 1 8.27 0.02 . 1 . . . . . . . . 5682 1 243 . 1 1 21 21 ASP CA C 13 54.6 0.1 . 1 . . . . . . . . 5682 1 244 . 1 1 21 21 ASP HA H 1 4.14 0.02 . 1 . . . . . . . . 5682 1 245 . 1 1 21 21 ASP CB C 13 40.6 0.1 . 1 . . . . . . . . 5682 1 246 . 1 1 21 21 ASP HB2 H 1 2.41 0.02 . 1 . . . . . . . . 5682 1 247 . 1 1 21 21 ASP HB3 H 1 2.84 0.02 . 1 . . . . . . . . 5682 1 248 . 1 1 21 21 ASP C C 13 176.5 0.1 . 1 . . . . . . . . 5682 1 249 . 1 1 22 22 HIS N N 15 119.0 0.1 . 1 . . . . . . . . 5682 1 250 . 1 1 22 22 HIS H H 1 8.22 0.02 . 1 . . . . . . . . 5682 1 251 . 1 1 22 22 HIS CA C 13 55.9 0.1 . 1 . . . . . . . . 5682 1 252 . 1 1 22 22 HIS HA H 1 4.77 0.02 . 1 . . . . . . . . 5682 1 253 . 1 1 22 22 HIS CB C 13 30.1 0.1 . 1 . . . . . . . . 5682 1 254 . 1 1 22 22 HIS HB2 H 1 3.03 0.02 . 2 . . . . . . . . 5682 1 255 . 1 1 22 22 HIS HB3 H 1 3.14 0.02 . 2 . . . . . . . . 5682 1 256 . 1 1 22 22 HIS HD2 H 1 7.09 0.02 . 1 . . . . . . . . 5682 1 257 . 1 1 22 22 HIS HE1 H 1 8.08 0.02 . 1 . . . . . . . . 5682 1 258 . 1 1 23 23 PRO CD C 13 49.8 0.1 . 1 . . . . . . . . 5682 1 259 . 1 1 23 23 PRO CA C 13 63.3 0.1 . 1 . . . . . . . . 5682 1 260 . 1 1 23 23 PRO HA H 1 4.63 0.02 . 1 . . . . . . . . 5682 1 261 . 1 1 23 23 PRO CB C 13 32.6 0.1 . 1 . . . . . . . . 5682 1 262 . 1 1 23 23 PRO HB2 H 1 2.33 0.02 . 2 . . . . . . . . 5682 1 263 . 1 1 23 23 PRO HB3 H 1 2.47 0.02 . 2 . . . . . . . . 5682 1 264 . 1 1 23 23 PRO CG C 13 27.0 0.1 . 1 . . . . . . . . 5682 1 265 . 1 1 23 23 PRO HG2 H 1 1.74 0.02 . 1 . . . . . . . . 5682 1 266 . 1 1 23 23 PRO HG3 H 1 1.74 0.02 . 1 . . . . . . . . 5682 1 267 . 1 1 23 23 PRO HD2 H 1 3.30 0.02 . 2 . . . . . . . . 5682 1 268 . 1 1 23 23 PRO HD3 H 1 3.62 0.02 . 2 . . . . . . . . 5682 1 269 . 1 1 23 23 PRO C C 13 170.5 0.1 . 1 . . . . . . . . 5682 1 270 . 1 1 24 24 SER N N 15 109.4 0.1 . 1 . . . . . . . . 5682 1 271 . 1 1 24 24 SER H H 1 7.44 0.02 . 1 . . . . . . . . 5682 1 272 . 1 1 24 24 SER CA C 13 58.8 0.1 . 1 . . . . . . . . 5682 1 273 . 1 1 24 24 SER HA H 1 4.76 0.02 . 1 . . . . . . . . 5682 1 274 . 1 1 24 24 SER CB C 13 64.1 0.1 . 1 . . . . . . . . 5682 1 275 . 1 1 24 24 SER HB2 H 1 3.93 0.02 . 2 . . . . . . . . 5682 1 276 . 1 1 24 24 SER HB3 H 1 4.04 0.02 . 2 . . . . . . . . 5682 1 277 . 1 1 24 24 SER C C 13 173.8 0.1 . 1 . . . . . . . . 5682 1 278 . 1 1 25 25 THR N N 15 113.7 0.1 . 1 . . . . . . . . 5682 1 279 . 1 1 25 25 THR H H 1 7.52 0.02 . 1 . . . . . . . . 5682 1 280 . 1 1 25 25 THR CA C 13 58.8 0.1 . 1 . . . . . . . . 5682 1 281 . 1 1 25 25 THR HA H 1 4.62 0.02 . 1 . . . . . . . . 5682 1 282 . 1 1 25 25 THR CB C 13 71.7 0.1 . 1 . . . . . . . . 5682 1 283 . 1 1 25 25 THR HB H 1 4.33 0.02 . 1 . . . . . . . . 5682 1 284 . 1 1 25 25 THR HG21 H 1 1.18 0.02 . 1 . . . . . . . . 5682 1 285 . 1 1 25 25 THR HG22 H 1 1.18 0.02 . 1 . . . . . . . . 5682 1 286 . 1 1 25 25 THR HG23 H 1 1.18 0.02 . 1 . . . . . . . . 5682 1 287 . 1 1 25 25 THR CG2 C 13 20.6 0.1 . 1 . . . . . . . . 5682 1 288 . 1 1 25 25 THR C C 13 172.5 0.1 . 1 . . . . . . . . 5682 1 289 . 1 1 26 26 ILE N N 15 118.6 0.1 . 1 . . . . . . . . 5682 1 290 . 1 1 26 26 ILE H H 1 8.10 0.02 . 1 . . . . . . . . 5682 1 291 . 1 1 26 26 ILE CA C 13 63.0 0.1 . 1 . . . . . . . . 5682 1 292 . 1 1 26 26 ILE HA H 1 4.18 0.02 . 1 . . . . . . . . 5682 1 293 . 1 1 26 26 ILE CB C 13 39.1 0.1 . 1 . . . . . . . . 5682 1 294 . 1 1 26 26 ILE HB H 1 1.84 0.02 . 1 . . . . . . . . 5682 1 295 . 1 1 26 26 ILE HG21 H 1 1.01 0.02 . 1 . . . . . . . . 5682 1 296 . 1 1 26 26 ILE HG22 H 1 1.01 0.02 . 1 . . . . . . . . 5682 1 297 . 1 1 26 26 ILE HG23 H 1 1.01 0.02 . 1 . . . . . . . . 5682 1 298 . 1 1 26 26 ILE CG2 C 13 18.4 0.1 . 1 . . . . . . . . 5682 1 299 . 1 1 26 26 ILE CG1 C 13 28.9 0.1 . 1 . . . . . . . . 5682 1 300 . 1 1 26 26 ILE HG12 H 1 1.23 0.02 . 1 . . . . . . . . 5682 1 301 . 1 1 26 26 ILE HG13 H 1 1.76 0.02 . 1 . . . . . . . . 5682 1 302 . 1 1 26 26 ILE HD11 H 1 1.00 0.02 . 1 . . . . . . . . 5682 1 303 . 1 1 26 26 ILE HD12 H 1 1.00 0.02 . 1 . . . . . . . . 5682 1 304 . 1 1 26 26 ILE HD13 H 1 1.00 0.02 . 1 . . . . . . . . 5682 1 305 . 1 1 26 26 ILE CD1 C 13 13.7 0.1 . 1 . . . . . . . . 5682 1 306 . 1 1 26 26 ILE C C 13 175.9 0.1 . 1 . . . . . . . . 5682 1 307 . 1 1 27 27 VAL N N 15 128.5 0.1 . 1 . . . . . . . . 