data_6559 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6559 _Entry.Title ; Structure of the FBP11WW1 domain complexed to the peptide APPTPPPLPP ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2005-03-18 _Entry.Accession_date 2005-03-31 _Entry.Last_release_date 2005-08-22 _Entry.Original_release_date 2005-08-22 _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 J. Pires . R. . 6559 2 C. Parthier . . . 6559 3 R. Aido-Machado . . . 6559 4 U. Wiedemann . . . 6559 5 L. Otte . . . 6559 6 G. Boehm . . . 6559 7 R. Rudolph . . . 6559 8 H. Oschkinat . . . 6559 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 4 6559 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 483 6559 '13C chemical shifts' 122 6559 '15N chemical shifts' 42 6559 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-08-22 2005-03-18 original author . 6559 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6558 'FBP11WW1 in simple form' 6559 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6559 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15811376 _Citation.Full_citation . _Citation.Title 'Structural basis for APPTPPPLPP peptide recognition by the FBP11WW1 domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 348 _Citation.Journal_issue 2 _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 399 _Citation.Page_last 408 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Pires . R. . 6559 1 2 C. Parthier . . . 6559 1 3 R. Aido-Machado . . . 6559 1 4 U. Wiedemann . . . 6559 1 5 L. Otte . . . 6559 1 6 G. Boehm . . . 6559 1 7 R. Rudolph . . . 6559 1 8 H. Oschkinat . . . 6559 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'WW domain' 6559 1 'Class II' 6559 1 'Proline-rich peptides' 6559 1 'protein-protein interactions' 6559 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_FBP11WW1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_FBP11WW1 _Assembly.Entry_ID 6559 _Assembly.ID 1 _Assembly.Name 'Formin-binding protein 3/Formin complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 6559 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 'Formin-binding protein 3' 1 $FBP11WW1 . . . native . . . . . 6559 1 2 Formin 2 $Formin . . . native . . . . . 6559 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1YWI . . . . . . 6559 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Formin-binding protein 3/Formin complex' system 6559 1 FBP11WW1 abbreviation 6559 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FBP11WW1 _Entity.Sf_category entity _Entity.Sf_framecode FBP11WW1 _Entity.Entry_ID 6559 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Formin-binding protein 3' _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 ; GSRRASVGSAKSMWTEHKSP DGRTYYYNTETKQSTWEKPD D ; _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 41 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT O75400 . 'Pre-mRNA-processing factor 40 homolog A (Formin-binding protein 3) (Formin-binding protein 11) (Huntingtin-interacting protein A) (Huntingtin yeast partner A) (Fas ligand-associated factor 1) (NY-REN-6 antigen)' . . . . . 78.05 957 100.00 100.00 1.34e-11 . . . . 6559 1 . . REF XP_001926823 . 'PREDICTED: PRP40 pre-mRNA processing factor 40 homolog A (S. cerevisiae) [Sus scrofa]' . . . . . 78.05 930 100.00 100.00 1.25e-11 . . . . 6559 1 . . REF XP_001916024 . 'PREDICTED: PRP40 pre-mRNA processing factor 40 homolog A (S. cerevisiae) [Equus caballus]' . . . . . 78.05 930 100.00 100.00 1.28e-11 . . . . 6559 1 . . REF XP_001508338 . 'PREDICTED: similar to formin binding protein 11-related protein [Ornithorhynchus anatinus]' . . . . . 75.61 855 100.00 100.00 3.99e-11 . . . . 6559 1 . . REF XP_001365548 . 'PREDICTED: similar to hCG1811743, isoform 2 [Monodelphis domestica]' . . . . . 75.61 958 100.00 100.00 4.68e-11 . . . . 6559 1 . . REF NP_060362 . 'formin binding protein 3 [Homo sapiens]' . . . . . 78.05 930 100.00 100.00 1.18e-11 . . . . 6559 1 . . GenBank AAH11788 . 'PRPF40A protein [Homo sapiens]' . . . . . 78.05 411 100.00 100.00 1.21e-11 . . . . 6559 1 . . GenBank AAC27506 . 'huntingtin-interacting protein HYPA/FBP11 [Homo sapiens]' . . . . . 78.05 452 100.00 100.00 1.43e-11 . . . . 6559 1 . . GenBank AAC27502 . 'huntingtin-interacting protein HYPA/FBP11 [Homo sapiens]' . . . . . 78.05 167 100.00 100.00 3.11e-11 . . . . 6559 1 . . GenBank AAC27501 . 'huntingtin-interacting protein HYPA/FBP11 [Homo sapiens]' . . . . . 78.05 423 100.00 100.00 1.18e-11 . . . . 6559 1 . . GenBank AAB93495 . 'Fas-ligand associated factor 1 [Homo sapiens]' . . . . . 78.05 349 100.00 100.00 1.48e-11 . . . . 6559 1 . . DBJ BAB15016 . 'unnamed protein product [Homo sapiens]' . . . . . 78.05 323 100.00 100.00 1.12e-11 . . . . 6559 1 . . PDB 2DYF . 'Solution Structure Of The First Ww Domain Of Fbp11 HYPA (Fbp11 Ww1) Complexed With A Pl (Pplp) Motif Peptide Ligand' . . . . . 68.29 30 100.00 100.00 3.67e-08 . . . . 6559 1 . . PDB 1ZR7 . 'Solution Structure Of The First Ww Domain Of Fbp11' . . . . . 68.29 30 100.00 100.00 3.67e-08 . . . . 6559 1 . . PDB 1YWJ . 'Structure Of The Fbp11ww1 Domain' . . . . . 100.00 41 100.00 100.00 1.43e-15 . . . . 6559 1 . . PDB 1YWI . 'Structure Of The Fbp11ww1 Domain Complexed To The Peptide Apptppplpp' . . . . . 100.00 41 100.00 100.00 1.43e-15 . . . . 6559 1 . . BMRB 6721 . 'FBP11 WW1' . . . . . 68.29 30 100.00 100.00 3.67e-08 . . . . 6559 1 . . BMRB 6719 . 'FBP11 WW1' . . . . . 68.29 30 100.00 100.00 3.67e-08 . . . . 6559 1 . . BMRB 6558 . 'Formin-binding protein 3' . . . . . 100.00 41 100.00 100.00 1.43e-15 . . . . 6559 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Formin-binding protein 3' common 6559 1 FBP11WW1 abbreviation 6559 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 4 GLY . 6559 1 2 5 SER . 6559 1 3 6 ARG . 6559 1 4 7 ARG . 6559 1 5 8 ALA . 6559 1 6 9 SER . 6559 1 7 10 VAL . 6559 1 8 11 GLY . 6559 1 9 12 SER . 6559 1 10 13 ALA . 6559 1 11 14 LYS . 6559 1 12 15 SER . 6559 1 13 16 MET . 6559 1 14 17 TRP . 6559 1 15 18 THR . 6559 1 16 19 GLU . 6559 1 17 20 HIS . 6559 1 18 21 LYS . 6559 1 19 22 SER . 6559 1 20 23 PRO . 6559 1 21 24 ASP . 6559 1 22 25 GLY . 6559 1 23 26 ARG . 6559 1 24 27 THR . 6559 1 25 28 TYR . 6559 1 26 29 TYR . 6559 1 27 30 TYR . 6559 1 28 31 ASN . 6559 1 29 32 THR . 6559 1 30 33 GLU . 6559 1 31 34 THR . 6559 1 32 35 LYS . 6559 1 33 36 GLN . 