5682 1 308 . 1 1 27 27 VAL H H 1 8.63 0.02 . 1 . . . . . . . . 5682 1 309 . 1 1 27 27 VAL CA C 13 61.6 0.1 . 1 . . . . . . . . 5682 1 310 . 1 1 27 27 VAL HA H 1 4.34 0.02 . 1 . . . . . . . . 5682 1 311 . 1 1 27 27 VAL CB C 13 33.8 0.1 . 1 . . . . . . . . 5682 1 312 . 1 1 27 27 VAL HB H 1 1.91 0.02 . 1 . . . . . . . . 5682 1 313 . 1 1 27 27 VAL HG11 H 1 0.95 0.02 . 1 . . . . . . . . 5682 1 314 . 1 1 27 27 VAL HG12 H 1 0.95 0.02 . 1 . . . . . . . . 5682 1 315 . 1 1 27 27 VAL HG13 H 1 0.95 0.02 . 1 . . . . . . . . 5682 1 316 . 1 1 27 27 VAL HG21 H 1 1.08 0.02 . 1 . . . . . . . . 5682 1 317 . 1 1 27 27 VAL HG22 H 1 1.08 0.02 . 1 . . . . . . . . 5682 1 318 . 1 1 27 27 VAL HG23 H 1 1.08 0.02 . 1 . . . . . . . . 5682 1 319 . 1 1 27 27 VAL CG1 C 13 21.8 0.1 . 1 . . . . . . . . 5682 1 320 . 1 1 27 27 VAL CG2 C 13 21.3 0.1 . 1 . . . . . . . . 5682 1 321 . 1 1 27 27 VAL C C 13 175.5 0.1 . 1 . . . . . . . . 5682 1 322 . 1 1 28 28 LYS N N 15 127.4 0.1 . 1 . . . . . . . . 5682 1 323 . 1 1 28 28 LYS H H 1 8.80 0.02 . 1 . . . . . . . . 5682 1 324 . 1 1 28 28 LYS CA C 13 54.0 0.1 . 1 . . . . . . . . 5682 1 325 . 1 1 28 28 LYS HA H 1 4.93 0.02 . 1 . . . . . . . . 5682 1 326 . 1 1 28 28 LYS CB C 13 35.2 0.1 . 1 . . . . . . . . 5682 1 327 . 1 1 28 28 LYS HB2 H 1 1.59 0.02 . 2 . . . . . . . . 5682 1 328 . 1 1 28 28 LYS HB3 H 1 1.49 0.02 . 2 . . . . . . . . 5682 1 329 . 1 1 28 28 LYS CG C 13 25.3 0.1 . 1 . . . . . . . . 5682 1 330 . 1 1 28 28 LYS HG2 H 1 1.33 0.02 . 1 . . . . . . . . 5682 1 331 . 1 1 28 28 LYS HG3 H 1 1.30 0.02 . 1 . . . . . . . . 5682 1 332 . 1 1 28 28 LYS CD C 13 29.2 0.1 . 1 . . . . . . . . 5682 1 333 . 1 1 28 28 LYS HD2 H 1 1.67 0.02 . 1 . . . . . . . . 5682 1 334 . 1 1 28 28 LYS HD3 H 1 1.67 0.02 . 1 . . . . . . . . 5682 1 335 . 1 1 28 28 LYS CE C 13 42.2 0.1 . 1 . . . . . . . . 5682 1 336 . 1 1 28 28 LYS HE2 H 1 2.97 0.02 . 1 . . . . . . . . 5682 1 337 . 1 1 28 28 LYS HE3 H 1 2.97 0.02 . 1 . . . . . . . . 5682 1 338 . 1 1 28 28 LYS C C 13 176.2 0.1 . 1 . . . . . . . . 5682 1 339 . 1 1 29 29 CYS N N 15 125.8 0.1 . 1 . . . . . . . . 5682 1 340 . 1 1 29 29 CYS H H 1 9.42 0.02 . 1 . . . . . . . . 5682 1 341 . 1 1 29 29 CYS CA C 13 59.1 0.1 . 1 . . . . . . . . 5682 1 342 . 1 1 29 29 CYS HA H 1 4.46 0.02 . 1 . . . . . . . . 5682 1 343 . 1 1 29 29 CYS CB C 13 30.6 0.1 . 1 . . . . . . . . 5682 1 344 . 1 1 29 29 CYS HB2 H 1 2.98 0.02 . 2 . . . . . . . . 5682 1 345 . 1 1 29 29 CYS HB3 H 1 3.08 0.02 . 2 . . . . . . . . 5682 1 346 . 1 1 29 29 CYS C C 13 178.9 0.1 . 1 . . . . . . . . 5682 1 347 . 1 1 30 30 ILE N N 15 129.3 0.1 . 1 . . . . . . . . 5682 1 348 . 1 1 30 30 ILE H H 1 8.71 0.02 . 1 . . . . . . . . 5682 1 349 . 1 1 30 30 ILE CA C 13 63.4 0.1 . 1 . . . . . . . . 5682 1 350 . 1 1 30 30 ILE HA H 1 3.97 0.02 . 1 . . . . . . . . 5682 1 351 . 1 1 30 30 ILE CB C 13 38.8 0.1 . 1 . . . . . . . . 5682 1 352 . 1 1 30 30 ILE HB H 1 1.92 0.02 . 1 . . . . . . . . 5682 1 353 . 1 1 30 30 ILE HG21 H 1 0.99 0.02 . 1 . . . . . . . . 5682 1 354 . 1 1 30 30 ILE HG22 H 1 0.99 0.02 . 1 . . . . . . . . 5682 1 355 . 1 1 30 30 ILE HG23 H 1 0.99 0.02 . 1 . . . . . . . . 5682 1 356 . 1 1 30 30 ILE CG2 C 13 18.1 0.1 . 1 . . . . . . . . 5682 1 357 . 1 1 30 30 ILE CG1 C 13 27.6 0.1 . 1 . . . . . . . . 5682 1 358 . 1 1 30 30 ILE HG12 H 1 1.26 0.02 . 1 . . . . . . . . 5682 1 359 . 1 1 30 30 ILE HG13 H 1 1.36 0.02 . 1 . . . . . . . . 5682 1 360 . 1 1 30 30 ILE HD11 H 1 0.94 0.02 . 1 . . . . . . . . 5682 1 361 . 1 1 30 30 ILE HD12 H 1 0.94 0.02 . 1 . . . . . . . . 5682 1 362 . 1 1 30 30 ILE HD13 H 1 0.94 0.02 . 1 . . . . . . . . 5682 1 363 . 1 1 30 30 ILE CD1 C 13 14.2 0.1 . 1 . . . . . . . . 5682 1 364 . 1 1 30 30 ILE C C 13 175.3 0.1 . 1 . . . . . . . . 5682 1 365 . 1 1 31 31 ILE N N 15 123.8 0.1 . 1 . . . . . . . . 5682 1 366 . 1 1 31 31 ILE H H 1 8.90 0.02 . 1 . . . . . . . . 5682 1 367 . 1 1 31 31 ILE CA C 13 60.7 0.1 . 1 . . . . . . . . 5682 1 368 . 1 1 31 31 ILE HA H 1 4.10 0.02 . 1 . . . . . . . . 5682 1 369 . 1 1 31 31 ILE CB C 13 36.0 0.1 . 1 . . . . . . . . 5682 1 370 . 1 1 31 31 ILE HB H 1 2.49 0.02 . 1 . . . . . . . . 5682 1 371 . 1 1 31 31 ILE HG21 H 1 0.72 0.02 . 1 . . . . . . . . 5682 1 372 . 1 1 31 31 ILE HG22 H 1 0.72 0.02 . 1 . . . . . . . . 5682 1 373 . 