6559 1 34 37 SER . 6559 1 35 38 THR . 6559 1 36 39 TRP . 6559 1 37 40 GLU . 6559 1 38 41 LYS . 6559 1 39 42 PRO . 6559 1 40 43 ASP . 6559 1 41 44 ASP . 6559 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 . GLY 1 1 6559 1 . SER 2 2 6559 1 . ARG 3 3 6559 1 . ARG 4 4 6559 1 . ALA 5 5 6559 1 . SER 6 6 6559 1 . VAL 7 7 6559 1 . GLY 8 8 6559 1 . SER 9 9 6559 1 . ALA 10 10 6559 1 . LYS 11 11 6559 1 . SER 12 12 6559 1 . MET 13 13 6559 1 . TRP 14 14 6559 1 . THR 15 15 6559 1 . GLU 16 16 6559 1 . HIS 17 17 6559 1 . LYS 18 18 6559 1 . SER 19 19 6559 1 . PRO 20 20 6559 1 . ASP 21 21 6559 1 . GLY 22 22 6559 1 . ARG 23 23 6559 1 . THR 24 24 6559 1 . TYR 25 25 6559 1 . TYR 26 26 6559 1 . TYR 27 27 6559 1 . ASN 28 28 6559 1 . THR 29 29 6559 1 . GLU 30 30 6559 1 . THR 31 31 6559 1 . LYS 32 32 6559 1 . GLN 33 33 6559 1 . SER 34 34 6559 1 . THR 35 35 6559 1 . TRP 36 36 6559 1 . GLU 37 37 6559 1 . LYS 38 38 6559 1 . PRO 39 39 6559 1 . ASP 40 40 6559 1 . ASP 41 41 6559 1 stop_ save_ save_Formin _Entity.Sf_category entity _Entity.Sf_framecode Formin _Entity.Entry_ID 6559 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Formin _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 APPTPPPLPP _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 10 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2005-09-08 loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Formin common 6559 2 Formin abbreviation 6559 2 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 . ALA . 6559 2 2 . PRO . 6559 2 3 . PRO . 6559 2 4 . THR . 6559 2 5 . PRO . 6559 2 6 . PRO . 6559 2 7 . PRO . 6559 2 8 . LEU . 6559 2 9 . PRO . 6559 2 10 . PRO . 6559 2 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 . ALA 1 1 6559 2 . PRO 2 2 6559 2 . PRO 3 3 6559 2 . THR 4 4 6559 2 . PRO 5 5 6559 2 . PRO 6 6 6559 2 . PRO 7 7 6559 2 . LEU 8 8 6559 2 . PRO 9 9 6559 2 . PRO 10 10 6559 2 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 6559 _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 $FBP11WW1 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6559 1 2 2 $Formin . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6559 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 6559 _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 $FBP11WW1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6559 1 2 2 $Formin . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6559 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6559 _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 'Formin-binding protein 3' '[U-15N; U-13C]' . . 1 $FBP11WW1 . . 1.8 . . mM . . . . 6559 1 2 Formin . . . 2 $Formin . . 3.6 . . mM . . . . 6559 1 3 'phosphate buffer' . . . . . . . 10 . . mM . . . . 6559 1 4 Nacl . . . . . . . 100 . . mM . . . . 6559 1 5 DTT . . . . . . . 0.1 . . mM . . . . 6559 1 6 EDTA . . . . . . . 0.1 . . mM . . . . 6559 1 7 H2O . . . . . . . 90 . . % . . . . 6559 1 8 D2O . . . . . . . 10 . . % . . . . 6559 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6559 _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 'Formin-binding protein 3' '[U-15N; U-13C]' . . 1 $FBP11WW1 . . 1.8 . . mM . . . . 6559 2 2 Formin . . . 2 $Formin . . 3.6 . . mM . . . . 6559 2 3 'phosphate buffer' . . . . . . . 10 . . mM . . . . 6559 2 4 Nacl . . . . . . . 100 . . mM . . . . 6559 2 5 DTT . . . . . . . 0.1 . . mM . . . . 6559 2 6 EDTA . . . . . . . 0.1 . . mM . . . . 6559 2 7 D2O . . . . . . . 100 . . % . . . . 6559 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6559 _Sample.ID 3 _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 'Formin-binding protein 3' [U-15N] . . 1 $FBP11WW1 . . 1.8 . . mM . . . . 6559 3 2 Formin . . . 2 $Formin . . 3.6 . . mM . . . . 6559 3 3 'phosphate buffer' . . . . . . . 10 . . mM . . . . 6559 3 4 Nacl . . . . . . . 100 . . mM . . . . 6559 3 5 DTT . . . . . . . 0.1 . . mM . . . . 6559 3 6 EDTA . . . . . . . 0.1 . . mM . . . . 6559 3 7 H2O . . . . . . . 90 . . % . . . . 6559 3 8 D2O . . . . . . . 10 . . % . . . . 6559 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6559 _Sample.ID 4 _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 'Formin-binding protein 3' . . . 1 $FBP11WW1 . . 1.8 . . mM . . . . 6559 4 2 Formin . . . 2 $Formin . . 3.6 . . mM . . . . 6559 4 3 'phosphate buffer' . . . . . . . 10 . . mM . . . . 6559 4 4 Nacl . . . . . . . 100 . . mM . . . . 6559 4 5 DTT . . . . . . . 0.1 . . mM . . . . 6559 4 6 EDTA . . . . . . . 0.1 . . mM . . . . 6559 4 7 H2O . . . . . . . 90 . . % . . . . 6559 4 8 D2O . . . . . . . 10 . . % . . . . 6559 4 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 6559 _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 6.0 . pH 6559 1 temperature 298 . K 6559 1 'ionic strength' 100 . mM 6559 1 pressure 1 . atm 6559 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 6559 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6559 1 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6559 _Software.ID 2 _Software.Name XWINNMR _Software.Version 3.2 _Software.Details 'Bruker AG' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'collection, processing' 6559 2 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6559 _Software.ID 3 _Software.Name Sparky _Software.Version 3.1 _Software.Details ; Goddard, T.D., Keneller, D.G., University of California San Francisco. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6559 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6559 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 6559 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 600 . . . 6559 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 6559 _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 triple-resonance . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6559 1 2 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6559 1 3 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6559 1 4 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6559 1 5 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6559 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 6559 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name triple-resonance _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 6559 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated NOESY' _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 6559 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 15N-separated NOESY' _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 6559 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D NOESY' _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 6559 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '2D 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 . _NMR_spec_expt.NMR_spectrometer_label . _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 6559 _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 . . . . . . ppm . . . . . . . . . . . . . 6559 1 C 13 . . . . . . ppm . . . . . . . . . . . . . 6559 1 N 15 . . . . . . ppm . . . . . . . . . . . . . 6559 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 6559 _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 . . 3 $sample_3 . 6559 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 GLY HA2 H 1 3.893 0.0 . . . . . . . . . . 6559 1 2 . 1 1 2 2 SER H H 1 8.645 0.0 . . . . . . . . . . 6559 1 3 . 1 1 2 2 SER HA H 1 4.457 0.0 . . . . . . . . . . 6559 1 4 . 1 1 2 2 SER HB2 H 1 3.849 0.0 . . . . . . . . . . 6559 1 5 . 1 1 2 2 SER N N 15 115.926 0.0 . . . . . . . . . . 6559 1 6 . 1 1 3 3 ARG H H 1 8.511 0.0 . . . . . . . . . . 6559 1 7 . 1 1 3 3 ARG HA H 1 4.309 0.0 . . . . . . . . . . 6559 1 8 . 1 1 3 3 ARG HB2 H 1 1.832 0.0 . . . . . . . . . . 6559 1 9 . 1 1 3 3 ARG HG2 H 1 1.631 0.0 . . . . . . . . . . 6559 1 10 . 1 1 3 3 ARG HD2 H 1 3.191 0.0 . . . . . . . . . . 6559 1 11 . 1 1 3 3 ARG N N 15 123.520 0.0 . . . . . . . . . . 6559 1 12 . 1 1 4 4 ARG H H 1 8.410 0.0 . . . . . . . . . . 6559 1 13 . 1 1 4 4 ARG HA H 1 4.316 0.0 . . . . . . . . . . 6559 1 14 . 1 1 4 4 ARG HB2 H 1 1.827 0.0 . . . . . . . . . . 6559 1 15 . 1 1 4 4 ARG HG2 H 1 1.633 0.0 . . . . . . . . . . 6559 1 16 . 1 1 4 4 ARG HD2 H 1 3.191 0.0 . . . . . . . . . . 6559 1 17 . 1 1 4 4 ARG N N 15 123.216 0.0 . . . . . . . . . . 6559 1 18 . 1 1 5 5 ALA H H 1 8.386 0.0 . . . . . . . . . . 6559 1 19 . 1 1 5 5 ALA HA H 1 4.310 0.0 . . . . . . . . . . 6559 1 20 . 1 1 5 5 ALA HB1 H 1 1.388 0.0 . . . . . . . . . . 6559 1 21 . 1 1 5 5 ALA HB2 H 1 1.388 0.0 . . . . . . . . . . 6559 1 22 . 1 1 5 5 ALA HB3 H 1 1.388 0.0 . . . . . . . . . . 6559 1 23 . 1 1 5 5 ALA N N 15 125.950 0.0 . . . . . . . . . . 6559 1 24 . 1 1 6 6 SER H H 1 8.313 0.0 . . . . . . . . . . 6559 1 25 . 1 1 6 6 SER HA H 1 4.453 0.0 . . . . . . . . . . 6559 1 26 . 1 1 6 6 SER HB2 H 1 3.848 0.0 . . . . . . . . . . 6559 1 27 . 1 1 6 6 SER N N 15 115.706 0.0 . . . . . . . . . . 6559 1 28 . 1 1 7 7 VAL H H 1 8.184 0.0 . . . . . . . . . . 6559 1 29 . 1 1 7 7 VAL HA H 1 4.157 0.0 . . . . . . . . . . 6559 1 30 . 1 1 7 7 VAL HB H 1 2.067 0.0 . . . . . . . . . . 6559 1 31 . 1 1 7 7 VAL HG11 H 1 0.944 0.0 . . . . . . . . . . 6559 1 32 . 1 1 7 7 VAL HG12 H 1 0.944 0.0 . . . . . . . . . . 6559 1 33 . 1 1 7 7 VAL HG13 H 1 0.944 0.0 . . . . . . . . . . 6559 1 34 . 1 1 7 7 VAL N N 15 121.740 0.0 . . . . . . . . . . 6559 1 35 . 1 1 8 8 GLY H H 1 8.461 0.0 . . . . . . . . . . 6559 1 36 . 1 1 8 8 GLY HA2 H 1 3.982 0.0 . . . . . . . . . . 6559 1 37 . 1 1 8 8 GLY N N 15 112.472 0.0 . . . . . . . . . . 6559 1 38 . 1 1 9 9 SER H H 1 8.205 0.0 . . . . . . . . . . 6559 1 39 . 1 1 9 9 SER HA H 1 4.504 0.0 . . . . . . . . . . 6559 1 40 . 1 1 9 9 SER HB2 H 1 3.854 0.0 . . . . . . . . . . 6559 1 41 . 1 1 9 9 SER N N 15 115.878 0.0 . . . . . . . . . . 6559 1 42 . 1 1 10 10 ALA H H 1 8.389 0.0 . . . . . . . . . . 6559 1 43 . 1 1 10 10 ALA HA H 1 4.314 0.0 . . . . . . . . . . 6559 1 44 . 1 1 10 10 ALA HB1 H 1 1.387 0.0 . . . . . . . . . . 6559 1 45 . 1 1 10 10 ALA HB2 H 1 1.387 0.0 . . . . . . . . . . 6559 1 46 . 1 1 10 10 ALA HB3 H 1 1.387 0.0 . . . . . . . . . . 6559 1 47 . 1 1 10 10 ALA N N 15 125.953 0.0 . . . . . . . . . . 6559 1 48 . 1 1 11 11 LYS H H 1 8.227 0.0 . . . . . . . . . . 6559 1 49 . 1 1 11 11 LYS HA H 1 4.310 0.0 . . . . . . . . . . 6559 1 50 . 1 1 11 11 LYS HB2 H 1 1.779 0.0 . . . . . . . . . . 6559 1 51 . 1 1 11 11 LYS HG2 H 1 1.447 0.0 . . . . . . . . . . 6559 1 52 . 1 1 11 11 LYS HD2 H 1 1.674 0.0 . . . . . . . . . . 6559 1 53 . 1 1 11 11 LYS N N 15 119.903 0.0 . . . . . . . . . . 6559 1 54 . 1 1 12 12 SER H H 1 8.203 0.0 . . . . . . . . . . 6559 1 55 . 1 1 12 12 SER HA H 1 4.516 0.0 . . . . . . . . . . 6559 1 56 . 1 1 12 12 SER HB2 H 1 4.011 0.0 . . . . . . . . . . 6559 1 57 . 1 1 12 12 SER HB3 H 1 3.848 0.0 . . . . . . . . . . 6559 1 58 . 1 1 12 12 SER N N 15 115.883 0.0 . . . . . . . . . . 6559 1 59 . 1 1 13 13 MET H H 1 8.477 0.0 . . . . . . . . . . 6559 1 60 . 1 1 13 13 MET HA H 1 4.426 0.0 . . . . . . . . . . 6559 1 61 . 1 1 13 13 MET HB2 H 1 1.947 0.0 . . . . . . . . . . 6559 1 62 . 1 1 13 13 MET HB3 H 1 1.821 0.0 . . . . . . . . . . 6559 1 63 . 1 1 13 13 MET HG2 H 1 2.478 0.0 . . . . . . . . . . 6559 1 64 . 1 1 13 13 MET HG3 H 1 2.335 0.0 . . . . . . . . . . 6559 1 65 . 1 1 13 13 MET N N 15 122.831 0.0 . . . . . . . . . . 6559 1 66 . 1 1 14 14 TRP H H 1 8.113 0.0 . . . . . . . . . . 6559 1 67 . 1 1 14 14 TRP HA H 1 5.234 0.0 . . . . . . . . . . 6559 1 68 . 1 1 14 14 TRP HB2 H 1 3.173 0.0 . . . . . . . . . . 6559 1 69 . 1 1 14 14 TRP HB3 H 1 3.068 0.0 . . . . . . . . . . 6559 1 70 . 1 1 14 14 TRP HD1 H 1 7.334 0.0 . . . . . . . . . . 6559 1 71 . 1 1 14 14 TRP HE1 H 1 10.348 0.0 . . . . . . . . . . 6559 1 72 . 1 1 14 14 TRP HE3 H 1 7.395 0.0 . . . . . . . . . . 6559 1 73 . 1 1 14 14 TRP HZ2 H 1 7.505 0.0 . . . . . . . . . . 6559 1 74 . 1 1 14 14 TRP HZ3 H 1 7.003 0.0 . . . . . . . . . . 6559 1 75 . 1 1 14 14 TRP HH2 H 1 7.056 0.0 . . . . . . . . . . 6559 1 76 . 1 1 14 14 TRP N N 15 119.397 0.0 . . . . . . . . . . 6559 1 77 . 1 1 14 14 TRP NE1 N 15 129.756 0.0 . . . . . . . . . . 6559 1 78 . 1 1 15 15 THR H H 1 9.403 0.0 . . . . . . . . . . 6559 1 79 . 1 1 15 15 THR HA H 1 4.843 0.0 . . . . . . . . . . 6559 1 80 . 1 1 15 15 THR HB H 1 4.244 0.0 . . . . . . . . . . 6559 1 81 . 1 1 15 15 THR HG21 H 1 1.320 0.0 . . . . . . . . . . 6559 1 82 . 1 1 15 15 THR HG22 H 1 1.320 0.0 . . . . . . . . . . 6559 1 83 . 1 1 15 15 THR HG23 H 1 1.320 0.0 . . . . . . . . . . 6559 1 84 . 1 1 15 15 THR N N 15 114.754 0.0 . . . . . . . . . . 6559 1 85 . 1 1 16 16 GLU H H 1 8.696 0.0 . . . . . . . . . . 6559 1 86 . 1 1 16 16 GLU HA H 1 4.595 0.0 . . . . . . . . . . 6559 1 87 . 1 1 16 16 GLU HB2 H 1 1.781 0.0 . . . . . . . . . . 6559 1 88 . 