1 1 31 31 ILE HG23 H 1 0.72 0.02 . 1 . . . . . . . . 5682 1 374 . 1 1 31 31 ILE CG2 C 13 16.9 0.1 . 1 . . . . . . . . 5682 1 375 . 1 1 31 31 ILE CG1 C 13 26.2 0.1 . 1 . . . . . . . . 5682 1 376 . 1 1 31 31 ILE HG12 H 1 0.69 0.02 . 1 . . . . . . . . 5682 1 377 . 1 1 31 31 ILE HG13 H 1 0.73 0.02 . 1 . . . . . . . . 5682 1 378 . 1 1 31 31 ILE HD11 H 1 0.37 0.02 . 1 . . . . . . . . 5682 1 379 . 1 1 31 31 ILE HD12 H 1 0.37 0.02 . 1 . . . . . . . . 5682 1 380 . 1 1 31 31 ILE HD13 H 1 0.37 0.02 . 1 . . . . . . . . 5682 1 381 . 1 1 31 31 ILE CD1 C 13 8.5 0.1 . 1 . . . . . . . . 5682 1 382 . 1 1 31 31 ILE C C 13 178.0 0.1 . 1 . . . . . . . . 5682 1 383 . 1 1 32 32 CYS N N 15 119.7 0.1 . 1 . . . . . . . . 5682 1 384 . 1 1 32 32 CYS H H 1 8.61 0.02 . 1 . . . . . . . . 5682 1 385 . 1 1 32 32 CYS CA C 13 59.3 0.1 . 1 . . . . . . . . 5682 1 386 . 1 1 32 32 CYS HA H 1 4.94 0.02 . 1 . . . . . . . . 5682 1 387 . 1 1 32 32 CYS CB C 13 32.5 0.1 . 1 . . . . . . . . 5682 1 388 . 1 1 32 32 CYS HB2 H 1 2.63 0.02 . 2 . . . . . . . . 5682 1 389 . 1 1 32 32 CYS HB3 H 1 3.25 0.02 . 2 . . . . . . . . 5682 1 390 . 1 1 32 32 CYS C C 13 177.4 0.1 . 1 . . . . . . . . 5682 1 391 . 1 1 33 33 GLY N N 15 112.0 0.1 . 1 . . . . . . . . 5682 1 392 . 1 1 33 33 GLY H H 1 7.78 0.02 . 1 . . . . . . . . 5682 1 393 . 1 1 33 33 GLY CA C 13 46.3 0.1 . 1 . . . . . . . . 5682 1 394 . 1 1 33 33 GLY HA2 H 1 3.80 0.02 . 1 . . . . . . . . 5682 1 395 . 1 1 33 33 GLY HA3 H 1 4.27 0.02 . 1 . . . . . . . . 5682 1 396 . 1 1 33 33 GLY C C 13 173.2 0.1 . 1 . . . . . . . . 5682 1 397 . 1 1 34 34 ARG N N 15 124.7 0.1 . 1 . . . . . . . . 5682 1 398 . 1 1 34 34 ARG H H 1 8.54 0.02 . 1 . . . . . . . . 5682 1 399 . 1 1 34 34 ARG CA C 13 56.5 0.1 . 1 . . . . . . . . 5682 1 400 . 1 1 34 34 ARG HA H 1 4.26 0.02 . 1 . . . . . . . . 5682 1 401 . 1 1 34 34 ARG CB C 13 30.7 0.1 . 1 . . . . . . . . 5682 1 402 . 1 1 34 34 ARG HB2 H 1 1.88 0.02 . 2 . . . . . . . . 5682 1 403 . 1 1 34 34 ARG HB3 H 1 2.01 0.02 . 2 . . . . . . . . 5682 1 404 . 1 1 34 34 ARG CG C 13 27.4 0.1 . 1 . . . . . . . . 5682 1 405 . 1 1 34 34 ARG HG2 H 1 1.64 0.02 . 1 . . . . . . . . 5682 1 406 . 1 1 34 34 ARG HG3 H 1 1.64 0.02 . 1 . . . . . . . . 5682 1 407 . 1 1 34 34 ARG CD C 13 44.0 0.1 . 1 . . . . . . . . 5682 1 408 . 1 1 34 34 ARG HD2 H 1 3.17 0.02 . 2 . . . . . . . . 5682 1 409 . 1 1 34 34 ARG HD3 H 1 3.31 0.02 . 2 . . . . . . . . 5682 1 410 . 1 1 34 34 ARG NE N 15 110.8 0.1 . 1 . . . . . . . . 5682 1 411 . 1 1 34 34 ARG HE H 1 7.24 0.02 . 1 . . . . . . . . 5682 1 412 . 1 1 34 34 ARG CZ C 13 156.6 0.1 . 1 . . . . . . . . 5682 1 413 . 1 1 34 34 ARG C C 13 176.6 0.1 . 1 . . . . . . . . 5682 1 414 . 1 1 35 35 THR N N 15 123.2 0.1 . 1 . . . . . . . . 5682 1 415 . 1 1 35 35 THR H H 1 9.08 0.02 . 1 . . . . . . . . 5682 1 416 . 1 1 35 35 THR CA C 13 65.4 0.1 . 1 . . . . . . . . 5682 1 417 . 1 1 35 35 THR HA H 1 4.16 0.02 . 1 . . . . . . . . 5682 1 418 . 1 1 35 35 THR CB C 13 68.9 0.1 . 1 . . . . . . . . 5682 1 419 . 1 1 35 35 THR HB H 1 4.14 0.02 . 1 . . . . . . . . 5682 1 420 . 1 1 35 35 THR HG21 H 1 1.18 0.02 . 1 . . . . . . . . 5682 1 421 . 1 1 35 35 THR HG22 H 1 1.18 0.02 . 1 . . . . . . . . 5682 1 422 . 1 1 35 35 THR HG23 H 1 1.18 0.02 . 1 . . . . . . . . 5682 1 423 . 1 1 35 35 THR CG2 C 13 23.1 0.1 . 1 . . . . . . . . 5682 1 424 . 1 1 35 35 THR C C 13 174.5 0.1 . 1 . . . . . . . . 5682 1 425 . 1 1 36 36 VAL N N 15 121.4 0.1 . 1 . . . . . . . . 5682 1 426 . 1 1 36 36 VAL H H 1 9.28 0.02 . 1 . . . . . . . . 5682 1 427 . 1 1 36 36 VAL CA C 13 61.3 0.1 . 1 . . . . . . . . 5682 1 428 . 1 1 36 36 VAL HA H 1 4.51 0.02 . 1 . . . . . . . . 5682 1 429 . 1 1 36 36 VAL CB C 13 33.2 0.1 . 1 . . . . . . . . 5682 1 430 . 1 1 36 36 VAL HB H 1 2.08 0.02 . 1 . . . . . . . . 5682 1 431 . 1 1 36 36 VAL HG11 H 1 0.90 0.02 . 1 . . . . . . . . 5682 1 432 . 1 1 36 36 VAL HG12 H 1 0.90 0.02 . 1 . . . . . . . . 5682 1 433 . 1 1 36 36 VAL HG13 H 1 0.90 0.02 . 1 . . . . . . . . 5682 1 434 . 1 1 36 36 VAL HG21 H 1 0.65 0.02 . 1 . . . . . . . . 5682 1 435 . 1 1 36 36 VAL HG22 H 1 0.65 0.02 . 1 . . . . . . . . 5682 1 436 . 1 1 36 36 VAL HG23 H 1 0.65 0.02 . 1 . . . . . . . . 5682 1 437 . 1 1 36 36 VAL CG1 C 13 21.6 0.1 . 1 . . . . . . . . 5682 1 438 . 