1 1 16 16 GLU HG2 H 1 2.102 0.0 . . . . . . . . . . 6559 1 89 . 1 1 16 16 GLU N N 15 123.733 0.0 . . . . . . . . . . 6559 1 90 . 1 1 17 17 HIS H H 1 8.544 0.0 . . . . . . . . . . 6559 1 91 . 1 1 17 17 HIS HA H 1 4.447 0.0 . . . . . . . . . . 6559 1 92 . 1 1 17 17 HIS HB2 H 1 2.656 0.0 . . . . . . . . . . 6559 1 93 . 1 1 17 17 HIS HB3 H 1 1.182 0.0 . . . . . . . . . . 6559 1 94 . 1 1 17 17 HIS HD2 H 1 6.675 0.0 . . . . . . . . . . 6559 1 95 . 1 1 17 17 HIS HE1 H 1 8.623 0.0 . . . . . . . . . . 6559 1 96 . 1 1 17 17 HIS N N 15 121.577 0.0 . . . . . . . . . . 6559 1 97 . 1 1 18 18 LYS H H 1 8.410 0.0 . . . . . . . . . . 6559 1 98 . 1 1 18 18 LYS HA H 1 5.153 0.0 . . . . . . . . . . 6559 1 99 . 1 1 18 18 LYS HB2 H 1 1.693 0.0 . . . . . . . . . . 6559 1 100 . 1 1 18 18 LYS HG2 H 1 1.394 0.0 . . . . . . . . . . 6559 1 101 . 1 1 18 18 LYS HD2 H 1 1.610 0.0 . . . . . . . . . . 6559 1 102 . 1 1 18 18 LYS HE2 H 1 2.927 0.0 . . . . . . . . . . 6559 1 103 . 1 1 18 18 LYS N N 15 119.326 0.0 . . . . . . . . . . 6559 1 104 . 1 1 19 19 SER H H 1 9.611 0.0 . . . . . . . . . . 6559 1 105 . 1 1 19 19 SER HB2 H 1 4.593 0.0 . . . . . . . . . . 6559 1 106 . 1 1 19 19 SER HB3 H 1 4.168 0.0 . . . . . . . . . . 6559 1 107 . 1 1 19 19 SER N N 15 121.691 0.0 . . . . . . . . . . 6559 1 108 . 1 1 20 20 PRO HA H 1 4.428 0.0 . . . . . . . . . . 6559 1 109 . 1 1 20 20 PRO HB2 H 1 2.438 0.0 . . . . . . . . . . 6559 1 110 . 1 1 20 20 PRO HG2 H 1 2.078 0.0 . . . . . . . . . . 6559 1 111 . 1 1 20 20 PRO HD2 H 1 4.025 0.0 . . . . . . . . . . 6559 1 112 . 1 1 20 20 PRO HD3 H 1 3.930 0.0 . . . . . . . . . . 6559 1 113 . 1 1 21 21 ASP H H 1 7.894 0.0 . . . . . . . . . . 6559 1 114 . 1 1 21 21 ASP HB2 H 1 3.072 0.0 . . . . . . . . . . 6559 1 115 . 1 1 21 21 ASP HB3 H 1 2.817 0.0 . . . . . . . . . . 6559 1 116 . 1 1 21 21 ASP N N 15 112.108 0.0 . . . . . . . . . . 6559 1 117 . 1 1 22 22 GLY H H 1 8.326 0.0 . . . . . . . . . . 6559 1 118 . 1 1 22 22 GLY HA2 H 1 4.332 0.0 . . . . . . . . . . 6559 1 119 . 1 1 22 22 GLY HA3 H 1 3.624 0.0 . . . . . . . . . . 6559 1 120 . 1 1 22 22 GLY N N 15 108.396 0.0 . . . . . . . . . . 6559 1 121 . 1 1 23 23 ARG H H 1 7.791 0.0 . . . . . . . . . . 6559 1 122 . 1 1 23 23 ARG HA H 1 4.503 0.0 . . . . . . . . . . 6559 1 123 . 1 1 23 23 ARG HB2 H 1 1.935 0.0 . . . . . . . . . . 6559 1 124 . 1 1 23 23 ARG HB3 H 1 1.850 0.0 . . . . . . . . . . 6559 1 125 . 1 1 23 23 ARG HG2 H 1 1.627 0.0 . . . . . . . . . . 6559 1 126 . 1 1 23 23 ARG HD2 H 1 2.528 0.0 . . . . . . . . . . 6559 1 127 . 1 1 23 23 ARG N N 15 121.533 0.0 . . . . . . . . . . 6559 1 128 . 1 1 24 24 THR H H 1 8.884 0.0 . . . . . . . . . . 6559 1 129 . 1 1 24 24 THR HA H 1 4.934 0.0 . . . . . . . . . . 6559 1 130 . 1 1 24 24 THR HB H 1 4.031 0.0 . . . . . . . . . . 6559 1 131 . 1 1 24 24 THR HG21 H 1 0.913 0.0 . . . . . . . . . . 6559 1 132 . 1 1 24 24 THR HG22 H 1 0.913 0.0 . . . . . . . . . . 6559 1 133 . 1 1 24 24 THR HG23 H 1 0.913 0.0 . . . . . . . . . . 6559 1 134 . 1 1 24 24 THR N N 15 122.103 0.0 . . . . . . . . . . 6559 1 135 . 1 1 25 25 TYR H H 1 8.886 0.0 . . . . . . . . . . 6559 1 136 . 1 1 25 25 TYR HA H 1 4.987 0.0 . . . . . . . . . . 6559 1 137 . 1 1 25 25 TYR HB2 H 1 2.699 0.0 . . . . . . . . . . 6559 1 138 . 1 1 25 25 TYR HB3 H 1 2.385 0.0 . . . . . . . . . . 6559 1 139 . 1 1 25 25 TYR HD1 H 1 6.841 0.0 . . . . . . . . . . 6559 1 140 . 1 1 25 25 TYR HE1 H 1 6.245 0.0 . . . . . . . . . . 6559 1 141 . 1 1 25 25 TYR N N 15 122.111 0.0 . . . . . . . . . . 6559 1 142 . 1 1 26 26 TYR H H 1 9.013 0.0 . . . . . . . . . . 6559 1 143 . 1 1 26 26 TYR HA H 1 5.376 0.0 . . . . . . . . . . 6559 1 144 . 1 1 26 26 TYR HB2 H 1 2.889 0.0 . . . . . . . . . . 6559 1 145 . 1 1 26 26 TYR HB3 H 1 2.716 0.0 . . . . . . . . . . 6559 1 146 . 1 1 26 26 TYR HD1 H 1 6.837 0.0 . . . . . . . . . . 6559 1 147 . 1 1 26 26 TYR HE1 H 1 6.688 0.0 . . . . . . . . . . 6559 1 148 . 1 1 26 26 TYR N N 15 118.099 0.0 . . . . . . . . . . 6559 1 149 . 1 1 27 27 TYR H H 1 9.454 0.0 . . . . . . . . . . 6559 1 150 . 1 1 27 27 TYR HA H 1 5.724 0.0 . . . . . . . . . . 6559 1 151 . 1 1 27 27 TYR HB2 H 1 2.694 0.0 . . . . . . . . . . 6559 1 152 . 1 1 27 27 TYR HD1 H 1 6.979 0.0 . . . . . . . . . . 6559 1 153 . 1 1 27 27 TYR HE1 H 1 6.581 0.0 . . . . . . . . . . 6559 1 154 . 1 1 27 27 TYR N N 15 123.416 0.0 . . . . . . . . . . 6559 1 155 . 1 1 28 28 ASN H H 1 8.165 0.0 . . . . . . . . . . 6559 1 156 . 1 1 28 28 ASN HA H 1 4.442 0.0 . . . . . . . . . . 6559 1 157 . 1 1 28 28 ASN HB2 H 1 2.300 0.0 . . . . . . . . . . 6559 1 158 . 1 1 28 28 ASN HB3 H 1 0.035 0.0 . . . . . . . . . . 6559 1 159 . 1 1 28 28 ASN HD21 H 1 6.630 0.0 . . . . . . . . . . 6559 1 160 . 1 1 28 28 ASN N N 15 130.682 0.0 . . . . . . . . . . 6559 1 161 . 1 1 28 28 ASN ND2 N 15 111.691 0.0 . . . . . . . . . . 6559 1 162 . 1 1 29 29 THR H H 1 8.316 0.0 . . . . . . . . . . 6559 1 163 . 1 1 29 29 THR HA H 1 3.670 0.0 . . . . . . . . . . 6559 1 164 . 1 1 29 29 THR HB H 1 4.275 0.0 . . . . . . . . . . 6559 1 165 . 1 1 29 29 THR HG21 H 1 1.383 0.0 . . . . . . . . . . 6559 1 166 . 1 1 29 29 THR HG22 H 1 1.383 0.0 . . . . . . . . . . 6559 1 167 . 1 1 29 29 THR HG23 H 1 1.383 0.0 . . . . . . . . . . 6559 1 168 . 1 1 29 29 THR N N 15 116.844 0.0 . . . . . . . . . . 6559 1 169 . 1 1 30 30 GLU H H 1 8.146 0.0 . . . . . . . . . . 6559 1 170 . 1 1 30 30 GLU HA H 1 4.293 0.0 . . . . . . . . . . 6559 1 171 . 1 1 30 30 GLU HB2 H 1 2.070 0.0 . . . . . . . . . . 6559 1 172 . 1 1 30 30 GLU HG2 H 1 2.301 0.0 . . . . . . . . . . 6559 1 173 . 1 1 30 30 GLU N N 15 120.577 0.0 . . . . . . . . . . 6559 1 174 . 1 1 31 31 THR H H 1 7.751 0.0 . . . . . . . . . . 6559 1 175 . 1 1 31 31 THR HA H 1 4.088 0.0 . . . . . . . . . . 6559 1 176 . 1 1 31 31 THR HB H 1 4.249 0.0 . . . . . . . . . . 6559 1 177 . 1 1 31 31 THR HG21 H 1 0.942 0.0 . . . . . . . . . . 6559 1 178 . 1 1 31 31 THR HG22 H 1 0.942 0.0 . . . . . . . . . . 6559 1 179 . 1 1 31 31 THR HG23 H 1 0.942 0.0 . . . . . . . . . . 6559 1 180 . 1 1 31 31 THR N N 15 109.004 0.0 . . . . . . . . . . 6559 1 181 . 1 1 32 32 LYS H H 1 7.909 0.0 . . . . . . . . . . 6559 1 182 . 1 1 32 32 LYS HA H 1 3.630 0.0 . . . . . . . . . . 6559 1 183 . 1 1 32 32 LYS HB2 H 1 2.101 0.0 . . . . . . . . . . 6559 1 184 . 1 1 32 32 LYS HB3 H 1 2.050 0.0 . . . . . . . . . . 6559 1 185 . 1 1 32 32 LYS HG2 H 1 1.192 0.0 . . . . . . . . . . 