1 1 36 36 VAL CG2 C 13 19.1 0.1 . 1 . . . . . . . . 5682 1 439 . 1 1 36 36 VAL C C 13 175.5 0.1 . 1 . . . . . . . . 5682 1 440 . 1 1 37 37 ALA N N 15 122.0 0.1 . 1 . . . . . . . . 5682 1 441 . 1 1 37 37 ALA H H 1 8.00 0.02 . 1 . . . . . . . . 5682 1 442 . 1 1 37 37 ALA CA C 13 52.5 0.1 . 1 . . . . . . . . 5682 1 443 . 1 1 37 37 ALA HA H 1 5.09 0.02 . 1 . . . . . . . . 5682 1 444 . 1 1 37 37 ALA HB1 H 1 1.25 0.02 . 1 . . . . . . . . 5682 1 445 . 1 1 37 37 ALA HB2 H 1 1.25 0.02 . 1 . . . . . . . . 5682 1 446 . 1 1 37 37 ALA HB3 H 1 1.25 0.02 . 1 . . . . . . . . 5682 1 447 . 1 1 37 37 ALA CB C 13 22.0 0.1 . 1 . . . . . . . . 5682 1 448 . 1 1 37 37 ALA C C 13 174.5 0.1 . 1 . . . . . . . . 5682 1 449 . 1 1 38 38 GLU N N 15 119.2 0.1 . 1 . . . . . . . . 5682 1 450 . 1 1 38 38 GLU H H 1 8.59 0.02 . 1 . . . . . . . . 5682 1 451 . 1 1 38 38 GLU CA C 13 52.5 0.1 . 1 . . . . . . . . 5682 1 452 . 1 1 38 38 GLU HA H 1 4.89 0.02 . 1 . . . . . . . . 5682 1 453 . 1 1 38 38 GLU CB C 13 31.9 0.1 . 1 . . . . . . . . 5682 1 454 . 1 1 38 38 GLU HB2 H 1 1.90 0.02 . 2 . . . . . . . . 5682 1 455 . 1 1 38 38 GLU HB3 H 1 2.12 0.02 . 2 . . . . . . . . 5682 1 456 . 1 1 38 38 GLU CG C 13 36.2 0.1 . 1 . . . . . . . . 5682 1 457 . 1 1 38 38 GLU HG2 H 1 2.13 0.02 . 2 . . . . . . . . 5682 1 458 . 1 1 38 38 GLU HG3 H 1 2.19 0.02 . 2 . . . . . . . . 5682 1 459 . 1 1 39 39 PRO CD C 13 50.5 0.1 . 1 . . . . . . . . 5682 1 460 . 1 1 39 39 PRO CA C 13 62.4 0.1 . 1 . . . . . . . . 5682 1 461 . 1 1 39 39 PRO HA H 1 4.60 0.02 . 1 . . . . . . . . 5682 1 462 . 1 1 39 39 PRO CB C 13 32.3 0.1 . 1 . . . . . . . . 5682 1 463 . 1 1 39 39 PRO HB2 H 1 1.85 0.02 . 2 . . . . . . . . 5682 1 464 . 1 1 39 39 PRO HB3 H 1 1.96 0.02 . 2 . . . . . . . . 5682 1 465 . 1 1 39 39 PRO CG C 13 27.2 0.1 . 1 . . . . . . . . 5682 1 466 . 1 1 39 39 PRO HG2 H 1 1.67 0.02 . 2 . . . . . . . . 5682 1 467 . 1 1 39 39 PRO HG3 H 1 2.02 0.02 . 2 . . . . . . . . 5682 1 468 . 1 1 39 39 PRO HD2 H 1 3.73 0.02 . 2 . . . . . . . . 5682 1 469 . 1 1 39 39 PRO HD3 H 1 3.32 0.02 . 2 . . . . . . . . 5682 1 470 . 1 1 39 39 PRO C C 13 177.1 0.1 . 1 . . . . . . . . 5682 1 471 . 1 1 40 40 THR N N 15 112.0 0.1 . 1 . . . . . . . . 5682 1 472 . 1 1 40 40 THR H H 1 8.66 0.02 . 1 . . . . . . . . 5682 1 473 . 1 1 40 40 THR CA C 13 61.1 0.1 . 1 . . . . . . . . 5682 1 474 . 1 1 40 40 THR HA H 1 4.50 0.02 . 1 . . . . . . . . 5682 1 475 . 1 1 40 40 THR CB C 13 71.5 0.1 . 1 . . . . . . . . 5682 1 476 . 1 1 40 40 THR HB H 1 4.32 0.02 . 1 . . . . . . . . 5682 1 477 . 1 1 40 40 THR HG21 H 1 1.15 0.02 . 1 . . . . . . . . 5682 1 478 . 1 1 40 40 THR HG22 H 1 1.15 0.02 . 1 . . . . . . . . 5682 1 479 . 1 1 40 40 THR HG23 H 1 1.15 0.02 . 1 . . . . . . . . 5682 1 480 . 1 1 40 40 THR CG2 C 13 21.0 0.1 . 1 . . . . . . . . 5682 1 481 . 1 1 40 40 THR C C 13 175.4 0.1 . 1 . . . . . . . . 5682 1 482 . 1 1 41 41 GLY N N 15 111.7 0.1 . 5 . . . . . . . . 5682 1 483 . 1 1 41 41 GLY H H 1 8.43 0.02 . 5 . . . . . . . . 5682 1 484 . 1 1 41 41 GLY CA C 13 45.6 0.1 . 5 . . . . . . . . 5682 1 485 . 1 1 41 41 GLY HA2 H 1 3.85 0.02 . 5 . . . . . . . . 5682 1 486 . 1 1 41 41 GLY HA3 H 1 4.18 0.02 . 5 . . . . . . . . 5682 1 487 . 1 1 41 41 GLY C C 13 174.3 0.1 . 5 . . . . . . . . 5682 1 488 . 1 1 42 42 GLY N N 15 109.9 0.1 . 5 . . . . . . . . 5682 1 489 . 1 1 42 42 GLY H H 1 8.13 0.02 . 5 . . . . . . . . 5682 1 490 . 1 1 42 42 GLY CA C 13 45.2 0.1 . 5 . . . . . . . . 5682 1 491 . 1 1 42 42 GLY HA2 H 1 3.71 0.02 . 5 . . . . . . . . 5682 1 492 . 1 1 42 42 GLY HA3 H 1 4.13 0.02 . 5 . . . . . . . . 5682 1 493 . 1 1 42 42 GLY C C 13 171.0 0.1 . 5 . . . . . . . . 5682 1 494 . 1 1 43 43 LYS N N 15 110.8 0.1 . 1 . . . . . . . . 5682 1 495 . 1 1 43 43 LYS H H 1 7.24 0.02 . 1 . . . . . . . . 5682 1 496 . 1 1 43 43 LYS CA C 13 56.6 0.1 . 1 . . . . . . . . 5682 1 497 . 1 1 43 43 LYS HA H 1 3.58 0.02 . 1 . . . . . . . . 5682 1 498 . 1 1 43 43 LYS CB C 13 32.5 0.1 . 1 . . . . . . . . 5682 1 499 . 1 1 43 43 LYS HB2 H 1 1.59 0.02 . 2 . . . . . . . . 5682 1 500 . 1 1 43 43 LYS HB3 H 1 1.72 0.02 . 2 . . . . . . . . 5682 1 501 . 1 1 43 43 LYS CG C 13 24.7 0.1 . 1 . . . . . . . . 5682 1 502 . 1 1 43 43 LYS HG2 H 1 1.33 0.02 . 2 . . . . . . . . 5682 1 503 . 1 1 43 43 LYS HG3 H 1 1.44 0.02 . 2 . . . . . . . . 