6559 1 186 . 1 1 32 32 LYS HD2 H 1 1.610 0.0 . . . . . . . . . . 6559 1 187 . 1 1 32 32 LYS HE2 H 1 2.966 0.0 . . . . . . . . . . 6559 1 188 . 1 1 32 32 LYS N N 15 116.348 0.0 . . . . . . . . . . 6559 1 189 . 1 1 33 33 GLN H H 1 6.998 0.0 . . . . . . . . . . 6559 1 190 . 1 1 33 33 GLN HA H 1 4.450 0.0 . . . . . . . . . . 6559 1 191 . 1 1 33 33 GLN HB2 H 1 2.030 0.0 . . . . . . . . . . 6559 1 192 . 1 1 33 33 GLN HB3 H 1 1.730 0.0 . . . . . . . . . . 6559 1 193 . 1 1 33 33 GLN HG2 H 1 2.292 0.0 . . . . . . . . . . 6559 1 194 . 1 1 33 33 GLN HE21 H 1 7.575 0.0 . . . . . . . . . . 6559 1 195 . 1 1 33 33 GLN HE22 H 1 6.964 0.0 . . . . . . . . . . 6559 1 196 . 1 1 33 33 GLN N N 15 117.556 0.0 . . . . . . . . . . 6559 1 197 . 1 1 33 33 GLN NE2 N 15 112.755 0.0 . . . . . . . . . . 6559 1 198 . 1 1 34 34 SER H H 1 8.488 0.0 . . . . . . . . . . 6559 1 199 . 1 1 34 34 SER HA H 1 6.105 0.0 . . . . . . . . . . 6559 1 200 . 1 1 34 34 SER HB2 H 1 3.652 0.0 . . . . . . . . . . 6559 1 201 . 1 1 34 34 SER HB3 H 1 3.578 0.0 . . . . . . . . . . 6559 1 202 . 1 1 34 34 SER N N 15 117.466 0.0 . . . . . . . . . . 6559 1 203 . 1 1 35 35 THR H H 1 9.442 0.0 . . . . . . . . . . 6559 1 204 . 1 1 35 35 THR HB H 1 4.216 0.0 . . . . . . . . . . 6559 1 205 . 1 1 35 35 THR HG21 H 1 1.194 0.0 . . . . . . . . . . 6559 1 206 . 1 1 35 35 THR HG22 H 1 1.194 0.0 . . . . . . . . . . 6559 1 207 . 1 1 35 35 THR HG23 H 1 1.194 0.0 . . . . . . . . . . 6559 1 208 . 1 1 35 35 THR N N 15 117.930 0.0 . . . . . . . . . . 6559 1 209 . 1 1 36 36 TRP H H 1 8.648 0.0 . . . . . . . . . . 6559 1 210 . 1 1 36 36 TRP HA H 1 5.143 0.0 . . . . . . . . . . 6559 1 211 . 1 1 36 36 TRP HB2 H 1 3.671 0.0 . . . . . . . . . . 6559 1 212 . 1 1 36 36 TRP HB3 H 1 3.173 0.0 . . . . . . . . . . 6559 1 213 . 1 1 36 36 TRP HD1 H 1 7.361 0.0 . . . . . . . . . . 6559 1 214 . 1 1 36 36 TRP HE1 H 1 9.988 0.0 . . . . . . . . . . 6559 1 215 . 1 1 36 36 TRP HE3 H 1 8.134 0.0 . . . . . . . . . . 6559 1 216 . 1 1 36 36 TRP HZ2 H 1 7.347 0.0 . . . . . . . . . . 6559 1 217 . 1 1 36 36 TRP HZ3 H 1 6.897 0.0 . . . . . . . . . . 6559 1 218 . 1 1 36 36 TRP HH2 H 1 7.077 0.0 . . . . . . . . . . 6559 1 219 . 1 1 36 36 TRP N N 15 125.316 0.0 . . . . . . . . . . 6559 1 220 . 1 1 36 36 TRP NE1 N 15 129.030 0.0 . . . . . . . . . . 6559 1 221 . 1 1 37 37 GLU HA H 1 4.447 0.0 . . . . . . . . . . 6559 1 222 . 1 1 37 37 GLU HB3 H 1 1.855 0.0 . . . . . . . . . . 6559 1 223 . 1 1 37 37 GLU HG2 H 1 2.382 0.0 . . . . . . . . . . 6559 1 224 . 1 1 37 37 GLU H H 1 8.201 0.0 . . . . . . . . . . 6559 1 225 . 1 1 37 37 GLU N N 15 119.356 0.0 . . . . . . . . . . 6559 1 226 . 1 1 38 38 LYS H H 1 8.218 0.0 . . . . . . . . . . 6559 1 227 . 1 1 38 38 LYS HA H 1 2.914 0.0 . . . . . . . . . . 6559 1 228 . 1 1 38 38 LYS HB2 H 1 1.356 0.0 . . . . . . . . . . 6559 1 229 . 1 1 38 38 LYS HB3 H 1 1.271 0.0 . . . . . . . . . . 6559 1 230 . 1 1 38 38 LYS HG2 H 1 1.019 0.0 . . . . . . . . . . 6559 1 231 . 1 1 38 38 LYS HG3 H 1 0.822 0.0 . . . . . . . . . . 6559 1 232 . 1 1 38 38 LYS N N 15 126.629 0.0 . . . . . . . . . . 6559 1 233 . 1 1 39 39 PRO HA H 1 3.930 0.0 . . . . . . . . . . 6559 1 234 . 1 1 39 39 PRO HB2 H 1 1.171 0.0 . . . . . . . . . . 6559 1 235 . 1 1 39 39 PRO HG2 H 1 0.777 0.0 . . . . . . . . . . 6559 1 236 . 1 1 39 39 PRO HG3 H 1 0.385 0.0 . . . . . . . . . . 6559 1 237 . 1 1 39 39 PRO HD2 H 1 2.511 0.0 . . . . . . . . . . 6559 1 238 . 1 1 39 39 PRO HD3 H 1 2.338 0.0 . . . . . . . . . . 6559 1 239 . 1 1 40 40 ASP H H 1 8.266 0.0 . . . . . . . . . . 6559 1 240 . 1 1 40 40 ASP HA H 1 4.570 0.0 . . . . . . . . . . 6559 1 241 . 1 1 40 40 ASP HB2 H 1 2.815 0.0 . . . . . . . . . . 6559 1 242 . 1 1 40 40 ASP HB3 H 1 2.746 0.0 . . . . . . . . . . 6559 1 243 . 1 1 40 40 ASP N N 15 119.715 0.0 . . . . . . . . . . 6559 1 244 . 1 1 41 41 ASP H H 1 7.839 0.0 . . . . . . . . . . 6559 1 245 . 1 1 41 41 ASP N N 15 123.126 0.0 . . . . . . . . . . 6559 1 stop_ save_ save_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 6559 _Assigned_chem_shift_list.ID 2 _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 . . 3 $sample_3 . 6559 2 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 . 2 2 1 1 ALA HA H 1 4.545 0.0 . . . . . . . . . . 6559 2 2 . 2 2 1 1 ALA HB1 H 1 1.300 0.0 . . . . . . . . . . 6559 2 3 . 2 2 1 1 ALA HB2 H 1 1.300 0.0 . . . . . . . . . . 6559 2 4 . 2 2 1 1 ALA HB3 H 1 1.300 0.0 . . . . . . . . . . 6559 2 5 . 2 2 2 2 PRO HA H 1 4.678 0.0 . . . . . . . . . . 6559 2 6 . 2 2 2 2 PRO HB2 H 1 2.286 0.0 . . . . . . . . . . 6559 2 7 . 2 2 2 2 PRO HB3 H 1 1.990 0.0 . . . . . . . . . . 6559 2 8 . 2 2 2 2 PRO HG2 H 1 1.880 0.0 . . . . . . . . . . 6559 2 9 . 2 2 2 2 PRO HD2 H 1 3.793 0.0 . . . . . . . . . . 6559 2 10 . 2 2 2 2 PRO HD3 H 1 3.580 0.0 . . . . . . . . . . 6559 2 11 . 2 2 3 3 PRO HA H 1 4.427 0.0 . . . . . . . . . . 6559 2 12 . 2 2 3 3 PRO HB2 H 1 2.222 0.0 . . . . . . . . . . 6559 2 13 . 2 2 3 3 PRO HB3 H 1 1.962 0.0 . . . . . . . . . . 6559 2 14 . 2 2 3 3 PRO HG2 H 1 1.849 0.0 . . . . . . . . . . 6559 2 15 . 2 2 3 3 PRO HD2 H 1 3.757 0.0 . . . . . . . . . . 6559 2 16 . 2 2 3 3 PRO HD3 H 1 3.589 0.0 . . . . . . . . . . 6559 2 17 . 2 2 4 4 THR HA H 1 4.502 0.0 . . . . . . . . . . 6559 2 18 . 2 2 4 4 THR HB H 1 4.038 0.0 . . . . . . . . . . 6559 2 19 . 2 2 4 4 THR HG21 H 1 1.209 0.0 . . . . . . . . . . 6559 2 20 . 2 2 4 4 THR HG22 H 1 1.209 0.0 . . . . . . . . . . 6559 2 21 . 2 2 4 4 THR HG23 H 1 1.209 0.0 . . . . . . . . . . 6559 2 22 . 2 2 5 5 PRO HA H 1 4.608 0.0 . . . . . . . . . . 6559 2 23 . 2 2 5 5 PRO HB2 H 1 2.292 0.0 . . . . . . . . . . 6559 2 24 . 2 2 5 5 PRO HG2 H 1 1.914 0.0 . . . . . . . . . . 6559 2 25 . 2 2 5 5 PRO HD2 H 1 3.816 0.0 . . . . . . . . . . 6559 2 26 . 2 2 6 6 PRO HA H 1 4.631 0.0 . . . . . . . . . . 6559 2 27 . 2 2 6 6 PRO HB2 H 1 2.121 0.0 . . . . . . . . . . 6559 2 28 . 2 2 6 6 PRO HB3 H 1 1.883 0.0 . . . . . . . . . . 6559 2 29 . 2 2 6 6 PRO HG2 H 1 1.814 0.0 . . . . . . . . . . 6559 2 30 . 2 2 6 6 PRO HD2 H 1 3.713 0.0 . . . . . . . . . . 6559 2 31 . 2 2 6 6 PRO HD3 H 1 3.490 0.0 . . . . . . . . . . 6559 2 32 . 2 2 7 7 PRO HA H 1 4.386 0.0 . . . . . . . . . . 6559 2 33 . 2 2 7 7 PRO HB2 H 1 2.213 0.0 . . . . . . . . . . 6559 2 34 . 2 2 7 7 PRO HB3 H 1 1.957 0.0 . . . . . . . . . . 6559 2 35 . 2 2 7 7 PRO HG2 H 1 1.847 0.0 . . . . . . . . . . 