5682 1 504 . 1 1 43 43 LYS CD C 13 29.4 0.1 . 1 . . . . . . . . 5682 1 505 . 1 1 43 43 LYS HD2 H 1 1.67 0.02 . 1 . . . . . . . . 5682 1 506 . 1 1 43 43 LYS HD3 H 1 1.67 0.02 . 1 . . . . . . . . 5682 1 507 . 1 1 43 43 LYS CE C 13 42.1 0.1 . 1 . . . . . . . . 5682 1 508 . 1 1 43 43 LYS HE2 H 1 3.01 0.02 . 1 . . . . . . . . 5682 1 509 . 1 1 43 43 LYS HE3 H 1 3.01 0.02 . 1 . . . . . . . . 5682 1 510 . 1 1 44 44 GLY N N 15 113.1 0.1 . 1 . . . . . . . . 5682 1 511 . 1 1 44 44 GLY H H 1 8.82 0.02 . 1 . . . . . . . . 5682 1 512 . 1 1 44 44 GLY CA C 13 45.9 0.1 . 1 . . . . . . . . 5682 1 513 . 1 1 44 44 GLY HA2 H 1 3.43 0.02 . 1 . . . . . . . . 5682 1 514 . 1 1 44 44 GLY HA3 H 1 4.10 0.02 . 1 . . . . . . . . 5682 1 515 . 1 1 44 44 GLY C C 13 172.5 0.1 . 1 . . . . . . . . 5682 1 516 . 1 1 45 45 ASN N N 15 119.2 0.1 . 1 . . . . . . . . 5682 1 517 . 1 1 45 45 ASN H H 1 8.45 0.02 . 1 . . . . . . . . 5682 1 518 . 1 1 45 45 ASN CA C 13 52.8 0.1 . 1 . . . . . . . . 5682 1 519 . 1 1 45 45 ASN HA H 1 4.79 0.02 . 1 . . . . . . . . 5682 1 520 . 1 1 45 45 ASN CB C 13 38.5 0.1 . 1 . . . . . . . . 5682 1 521 . 1 1 45 45 ASN HB2 H 1 2.67 0.02 . 1 . . . . . . . . 5682 1 522 . 1 1 45 45 ASN HB3 H 1 2.81 0.02 . 1 . . . . . . . . 5682 1 523 . 1 1 45 45 ASN ND2 N 15 112.1 0.1 . 1 . . . . . . . . 5682 1 524 . 1 1 45 45 ASN HD21 H 1 7.61 0.02 . 2 . . . . . . . . 5682 1 525 . 1 1 45 45 ASN HD22 H 1 6.88 0.02 . 2 . . . . . . . . 5682 1 526 . 1 1 45 45 ASN C C 13 174.8 0.1 . 1 . . . . . . . . 5682 1 527 . 1 1 46 46 ILE N N 15 124.2 0.1 . 1 . . . . . . . . 5682 1 528 . 1 1 46 46 ILE H H 1 8.48 0.02 . 1 . . . . . . . . 5682 1 529 . 1 1 46 46 ILE CA C 13 61.7 0.1 . 1 . . . . . . . . 5682 1 530 . 1 1 46 46 ILE HA H 1 4.13 0.02 . 1 . . . . . . . . 5682 1 531 . 1 1 46 46 ILE CB C 13 37.3 0.1 . 1 . . . . . . . . 5682 1 532 . 1 1 46 46 ILE HB H 1 2.02 0.02 . 1 . . . . . . . . 5682 1 533 . 1 1 46 46 ILE HG21 H 1 0.94 0.02 . 1 . . . . . . . . 5682 1 534 . 1 1 46 46 ILE HG22 H 1 0.94 0.02 . 1 . . . . . . . . 5682 1 535 . 1 1 46 46 ILE HG23 H 1 0.94 0.02 . 1 . . . . . . . . 5682 1 536 . 1 1 46 46 ILE CG2 C 13 18.0 0.1 . 1 . . . . . . . . 5682 1 537 . 1 1 46 46 ILE CG1 C 13 27.8 0.1 . 1 . . . . . . . . 5682 1 538 . 1 1 46 46 ILE HG12 H 1 1.09 0.02 . 1 . . . . . . . . 5682 1 539 . 1 1 46 46 ILE HG13 H 1 1.55 0.02 . 1 . . . . . . . . 5682 1 540 . 1 1 46 46 ILE HD11 H 1 0.78 0.02 . 1 . . . . . . . . 5682 1 541 . 1 1 46 46 ILE HD12 H 1 0.78 0.02 . 1 . . . . . . . . 5682 1 542 . 1 1 46 46 ILE HD13 H 1 0.78 0.02 . 1 . . . . . . . . 5682 1 543 . 1 1 46 46 ILE CD1 C 13 12.3 0.1 . 1 . . . . . . . . 5682 1 544 . 1 1 46 46 ILE C C 13 175.9 0.1 . 1 . . . . . . . . 5682 1 545 . 1 1 47 47 LYS N N 15 129.8 0.1 . 1 . . . . . . . . 5682 1 546 . 1 1 47 47 LYS H H 1 8.40 0.02 . 1 . . . . . . . . 5682 1 547 . 1 1 47 47 LYS CA C 13 54.3 0.1 . 1 . . . . . . . . 5682 1 548 . 1 1 47 47 LYS HA H 1 4.51 0.02 . 1 . . . . . . . . 5682 1 549 . 1 1 47 47 LYS CB C 13 31.7 0.1 . 1 . . . . . . . . 5682 1 550 . 1 1 47 47 LYS HB2 H 1 1.39 0.02 . 1 . . . . . . . . 5682 1 551 . 1 1 47 47 LYS HB3 H 1 1.96 0.02 . 1 . . . . . . . . 5682 1 552 . 1 1 47 47 LYS CG C 13 24.1 0.1 . 1 . . . . . . . . 5682 1 553 . 1 1 47 47 LYS HG2 H 1 1.23 0.02 . 1 . . . . . . . . 5682 1 554 . 1 1 47 47 LYS HG3 H 1 1.33 0.02 . 1 . . . . . . . . 5682 1 555 . 1 1 47 47 LYS CD C 13 28.4 0.1 . 1 . . . . . . . . 5682 1 556 . 1 1 47 47 LYS HD2 H 1 1.49 0.02 . 1 . . . . . . . . 5682 1 557 . 1 1 47 47 LYS HD3 H 1 1.49 0.02 . 1 . . . . . . . . 5682 1 558 . 1 1 47 47 LYS CE C 13 42.0 0.1 . 1 . . . . . . . . 5682 1 559 . 1 1 47 47 LYS HE2 H 1 2.87 0.02 . 1 . . . . . . . . 5682 1 560 . 1 1 47 47 LYS HE3 H 1 2.87 0.02 . 1 . . . . . . . . 5682 1 561 . 1 1 47 47 LYS C C 13 174.9 0.1 . 1 . . . . . . . . 5682 1 562 . 1 1 48 48 ALA N N 15 120.4 0.1 . 1 . . . . . . . . 5682 1 563 . 1 1 48 48 ALA H H 1 7.16 0.02 . 1 . . . . . . . . 5682 1 564 . 1 1 48 48 ALA CA C 13 50.7 0.1 . 1 . . . . . . . . 5682 1 565 . 1 1 48 48 ALA HA H 1 4.44 0.02 . 1 . . . . . . . . 5682 1 566 . 1 1 48 48 ALA HB1 H 1 1.33 0.02 . 1 . . . . . . . . 5682 1 567 . 1 1 48 48 ALA HB2 H 1 1.33 0.02 . 1 . . . . . . . . 5682 1 568 . 1 1 48 48 ALA HB3 H 1 1.33 0.02 . 1 . . . . . . . . 5682 1 569 . 