6559 2 36 . 2 2 7 7 PRO HD2 H 1 3.727 0.0 . . . . . . . . . . 6559 2 37 . 2 2 7 7 PRO HD3 H 1 3.540 0.0 . . . . . . . . . . 6559 2 38 . 2 2 8 8 LEU H H 1 8.177 0.0 . . . . . . . . . . 6559 2 39 . 2 2 8 8 LEU HA H 1 4.470 0.0 . . . . . . . . . . 6559 2 40 . 2 2 8 8 LEU HB2 H 1 1.674 0.0 . . . . . . . . . . 6559 2 41 . 2 2 8 8 LEU HB3 H 1 1.524 0.0 . . . . . . . . . . 6559 2 42 . 2 2 8 8 LEU HG H 1 1.494 0.0 . . . . . . . . . . 6559 2 43 . 2 2 8 8 LEU HD11 H 1 0.923 0.0 . . . . . . . . . . 6559 2 44 . 2 2 8 8 LEU HD12 H 1 0.923 0.0 . . . . . . . . . . 6559 2 45 . 2 2 8 8 LEU HD13 H 1 0.923 0.0 . . . . . . . . . . 6559 2 46 . 2 2 8 8 LEU HD21 H 1 0.871 0.0 . . . . . . . . . . 6559 2 47 . 2 2 8 8 LEU HD22 H 1 0.871 0.0 . . . . . . . . . . 6559 2 48 . 2 2 8 8 LEU HD23 H 1 0.871 0.0 . . . . . . . . . . 6559 2 49 . 2 2 9 9 PRO HA H 1 4.630 0.0 . . . . . . . . . . 6559 2 50 . 2 2 9 9 PRO HB2 H 1 2.115 0.0 . . . . . . . . . . 6559 2 51 . 2 2 9 9 PRO HB3 H 1 1.886 0.0 . . . . . . . . . . 6559 2 52 . 2 2 9 9 PRO HG2 H 1 1.832 0.0 . . . . . . . . . . 6559 2 53 . 2 2 9 9 PRO HD2 H 1 3.713 0.0 . . . . . . . . . . 6559 2 54 . 2 2 9 9 PRO HD3 H 1 3.474 0.0 . . . . . . . . . . 6559 2 55 . 2 2 10 10 PRO HA H 1 4.367 0.0 . . . . . . . . . . 6559 2 56 . 2 2 10 10 PRO HB2 H 1 2.267 0.0 . . . . . . . . . . 6559 2 57 . 2 2 10 10 PRO HB3 H 1 2.002 0.0 . . . . . . . . . . 6559 2 58 . 2 2 10 10 PRO HG2 H 1 1.913 0.0 . . . . . . . . . . 6559 2 59 . 2 2 10 10 PRO HD2 H 1 3.787 0.0 . . . . . . . . . . 6559 2 60 . 2 2 10 10 PRO HD3 H 1 3.620 0.0 . . . . . . . . . . 6559 2 stop_ save_ save_chemical_shift_set_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_3 _Assigned_chem_shift_list.Entry_ID 6559 _Assigned_chem_shift_list.ID 3 _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 $sample_1 . 6559 3 . . 2 $sample_2 . 6559 3 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 GLY HA2 H 1 3.893 0.0 . . . . . . . . . . 6559 3 2 . 1 1 1 1 GLY CA C 13 43.374 0.0 . . . . . . . . . . 6559 3 3 . 1 1 2 2 SER HA H 1 4.457 0.0 . . . . . . . . . . 6559 3 4 . 1 1 2 2 SER HB2 H 1 3.849 0.0 . . . . . . . . . . 6559 3 5 . 1 1 2 2 SER CA C 13 58.331 0.0 . . . . . . . . . . 6559 3 6 . 1 1 2 2 SER CB C 13 64.103 0.0 . . . . . . . . . . 6559 3 7 . 1 1 3 3 ARG HA H 1 4.309 0.0 . . . . . . . . . . 6559 3 8 . 1 1 3 3 ARG HB2 H 1 1.832 0.0 . . . . . . . . . . 6559 3 9 . 1 1 3 3 ARG HG2 H 1 1.631 0.0 . . . . . . . . . . 6559 3 10 . 1 1 3 3 ARG HD2 H 1 3.191 0.0 . . . . . . . . . . 6559 3 11 . 1 1 3 3 ARG CA C 13 56.392 0.0 . . . . . . . . . . 6559 3 12 . 1 1 3 3 ARG CB C 13 30.802 0.0 . . . . . . . . . . 6559 3 13 . 1 1 3 3 ARG CG C 13 27.291 0.0 . . . . . . . . . . 6559 3 14 . 1 1 3 3 ARG CD C 13 43.463 0.0 . . . . . . . . . . 6559 3 15 . 1 1 4 4 ARG HA H 1 4.316 0.0 . . . . . . . . . . 6559 3 16 . 1 1 4 4 ARG HB2 H 1 1.827 0.0 . . . . . . . . . . 6559 3 17 . 1 1 4 4 ARG HG2 H 1 1.633 0.0 . . . . . . . . . . 6559 3 18 . 1 1 4 4 ARG HD2 H 1 3.191 0.0 . . . . . . . . . . 6559 3 19 . 1 1 4 4 ARG CA C 13 56.458 0.0 . . . . . . . . . . 6559 3 20 . 1 1 4 4 ARG CB C 13 30.813 0.0 . . . . . . . . . . 6559 3 21 . 1 1 4 4 ARG CG C 13 27.296 0.0 . . . . . . . . . . 6559 3 22 . 1 1 4 4 ARG CD C 13 43.487 0.0 . . . . . . . . . . 6559 3 23 . 1 1 5 5 ALA HA H 1 4.310 0.0 . . . . . . . . . . 6559 3 24 . 1 1 5 5 ALA HB1 H 1 1.388 0.0 . . . . . . . . . . 6559 3 25 . 1 1 5 5 ALA HB2 H 1 1.388 0.0 . . . . . . . . . . 6559 3 26 . 1 1 5 5 ALA HB3 H 1 1.388 0.0 . . . . . . . . . . 6559 3 27 . 1 1 5 5 ALA CA C 13 52.873 0.0 . . . . . . . . . . 6559 3 28 . 1 1 5 5 ALA CB C 13 19.334 0.0 . . . . . . . . . . 6559 3 29 . 1 1 6 6 SER HA H 1 4.453 0.0 . . . . . . . . . . 6559 3 30 . 1 1 6 6 SER HB2 H 1 3.848 0.0 . . . . . . . . . . 6559 3 31 . 1 1 6 6 SER CA C 13 58.354 0.0 . . . . . . . . . . 6559 3 32 . 1 1 6 6 SER CB C 13 64.131 0.0 . . . . . . . . . . 6559 3 33 . 1 1 7 7 VAL HA H 1 4.157 0.0 . . . . . . . . . . 6559 3 34 . 1 1 7 7 VAL HB H 1 2.067 0.0 . . . . . . . . . . 6559 3 35 . 1 1 7 7 VAL HG11 H 1 0.944 0.0 . . . . . . . . . . 6559 3 36 . 1 1 7 7 VAL HG12 H 1 0.944 0.0 . . . . . . . . . . 6559 3 37 . 1 1 7 7 VAL HG13 H 1 0.944 0.0 . . . . . . . . . . 6559 3 38 . 1 1 7 7 VAL CA C 13 62.755 0.0 . . . . . . . . . . 6559 3 39 . 1 1 7 7 VAL CB C 13 32.617 0.0 . . . . . . . . . . 6559 3 40 . 1 1 7 7 VAL CG1 C 13 20.972 0.0 . . . . . . . . . . 6559 3 41 . 1 1 8 8 GLY HA2 H 1 3.982 0.0 . . . . . . . . . . 6559 3 42 . 1 1 8 8 GLY CA C 13 45.407 0.0 . . . . . . . . . . 6559 3 43 . 1 1 9 9 SER HA H 1 4.504 0.0 . . . . . . . . . . 6559 3 44 . 1 1 9 9 SER HB2 H 1 3.854 0.0 . . . . . . . . . . 6559 3 45 . 1 1 9 9 SER CA C 13 58.381 0.0 . . . . . . . . . . 6559 3 46 . 1 1 9 9 SER CB C 13 64.131 0.0 . . . . . . . . . . 6559 3 47 . 1 1 10 10 ALA HA H 1 4.314 0.0 . . . . . . . . . . 6559 3 48 . 1 1 10 10 ALA HB1 H 1 1.387 0.0 . . . . . . . . . . 6559 3 49 . 1 1 10 10 ALA HB2 H 1 1.387 0.0 . . . . . . . . . . 6559 3 50 . 1 1 10 10 ALA HB3 H 1 1.387 0.0 . . . . . . . . . . 6559 3 51 . 1 1 10 10 ALA CA C 13 52.863 0.0 . . . . . . . . . . 6559 3 52 . 1 1 10 10 ALA CB C 13 19.349 0.0 . . . . . . . . . . 6559 3 53 . 1 1 11 11 LYS HA H 1 4.310 0.0 . . . . . . . . . . 6559 3 54 . 1 1 11 11 LYS HB2 H 1 1.779 0.0 . . . . . . . . . . 6559 3 55 . 1 1 11 11 LYS HG2 H 1 1.447 0.0 . . . . . . . . . . 6559 3 56 . 1 1 11 11 LYS HD2 H 1 1.674 0.0 . . . . . . . . . . 6559 3 57 . 1 1 11 11 LYS CA C 13 56.413 0.0 . . . . . . . . . . 6559 3 58 . 1 1 11 11 LYS CB C 13 33.079 0.0 . . . . . . . . . . 6559 3 59 . 1 1 11 11 LYS CG C 13 24.950 0.0 . . . . . . . . . . 6559 3 60 . 1 1 11 11 LYS CD C 13 29.216 0.0 . . . . . . . . . . 6559 3 61 . 1 1 12 12 SER HA H 1 4.516 0.0 . . . . . . . . . . 6559 3 62 . 1 1 12 12 SER HB2 H 1 4.011 0.0 . . . . . . . . . . 6559 3 63 . 1 1 12 12 SER HB3 H 1 3.848 0.0 . . . . . . . . . . 6559 3 64 . 1 1 12 12 SER CA C 13 58.034 0.0 . . . . . . . . . . 6559 3 65 . 1 1 12 12 SER CB C 13 64.084 0.0 . . . . . . . . . . 6559 3 66 . 1 1 13 13 MET HA H 1 4.426 0.0 . . . . . . . . . . 6559 3 67 . 1 1 13 13 MET HB2 H 1 1.947 0.0 . . . . . . . . . . 6559 3 68 . 1 1 13 13 MET HB3 H 1 1.821 0.0 . . . . . . . . . . 6559 3 69 . 1 1 13 13 MET HG2 H 1 2.478 0.0 . . . . . . . . . . 6559 3 70 . 1 1 13 13 MET HG3 H 1 2.335 0.0 . . . . . . . . . . 6559 3 71 . 