1 1 48 48 ALA CB C 13 21.3 0.1 . 1 . . . . . . . . 5682 1 570 . 1 1 48 48 ALA C C 13 174.5 0.1 . 1 . . . . . . . . 5682 1 571 . 1 1 49 49 GLU N N 15 119.8 0.1 . 1 . . . . . . . . 5682 1 572 . 1 1 49 49 GLU H H 1 8.01 0.02 . 1 . . . . . . . . 5682 1 573 . 1 1 49 49 GLU CA C 13 56.3 0.1 . 1 . . . . . . . . 5682 1 574 . 1 1 49 49 GLU HA H 1 4.23 0.02 . 1 . . . . . . . . 5682 1 575 . 1 1 49 49 GLU CB C 13 30.9 0.1 . 1 . . . . . . . . 5682 1 576 . 1 1 49 49 GLU HB2 H 1 1.98 0.02 . 1 . . . . . . . . 5682 1 577 . 1 1 49 49 GLU HB3 H 1 1.98 0.02 . 1 . . . . . . . . 5682 1 578 . 1 1 49 49 GLU CG C 13 35.6 0.1 . 1 . . . . . . . . 5682 1 579 . 1 1 49 49 GLU HG2 H 1 2.04 0.02 . 1 . . . . . . . . 5682 1 580 . 1 1 49 49 GLU HG3 H 1 2.24 0.02 . 1 . . . . . . . . 5682 1 581 . 1 1 49 49 GLU C C 13 176.0 0.1 . 1 . . . . . . . . 5682 1 582 . 1 1 50 50 ILE N N 15 126.1 0.1 . 1 . . . . . . . . 5682 1 583 . 1 1 50 50 ILE H H 1 8.61 0.02 . 1 . . . . . . . . 5682 1 584 . 1 1 50 50 ILE CA C 13 62.6 0.1 . 1 . . . . . . . . 5682 1 585 . 1 1 50 50 ILE HA H 1 3.85 0.02 . 1 . . . . . . . . 5682 1 586 . 1 1 50 50 ILE CB C 13 38.7 0.1 . 1 . . . . . . . . 5682 1 587 . 1 1 50 50 ILE HB H 1 1.73 0.02 . 1 . . . . . . . . 5682 1 588 . 1 1 50 50 ILE HG21 H 1 0.49 0.02 . 1 . . . . . . . . 5682 1 589 . 1 1 50 50 ILE HG22 H 1 0.49 0.02 . 1 . . . . . . . . 5682 1 590 . 1 1 50 50 ILE HG23 H 1 0.49 0.02 . 1 . . . . . . . . 5682 1 591 . 1 1 50 50 ILE CG2 C 13 16.6 0.1 . 1 . . . . . . . . 5682 1 592 . 1 1 50 50 ILE CG1 C 13 28.6 0.1 . 1 . . . . . . . . 5682 1 593 . 1 1 50 50 ILE HG12 H 1 0.79 0.02 . 1 . . . . . . . . 5682 1 594 . 1 1 50 50 ILE HG13 H 1 1.70 0.02 . 1 . . . . . . . . 5682 1 595 . 1 1 50 50 ILE HD11 H 1 0.90 0.02 . 1 . . . . . . . . 5682 1 596 . 1 1 50 50 ILE HD12 H 1 0.90 0.02 . 1 . . . . . . . . 5682 1 597 . 1 1 50 50 ILE HD13 H 1 0.90 0.02 . 1 . . . . . . . . 5682 1 598 . 1 1 50 50 ILE CD1 C 13 13.4 0.1 . 1 . . . . . . . . 5682 1 599 . 1 1 50 50 ILE C C 13 176.1 0.1 . 1 . . . . . . . . 5682 1 600 . 1 1 51 51 ILE N N 15 128.4 0.1 . 1 . . . . . . . . 5682 1 601 . 1 1 51 51 ILE H H 1 9.02 0.02 . 1 . . . . . . . . 5682 1 602 . 1 1 51 51 ILE CA C 13 61.5 0.1 . 1 . . . . . . . . 5682 1 603 . 1 1 51 51 ILE HA H 1 4.13 0.02 . 1 . . . . . . . . 5682 1 604 . 1 1 51 51 ILE CB C 13 38.1 0.1 . 1 . . . . . . . . 5682 1 605 . 1 1 51 51 ILE HB H 1 1.60 0.02 . 1 . . . . . . . . 5682 1 606 . 1 1 51 51 ILE HG21 H 1 0.85 0.02 . 1 . . . . . . . . 5682 1 607 . 1 1 51 51 ILE HG22 H 1 0.85 0.02 . 1 . . . . . . . . 5682 1 608 . 1 1 51 51 ILE HG23 H 1 0.85 0.02 . 1 . . . . . . . . 5682 1 609 . 1 1 51 51 ILE CG2 C 13 17.3 0.1 . 1 . . . . . . . . 5682 1 610 . 1 1 51 51 ILE CG1 C 13 26.6 0.1 . 1 . . . . . . . . 5682 1 611 . 1 1 51 51 ILE HG12 H 1 1.14 0.02 . 2 . . . . . . . . 5682 1 612 . 1 1 51 51 ILE HG13 H 1 1.26 0.02 . 2 . . . . . . . . 5682 1 613 . 1 1 51 51 ILE HD11 H 1 0.63 0.02 . 1 . . . . . . . . 5682 1 614 . 1 1 51 51 ILE HD12 H 1 0.63 0.02 . 1 . . . . . . . . 5682 1 615 . 1 1 51 51 ILE HD13 H 1 0.63 0.02 . 1 . . . . . . . . 5682 1 616 . 1 1 51 51 ILE CD1 C 13 11.3 0.1 . 1 . . . . . . . . 5682 1 617 . 1 1 52 52 GLU N N 15 114.1 0.1 . 1 . . . . . . . . 5682 1 618 . 1 1 52 52 GLU H H 1 7.44 0.02 . 1 . . . . . . . . 5682 1 619 . 1 1 52 52 GLU CA C 13 55.3 0.1 . 1 . . . . . . . . 5682 1 620 . 1 1 52 52 GLU HA H 1 4.53 0.02 . 1 . . . . . . . . 5682 1 621 . 1 1 52 52 GLU CB C 13 31.9 0.1 . 1 . . . . . . . . 5682 1 622 . 1 1 52 52 GLU HB2 H 1 2.04 0.02 . 2 . . . . . . . . 5682 1 623 . 1 1 52 52 GLU HB3 H 1 2.20 0.02 . 2 . . . . . . . . 5682 1 624 . 1 1 52 52 GLU CG C 13 35.2 0.1 . 1 . . . . . . . . 5682 1 625 . 1 1 52 52 GLU HG2 H 1 2.05 0.02 . 1 . . . . . . . . 5682 1 626 . 1 1 52 52 GLU HG3 H 1 2.05 0.02 . 1 . . . . . . . . 5682 1 627 . 1 1 52 52 GLU C C 13 174.0 0.1 . 1 . . . . . . . . 5682 1 628 . 1 1 53 53 TYR N N 15 122.4 0.1 . 1 . . . . . . . . 5682 1 629 . 1 1 53 53 TYR H H 1 8.89 0.02 . 1 . . . . . . . . 5682 1 630 . 1 1 53 53 TYR CA C 13 59.3 0.1 . 1 . . . . . . . . 5682 1 631 . 1 1 53 53 TYR HA H 1 4.76 0.02 . 1 . . . . . . . . 5682 1 632 . 1 1 53 53 TYR CB C 13 39.3 0.1 . 1 . . . . . . . . 5682 1 633 . 1 1 53 53 TYR HB2 H 1 2.87 0.02 . 2 . . . . . . . . 5682 1 634 . 1 1 53 53 TYR HB3 H 1 3.02 0.02 . 