1 1 13 13 MET CA C 13 55.405 0.0 . . . . . . . . . . 6559 3 72 . 1 1 13 13 MET CB C 13 32.160 0.0 . . . . . . . . . . 6559 3 73 . 1 1 13 13 MET CG C 13 32.307 0.0 . . . . . . . . . . 6559 3 74 . 1 1 14 14 TRP HA H 1 5.234 0.0 . . . . . . . . . . 6559 3 75 . 1 1 14 14 TRP HB2 H 1 3.173 0.0 . . . . . . . . . . 6559 3 76 . 1 1 14 14 TRP HB3 H 1 3.068 0.0 . . . . . . . . . . 6559 3 77 . 1 1 14 14 TRP HD1 H 1 7.334 0.0 . . . . . . . . . . 6559 3 78 . 1 1 14 14 TRP HE3 H 1 7.395 0.0 . . . . . . . . . . 6559 3 79 . 1 1 14 14 TRP HZ2 H 1 7.505 0.0 . . . . . . . . . . 6559 3 80 . 1 1 14 14 TRP HZ3 H 1 7.003 0.0 . . . . . . . . . . 6559 3 81 . 1 1 14 14 TRP HH2 H 1 7.056 0.0 . . . . . . . . . . 6559 3 82 . 1 1 14 14 TRP CA C 13 56.865 0.0 . . . . . . . . . . 6559 3 83 . 1 1 14 14 TRP CB C 13 31.309 0.0 . . . . . . . . . . 6559 3 84 . 1 1 14 14 TRP CD1 C 13 128.467 0.0 . . . . . . . . . . 6559 3 85 . 1 1 14 14 TRP CE3 C 13 120.693 0.0 . . . . . . . . . . 6559 3 86 . 1 1 14 14 TRP CZ2 C 13 81.812 0.0 . . . . . . . . . . 6559 3 87 . 1 1 14 14 TRP CZ3 C 13 123.741 0.0 . . . . . . . . . . 6559 3 88 . 1 1 14 14 TRP CH2 C 13 91.616 0.0 . . . . . . . . . . 6559 3 89 . 1 1 15 15 THR HA H 1 4.843 0.0 . . . . . . . . . . 6559 3 90 . 1 1 15 15 THR HB H 1 4.244 0.0 . . . . . . . . . . 6559 3 91 . 1 1 15 15 THR HG21 H 1 1.320 0.0 . . . . . . . . . . 6559 3 92 . 1 1 15 15 THR HG22 H 1 1.320 0.0 . . . . . . . . . . 6559 3 93 . 1 1 15 15 THR HG23 H 1 1.320 0.0 . . . . . . . . . . 6559 3 94 . 1 1 15 15 THR CA C 13 59.836 0.0 . . . . . . . . . . 6559 3 95 . 1 1 15 15 THR CB C 13 72.397 0.0 . . . . . . . . . . 6559 3 96 . 1 1 15 15 THR CG2 C 13 22.439 0.0 . . . . . . . . . . 6559 3 97 . 1 1 16 16 GLU HA H 1 4.595 0.0 . . . . . . . . . . 6559 3 98 . 1 1 16 16 GLU HB2 H 1 1.781 0.0 . . . . . . . . . . 6559 3 99 . 1 1 16 16 GLU HG2 H 1 2.102 0.0 . . . . . . . . . . 6559 3 100 . 1 1 16 16 GLU CA C 13 55.385 0.0 . . . . . . . . . . 6559 3 101 . 1 1 16 16 GLU CB C 13 30.014 0.0 . . . . . . . . . . 6559 3 102 . 1 1 16 16 GLU CG C 13 33.181 0.0 . . . . . . . . . . 6559 3 103 . 1 1 17 17 HIS HA H 1 4.447 0.0 . . . . . . . . . . 6559 3 104 . 1 1 17 17 HIS HB2 H 1 2.656 0.0 . . . . . . . . . . 6559 3 105 . 1 1 17 17 HIS HB3 H 1 1.182 0.0 . . . . . . . . . . 6559 3 106 . 1 1 17 17 HIS HD2 H 1 6.675 0.0 . . . . . . . . . . 6559 3 107 . 1 1 17 17 HIS HE1 H 1 8.623 0.0 . . . . . . . . . . 6559 3 108 . 1 1 17 17 HIS CA C 13 53.946 0.0 . . . . . . . . . . 6559 3 109 . 1 1 17 17 HIS CB C 13 32.350 0.0 . . . . . . . . . . 6559 3 110 . 1 1 17 17 HIS CD2 C 13 119.512 0.0 . . . . . . . . . . 6559 3 111 . 1 1 17 17 HIS CE1 C 13 137.228 0.0 . . . . . . . . . . 6559 3 112 . 1 1 18 18 LYS HA H 1 5.153 0.0 . . . . . . . . . . 6559 3 113 . 1 1 18 18 LYS HB2 H 1 1.693 0.0 . . . . . . . . . . 6559 3 114 . 1 1 18 18 LYS HG2 H 1 1.394 0.0 . . . . . . . . . . 6559 3 115 . 1 1 18 18 LYS HD2 H 1 1.610 0.0 . . . . . . . . . . 6559 3 116 . 1 1 18 18 LYS HE2 H 1 2.927 0.0 . . . . . . . . . . 6559 3 117 . 1 1 18 18 LYS CA C 13 54.833 0.0 . . . . . . . . . . 6559 3 118 . 1 1 18 18 LYS CB C 13 34.975 0.0 . . . . . . . . . . 6559 3 119 . 1 1 18 18 LYS CG C 13 24.856 0.0 . . . . . . . . . . 6559 3 120 . 1 1 18 18 LYS CD C 13 29.244 0.0 . . . . . . . . . . 6559 3 121 . 1 1 18 18 LYS CE C 13 42.155 0.0 . . . . . . . . . . 6559 3 122 . 1 1 19 19 SER HB2 H 1 4.593 0.0 . . . . . . . . . . 6559 3 123 . 1 1 19 19 SER HB3 H 1 4.168 0.0 . . . . . . . . . . 6559 3 124 . 1 1 19 19 SER CB C 13 63.186 0.0 . . . . . . . . . . 6559 3 125 . 1 1 20 20 PRO HA H 1 4.428 0.0 . . . . . . . . . . 6559 3 126 . 1 1 20 20 PRO HB2 H 1 2.438 0.0 . . . . . . . . . . 6559 3 127 . 1 1 20 20 PRO HG2 H 1 2.078 0.0 . . . . . . . . . . 6559 3 128 . 1 1 20 20 PRO HD2 H 1 4.025 0.0 . . . . . . . . . . 6559 3 129 . 1 1 20 20 PRO HD3 H 1 3.930 0.0 . . . . . . . . . . 6559 3 130 . 1 1 20 20 PRO CA C 13 66.096 0.0 . . . . . . . . . . 6559 3 131 . 1 1 20 20 PRO CB C 13 32.023 0.0 . . . . . . . . . . 6559 3 132 . 1 1 20 20 PRO CG C 13 28.073 0.0 . . . . . . . . . . 6559 3 133 . 1 1 20 20 PRO CD C 13 51.240 0.0 . . . . . . . . . . 6559 3 134 . 1 1 21 21 ASP HB2 H 1 3.072 0.0 . . . . . . . . . . 6559 3 135 . 1 1 21 21 ASP HB3 H 1 2.817 0.0 . . . . . . . . . . 6559 3 136 . 1 1 21 21 ASP CB C 13 38.856 0.0 . . . . . . . . . . 6559 3 137 . 1 1 22 22 GLY HA2 H 1 4.332 0.0 . . . . . . . . . . 6559 3 138 . 1 1 22 22 GLY HA3 H 1 3.624 0.0 . . . . . . . . . . 6559 3 139 . 1 1 22 22 GLY CA C 13 45.703 0.0 . . . . . . . . . . 6559 3 140 . 1 1 23 23 ARG HA H 1 4.503 0.0 . . . . . . . . . . 6559 3 141 . 1 1 23 23 ARG HB2 H 1 1.935 0.0 . . . . . . . . . . 6559 3 142 . 1 1 23 23 ARG HB3 H 1 1.850 0.0 . . . . . . . . . . 6559 3 143 . 1 1 23 23 ARG HG2 H 1 1.627 0.0 . . . . . . . . . . 6559 3 144 . 1 1 23 23 ARG HD2 H 1 2.528 0.0 . . . . . . . . . . 6559 3 145 . 1 1 23 23 ARG CA C 13 56.242 0.0 . . . . . . . . . . 6559 3 146 . 1 1 23 23 ARG CB C 13 29.534 0.0 . . . . . . . . . . 6559 3 147 . 1 1 23 23 ARG CG C 13 27.319 0.0 . . . . . . . . . . 6559 3 148 . 1 1 23 23 ARG CD C 13 43.517 0.0 . . . . . . . . . . 6559 3 149 . 1 1 24 24 THR HA H 1 4.934 0.0 . . . . . . . . . . 6559 3 150 . 1 1 24 24 THR HB H 1 4.031 0.0 . . . . . . . . . . 6559 3 151 . 1 1 24 24 THR HG21 H 1 0.913 0.0 . . . . . . . . . . 6559 3 152 . 1 1 24 24 THR HG22 H 1 0.913 0.0 . . . . . . . . . . 6559 3 153 . 1 1 24 24 THR HG23 H 1 0.913 0.0 . . . . . . . . . . 6559 3 154 . 1 1 24 24 THR CA C 13 63.587 0.0 . . . . . . . . . . 6559 3 155 . 1 1 24 24 THR CB C 13 70.266 0.0 . . . . . . . . . . 6559 3 156 . 1 1 24 24 THR CG2 C 13 22.455 0.0 . . . . . . . . . . 6559 3 157 . 1 1 25 25 TYR HA H 1 4.987 0.0 . . . . . . . . . . 6559 3 158 . 1 1 25 25 TYR HB2 H 1 2.699 0.0 . . . . . . . . . . 6559 3 159 . 1 1 25 25 TYR HB3 H 1 2.385 0.0 . . . . . . . . . . 6559 3 160 . 1 1 25 25 TYR HD1 H 1 6.841 0.0 . . . . . . . . . . 6559 3 161 . 1 1 25 25 TYR HE1 H 1 6.245 0.0 . . . . . . . . . . 6559 3 162 . 1 1 25 25 TYR CA C 13 55.558 0.0 . . . . . . . . . . 6559 3 163 . 1 1 25 25 TYR CB C 13 40.415 0.0 . . . . . . . . . . 6559 3 164 . 1 1 25 25 TYR CD1 C 13 133.906 0.0 . . . . . . . . . . 6559 3 165 . 1 1 25 25 TYR CE1 C 13 118.222 0.0 . . . . . . . . . . 6559 3 166 . 1 1 26 26 TYR HA H 1 5.376 0.0 . . . . . . . . . . 6559 3 167 . 1 1 26 26 TYR HB2 H 1 2.889 0.0 . . . . . . . . . . 