2 . . . . . . . . 5682 1 635 . 1 1 53 53 TYR HD1 H 1 7.09 0.02 . 1 . . . . . . . . 5682 1 636 . 1 1 53 53 TYR HD2 H 1 7.09 0.02 . 1 . . . . . . . . 5682 1 637 . 1 1 53 53 TYR HE1 H 1 6.71 0.02 . 1 . . . . . . . . 5682 1 638 . 1 1 53 53 TYR HE2 H 1 6.71 0.02 . 1 . . . . . . . . 5682 1 639 . 1 1 53 53 TYR C C 13 175.9 0.1 . 1 . . . . . . . . 5682 1 640 . 1 1 54 54 VAL N N 15 120.1 0.1 . 1 . . . . . . . . 5682 1 641 . 1 1 54 54 VAL H H 1 8.33 0.02 . 1 . . . . . . . . 5682 1 642 . 1 1 54 54 VAL CA C 13 61.2 0.1 . 1 . . . . . . . . 5682 1 643 . 1 1 54 54 VAL HA H 1 4.36 0.02 . 1 . . . . . . . . 5682 1 644 . 1 1 54 54 VAL CB C 13 33.8 0.1 . 1 . . . . . . . . 5682 1 645 . 1 1 54 54 VAL HB H 1 2.04 0.02 . 1 . . . . . . . . 5682 1 646 . 1 1 54 54 VAL HG11 H 1 0.87 0.02 . 1 . . . . . . . . 5682 1 647 . 1 1 54 54 VAL HG12 H 1 0.87 0.02 . 1 . . . . . . . . 5682 1 648 . 1 1 54 54 VAL HG13 H 1 0.87 0.02 . 1 . . . . . . . . 5682 1 649 . 1 1 54 54 VAL HG21 H 1 0.82 0.02 . 1 . . . . . . . . 5682 1 650 . 1 1 54 54 VAL HG22 H 1 0.82 0.02 . 1 . . . . . . . . 5682 1 651 . 1 1 54 54 VAL HG23 H 1 0.82 0.02 . 1 . . . . . . . . 5682 1 652 . 1 1 54 54 VAL CG1 C 13 21.8 0.1 . 1 . . . . . . . . 5682 1 653 . 1 1 54 54 VAL CG2 C 13 20.8 0.1 . 1 . . . . . . . . 5682 1 654 . 1 1 54 54 VAL C C 13 175.4 0.1 . 1 . . . . . . . . 5682 1 655 . 1 1 55 55 ASP N N 15 124.3 0.1 . 1 . . . . . . . . 5682 1 656 . 1 1 55 55 ASP H H 1 8.65 0.02 . 1 . . . . . . . . 5682 1 657 . 1 1 55 55 ASP CA C 13 54.6 0.1 . 1 . . . . . . . . 5682 1 658 . 1 1 55 55 ASP HA H 1 4.79 0.02 . 1 . . . . . . . . 5682 1 659 . 1 1 55 55 ASP CB C 13 42.0 0.1 . 1 . . . . . . . . 5682 1 660 . 1 1 55 55 ASP HB2 H 1 2.67 0.02 . 2 . . . . . . . . 5682 1 661 . 1 1 55 55 ASP HB3 H 1 2.77 0.02 . 2 . . . . . . . . 5682 1 662 . 1 1 55 55 ASP C C 13 176.1 0.1 . 1 . . . . . . . . 5682 1 663 . 1 1 56 56 GLN N N 15 120.0 0.1 . 1 . . . . . . . . 5682 1 664 . 1 1 56 56 GLN H H 1 8.25 0.02 . 1 . . . . . . . . 5682 1 665 . 1 1 56 56 GLN CA C 13 56.1 0.1 . 1 . . . . . . . . 5682 1 666 . 1 1 56 56 GLN HA H 1 4.26 0.02 . 1 . . . . . . . . 5682 1 667 . 1 1 56 56 GLN CB C 13 29.8 0.1 . 1 . . . . . . . . 5682 1 668 . 1 1 56 56 GLN HB2 H 1 1.96 0.02 . 2 . . . . . . . . 5682 1 669 . 1 1 56 56 GLN HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5682 1 670 . 1 1 56 56 GLN CG C 13 33.6 0.1 . 1 . . . . . . . . 5682 1 671 . 1 1 56 56 GLN HG2 H 1 2.25 0.02 . 1 . . . . . . . . 5682 1 672 . 1 1 56 56 GLN HG3 H 1 2.25 0.02 . 1 . . . . . . . . 5682 1 673 . 1 1 56 56 GLN NE2 N 15 112.0 0.1 . 1 . . . . . . . . 5682 1 674 . 1 1 56 56 GLN HE21 H 1 7.46 0.02 . 2 . . . . . . . . 5682 1 675 . 1 1 56 56 GLN HE22 H 1 6.80 0.02 . 2 . . . . . . . . 5682 1 676 . 1 1 56 56 GLN C C 13 175.6 0.1 . 1 . . . . . . . . 5682 1 677 . 1 1 57 57 ILE N N 15 121.0 0.1 . 1 . . . . . . . . 5682 1 678 . 1 1 57 57 ILE H H 1 8.09 0.02 . 1 . . . . . . . . 5682 1 679 . 1 1 57 57 ILE CA C 13 61.7 0.1 . 1 . . . . . . . . 5682 1 680 . 1 1 57 57 ILE HA H 1 4.02 0.02 . 1 . . . . . . . . 5682 1 681 . 1 1 57 57 ILE CB C 13 38.7 0.1 . 1 . . . . . . . . 5682 1 682 . 1 1 57 57 ILE HB H 1 1.72 0.02 . 1 . . . . . . . . 5682 1 683 . 1 1 57 57 ILE HG21 H 1 0.76 0.02 . 1 . . . . . . . . 5682 1 684 . 1 1 57 57 ILE HG22 H 1 0.76 0.02 . 1 . . . . . . . . 5682 1 685 . 1 1 57 57 ILE HG23 H 1 0.76 0.02 . 1 . . . . . . . . 5682 1 686 . 1 1 57 57 ILE CG2 C 13 17.5 0.1 . 1 . . . . . . . . 5682 1 687 . 1 1 57 57 ILE CG1 C 13 27.6 0.1 . 1 . . . . . . . . 5682 1 688 . 1 1 57 57 ILE HG12 H 1 1.04 0.02 . 1 . . . . . . . . 5682 1 689 . 1 1 57 57 ILE HG13 H 1 1.29 0.02 . 1 . . . . . . . . 5682 1 690 . 1 1 57 57 ILE HD11 H 1 0.73 0.02 . 1 . . . . . . . . 5682 1 691 . 1 1 57 57 ILE HD12 H 1 0.73 0.02 . 1 . . . . . . . . 5682 1 692 . 1 1 57 57 ILE HD13 H 1 0.73 0.02 . 1 . . . . . . . . 5682 1 693 . 1 1 57 57 ILE CD1 C 13 13.1 0.1 . 1 . . . . . . . . 5682 1 694 . 1 1 57 57 ILE C C 13 176.2 0.1 . 1 . . . . . . . . 5682 1 695 . 1 1 58 58 GLU N N 15 123.4 0.1 . 1 . . . . . . . . 5682 1 696 . 1 1 58 58 GLU H H 1 8.24 0.02 . 1 . . . . . . . . 5682 1 697 . 1 1 58 58 GLU CA C 13 56.7 0.1 . 1 . . . . . . . . 5682 1 698 . 1 1 58 58 GLU HA H 1 4.25 0.02 . 1 . . . . . . . . 5682 1 699 . 1 1 58 58 GLU CB C 13 30.1 0.1 . 1 . . . . . . . . 5682 1 700 . 1 1 58 58 GLU HB2 H 1 1.93 0.02 . 2 . . . . . . . . 5682 1 701 . 1 1 58 58 GLU HB3 H 1 2.02 0.02 . 2 . . . . . . . . 5682 1 702 . 1 1 58 58 GLU CG C 13 36.2 0.1 . 1 . . . . . . . . 5682 1 703 . 1 1 58 58 GLU HG2 H 1 2.22 0.02 . 1 . . . . . . . . 5682 1 704 . 1 1 58 58 GLU HG3 H 1 2.22 0.02 . 1 . . . . . . . . 5682 1 705 . 1 1 58 58 GLU C C 13 176.6 0.1 . 1 . . . . . . . . 5682 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 488 5682 1 1 482 5682 1 2 489 5682 1 2 483 5682 1 3 490 5682 1 3 484 5682 1 4 491 5682 1 4 485 5682 1 5 492 5682 1 5 486 5682 1 6 493 5682 1 6 487 5682 1 stop_ save_ ######################## # Coupling constants # ######################## save_HNHA_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode HNHA_set_1 _Coupling_constant_list.Entry_ID 5682 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $Sample_1 . 5682 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 4 4 ARG H H 1 . . 1 1 4 4 ARG HA H 1 . 6.4 . . 2.5 . . . . . . . . . . . 5682 1 2 3JHNHA . 1 1 5 5 PHE H H 1 . . 1 1 5 5 PHE HA H 1 . 9.3 . . 2.5 . . . . . . . . . . . 5682 1 3 3JHNHA . 1 1 8 8 VAL H H 1 . . 1 1 8 8 VAL HA H 1 . 9.2 . . 2.5 . . . . . . . . . . . 5682 1 4 3JHNHA . 1 1 9 9 LYS H H 1 . . 1 1 9 9 LYS HA H 1 . 8.8 . . 2.5 . . . . . . . . . . . 5682 1 5 3JHNHA . 1 1 10 10 CYS H H 1 . . 1 1 10 10 CYS HA H 1 . 3.4 . . 2.5 . . . . . . . . . . . 5682 1 6 3JHNHA . 1 1 13 13 CYS H H 1 . . 1 1 13 13 CYS HA H 1 . 8.5 . . 2.5 . . . . . . . . . . . 5682 1 7 3JHNHA . 1 1 14 14 GLU H H 1 . . 1 1 14 14 GLU HA H 1 . 5.4 . . 2.0 . . . . . . . . . . . 5682 1 8 3JHNHA . 1 1 16 16 GLU H H 1 . . 1 1 16 16 GLU HA H 1 . 7.4 . . 2.5 . . . . . . . . . . . 5682 1 9 3JHNHA . 1 1 18 18 VAL H H 1 . . 1 1 18 18 VAL HA H 1 . 6.5 . . 2.5 . . . . . . . . . . . 5682 1 10 3JHNHA . 1 1 19 19 ILE H H 1 . . 1 1 19 19 ILE HA H 1 . 9.3 . . 2.5 . . . . . . . . . . . 5682 1 11 3JHNHA . 1 1 20 20 PHE H H 1 . . 1 1 20 20 PHE HA H 1 . 5.8 . . 2.5 . . . . . . . . . . . 5682 1 12 3JHNHA . 1 1 25 25 THR H H 1 . . 1 1 25 25 THR HA H 1 . 7.4 . . 2.0 . . . . . . . . . . . 5682 1 13 3JHNHA . 1 1 26 26 ILE H H 1 . . 1 1 26 26 ILE HA H 1 . 4.6 . . 2.0 . . . . . . . . . . . 5682 1 14 3JHNHA . 1 1 27 27 VAL H H 1 . . 1 1 27 27 VAL HA H 1 . 9.7 . . 2.5 . . . . . . . . . . . 5682 1 15 3JHNHA . 1 1 28 28 LYS H H 1 . . 1 1 28 28 LYS HA H 1 . 8.3 . . 2.0 . . . . . . . . . . . 5682 1 16 3JHNHA . 1 1 31 31 ILE H H 1 . . 1 1 31 31 ILE HA H 1 . 9.3 . . 2.5 . . . . . . . . . . . 5682 1 17 3JHNHA . 1 1 32 32 CYS H H 1 . . 1 1 32 32 CYS HA H 1 . 9.7 . . 2.5 . . . . . . . . . . . 5682 1 18 3JHNHA . 1 1 36 36 VAL H H 1 . . 1 1 36 36 VAL HA H 1 . 9.5 . . 2.5 . . . . . . . . . . . 5682 1 19 3JHNHA . 1 1 37 37 ALA H H 1 . . 1 1 37 37 ALA HA H 1 . 5.9 . . 2.0 . . . . . . . . . . . 5682 1 20 3JHNHA . 1 1 38 38 GLU H H 1 . . 1 1 38 38 GLU HA H 1 . 8.8 . . 2.5 . . . . . . . . . . . 5682 1 21 3JHNHA . 1 1 46 46 ILE H H 1 . . 1 1 46 46 ILE HA H 1 . 5.3 . . 2.5 . . . . . . . . . . . 5682 1 22 3JHNHA . 1 1 47 47 LYS H H 1 . . 1 1 47 47 LYS HA H 1 . 8.2 . . 2.5 . . . . . . . . . . . 5682 1 23 3JHNHA . 1 1 48 48 ALA H H 1 . . 1 1 48 48 ALA HA H 1 . 5.3 . . 2.5 . . . . . . . . . . . 5682 1 24 3JHNHA . 1 1 49 49 GLU H H 1 . . 1 1 49 49 GLU HA H 1 . 4.4 . . 2.0 . . . . . . . . . . . 5682 1 25 3JHNHA . 1 1 50 50 ILE H H 1 . . 1 1 50 50 ILE HA H 1 . 5.8 . . 2.5 . . . . . . . . . . . 5682 1 26 3JHNHA . 1 1 51 51 ILE H H 1 . . 1 1 51 51 ILE HA H 1 . 8.2 . . 3.0 . . . . . . . . . . . 5682 1 27 3JHNHA . 1 1 53 53 TYR H H 1 . . 1 1 53 53 TYR HA H 1 . 8.3 . . 2.5 . . . . . . . . . . . 5682 1 28 3JHNHA . 1 1 54 54 VAL H H 1 . . 1 1 54 54 VAL HA H 1 . 8.1 . . 2.5 . . . . . . . . . . . 5682 1 29 3JHNHA . 1 1 56 56 GLN H H 1 . . 1 1 56 56 GLN HA H 1 . 3.9 . . 2.0 . . . . . . . . . . . 5682 1 30 3JHNHA . 1 1 57 57 ILE H H 1 . . 1 1 57 57 ILE HA H 1 . 6.3 . . 2.0 . . . . . . . . . . . 5682 1 31 3JHNHA . 1 1 58 58 GLU H H 1 . . 1 1 58 58 GLU HA H 1 . 6.1 . . 2.0 . . . . . . . . . . . 5682 1 32 3JHNHA . 1 1 59 59 LEU H H 1 . . 1 1 59 59 LEU HA H 1 . 6.2 . . 2.0 . . . . . . . . . . . 5682 1 33 3JHNHA . 1 1 60 60 GLU H H 1 . . 1 1 60 60 GLU HA H 1 . 6.1 . . 2.0 . . . . . . . . . . . 5682 1 stop_ save_