6559 3 168 . 1 1 26 26 TYR HB3 H 1 2.716 0.0 . . . . . . . . . . 6559 3 169 . 1 1 26 26 TYR HD1 H 1 6.837 0.0 . . . . . . . . . . 6559 3 170 . 1 1 26 26 TYR HE1 H 1 6.688 0.0 . . . . . . . . . . 6559 3 171 . 1 1 26 26 TYR CA C 13 56.773 0.0 . . . . . . . . . . 6559 3 172 . 1 1 26 26 TYR CB C 13 41.438 0.0 . . . . . . . . . . 6559 3 173 . 1 1 26 26 TYR CD1 C 13 133.928 0.0 . . . . . . . . . . 6559 3 174 . 1 1 26 26 TYR CE1 C 13 117.671 0.0 . . . . . . . . . . 6559 3 175 . 1 1 27 27 TYR HA H 1 5.724 0.0 . . . . . . . . . . 6559 3 176 . 1 1 27 27 TYR HB2 H 1 2.694 0.0 . . . . . . . . . . 6559 3 177 . 1 1 27 27 TYR HD1 H 1 6.979 0.0 . . . . . . . . . . 6559 3 178 . 1 1 27 27 TYR HE1 H 1 6.581 0.0 . . . . . . . . . . 6559 3 179 . 1 1 27 27 TYR CA C 13 56.191 0.0 . . . . . . . . . . 6559 3 180 . 1 1 27 27 TYR CB C 13 43.329 0.0 . . . . . . . . . . 6559 3 181 . 1 1 27 27 TYR CD1 C 13 133.642 0.0 . . . . . . . . . . 6559 3 182 . 1 1 27 27 TYR CE1 C 13 117.888 0.0 . . . . . . . . . . 6559 3 183 . 1 1 28 28 ASN HA H 1 4.442 0.0 . . . . . . . . . . 6559 3 184 . 1 1 28 28 ASN HB2 H 1 2.300 0.0 . . . . . . . . . . 6559 3 185 . 1 1 28 28 ASN HB3 H 1 0.035 0.0 . . . . . . . . . . 6559 3 186 . 1 1 28 28 ASN CA C 13 51.575 0.0 . . . . . . . . . . 6559 3 187 . 1 1 28 28 ASN CB C 13 38.310 0.0 . . . . . . . . . . 6559 3 188 . 1 1 29 29 THR HA H 1 3.670 0.0 . . . . . . . . . . 6559 3 189 . 1 1 29 29 THR HB H 1 4.275 0.0 . . . . . . . . . . 6559 3 190 . 1 1 29 29 THR HG21 H 1 1.383 0.0 . . . . . . . . . . 6559 3 191 . 1 1 29 29 THR HG22 H 1 1.383 0.0 . . . . . . . . . . 6559 3 192 . 1 1 29 29 THR HG23 H 1 1.383 0.0 . . . . . . . . . . 6559 3 193 . 1 1 29 29 THR CA C 13 64.379 0.0 . . . . . . . . . . 6559 3 194 . 1 1 29 29 THR CB C 13 69.058 0.0 . . . . . . . . . . 6559 3 195 . 1 1 29 29 THR CG2 C 13 22.435 0.0 . . . . . . . . . . 6559 3 196 . 1 1 30 30 GLU HA H 1 4.293 0.0 . . . . . . . . . . 6559 3 197 . 1 1 30 30 GLU HB2 H 1 2.070 0.0 . . . . . . . . . . 6559 3 198 . 1 1 30 30 GLU HG2 H 1 2.301 0.0 . . . . . . . . . . 6559 3 199 . 1 1 30 30 GLU CA C 13 57.851 0.0 . . . . . . . . . . 6559 3 200 . 1 1 30 30 GLU CB C 13 28.945 0.0 . . . . . . . . . . 6559 3 201 . 1 1 30 30 GLU CG C 13 33.302 0.0 . . . . . . . . . . 6559 3 202 . 1 1 31 31 THR HA H 1 4.088 0.0 . . . . . . . . . . 6559 3 203 . 1 1 31 31 THR HB H 1 4.249 0.0 . . . . . . . . . . 6559 3 204 . 1 1 31 31 THR HG21 H 1 0.942 0.0 . . . . . . . . . . 6559 3 205 . 1 1 31 31 THR HG22 H 1 0.942 0.0 . . . . . . . . . . 6559 3 206 . 1 1 31 31 THR HG23 H 1 0.942 0.0 . . . . . . . . . . 6559 3 207 . 1 1 31 31 THR CA C 13 61.838 0.0 . . . . . . . . . . 6559 3 208 . 1 1 31 31 THR CB C 13 70.238 0.0 . . . . . . . . . . 6559 3 209 . 1 1 31 31 THR CG2 C 13 21.176 0.0 . . . . . . . . . . 6559 3 210 . 1 1 32 32 LYS HA H 1 3.630 0.0 . . . . . . . . . . 6559 3 211 . 1 1 32 32 LYS HB2 H 1 2.101 0.0 . . . . . . . . . . 6559 3 212 . 1 1 32 32 LYS HB3 H 1 2.050 0.0 . . . . . . . . . . 6559 3 213 . 1 1 32 32 LYS HG2 H 1 1.192 0.0 . . . . . . . . . . 6559 3 214 . 1 1 32 32 LYS HD2 H 1 1.610 0.0 . . . . . . . . . . 6559 3 215 . 1 1 32 32 LYS HE2 H 1 2.966 0.0 . . . . . . . . . . 6559 3 216 . 1 1 32 32 LYS CA C 13 57.506 0.0 . . . . . . . . . . 6559 3 217 . 1 1 32 32 LYS CB C 13 28.632 0.0 . . . . . . . . . . 6559 3 218 . 1 1 32 32 LYS CG C 13 25.261 0.0 . . . . . . . . . . 6559 3 219 . 1 1 32 32 LYS CD C 13 29.123 0.0 . . . . . . . . . . 6559 3 220 . 1 1 32 32 LYS CE C 13 42.324 0.0 . . . . . . . . . . 6559 3 221 . 1 1 33 33 GLN HA H 1 4.450 0.0 . . . . . . . . . . 6559 3 222 . 1 1 33 33 GLN HB2 H 1 2.030 0.0 . . . . . . . . . . 6559 3 223 . 1 1 33 33 GLN HB3 H 1 1.730 0.0 . . . . . . . . . . 6559 3 224 . 1 1 33 33 GLN HG2 H 1 2.292 0.0 . . . . . . . . . . 6559 3 225 . 1 1 33 33 GLN CA C 13 55.000 0.0 . . . . . . . . . . 6559 3 226 . 1 1 33 33 GLN CB C 13 31.566 0.0 . . . . . . . . . . 6559 3 227 . 1 1 33 33 GLN CG C 13 33.690 0.0 . . . . . . . . . . 6559 3 228 . 1 1 34 34 SER HA H 1 6.105 0.0 . . . . . . . . . . 6559 3 229 . 1 1 34 34 SER HB2 H 1 3.652 0.0 . . . . . . . . . . 6559 3 230 . 1 1 34 34 SER HB3 H 1 3.578 0.0 . . . . . . . . . . 6559 3 231 . 1 1 34 34 SER CA C 13 56.796 0.0 . . . . . . . . . . 6559 3 232 . 1 1 34 34 SER CB C 13 66.351 0.0 . . . . . . . . . . 6559 3 233 . 1 1 35 35 THR HB H 1 4.216 0.0 . . . . . . . . . . 6559 3 234 . 1 1 35 35 THR HG21 H 1 1.194 0.0 . . . . . . . . . . 6559 3 235 . 1 1 35 35 THR HG22 H 1 1.194 0.0 . . . . . . . . . . 6559 3 236 . 1 1 35 35 THR HG23 H 1 1.194 0.0 . . . . . . . . . . 6559 3 237 . 1 1 35 35 THR CB C 13 69.862 0.0 . . . . . . . . . . 6559 3 238 . 1 1 35 35 THR CG2 C 13 20.559 0.0 . . . . . . . . . . 6559 3 239 . 1 1 36 36 TRP HA H 1 5.143 0.0 . . . . . . . . . . 6559 3 240 . 1 1 36 36 TRP HB2 H 1 3.671 0.0 . . . . . . . . . . 6559 3 241 . 1 1 36 36 TRP HB3 H 1 3.173 0.0 . . . . . . . . . . 6559 3 242 . 1 1 36 36 TRP HD1 H 1 7.361 0.0 . . . . . . . . . . 6559 3 243 . 1 1 36 36 TRP HE3 H 1 8.134 0.0 . . . . . . . . . . 6559 3 244 . 1 1 36 36 TRP HZ2 H 1 7.347 0.0 . . . . . . . . . . 6559 3 245 . 1 1 36 36 TRP HZ3 H 1 6.897 0.0 . . . . . . . . . . 6559 3 246 . 1 1 36 36 TRP HH2 H 1 7.077 0.0 . . . . . . . . . . 6559 3 247 . 1 1 36 36 TRP CA C 13 58.162 0.0 . . . . . . . . . . 6559 3 248 . 1 1 36 36 TRP CB C 13 31.024 0.0 . . . . . . . . . . 6559 3 249 . 1 1 36 36 TRP CD1 C 13 128.289 0.0 . . . . . . . . . . 6559 3 250 . 1 1 36 36 TRP CE3 C 13 121.995 0.0 . . . . . . . . . . 6559 3 251 . 1 1 36 36 TRP CZ2 C 13 114.894 0.0 . . . . . . . . . . 6559 3 252 . 1 1 36 36 TRP CZ3 C 13 122.596 0.0 . . . . . . . . . . 6559 3 253 . 1 1 36 36 TRP CH2 C 13 124.559 0.0 . . . . . . . . . . 6559 3 254 . 1 1 37 37 GLU HA H 1 4.447 0.0 . . . . . . . . . . 6559 3 255 . 1 1 37 37 GLU HB2 H 1 1.855 0.0 . . . . . . . . . . 6559 3 256 . 1 1 37 37 GLU HG2 H 1 2.382 0.0 . . . . . . . . . . 6559 3 257 . 1 1 37 37 GLU CA C 13 54.517 0.0 . . . . . . . . . . 6559 3 258 . 1 1 37 37 GLU CB C 13 29.420 0.0 . . . . . . . . . . 6559 3 259 . 1 1 37 37 GLU CG C 13 33.071 0.0 . . . . . . . . . . 6559 3 260 . 1 1 38 38 LYS HA H 1 2.914 0.0 . . . . . . . . . . 6559 3 261 . 1 1 38 38 LYS HB2 H 1 1.356 0.0 . . . . . . . . . . 6559 3 262 . 1 1 38 38 LYS HB3 H 1 1.271 0.0 . . . . . . . . . . 6559 3 263 . 1 1 38 38 LYS HG2 H 1 1.019 0.0 . . . . . . . . . . 6559 3 264 . 1 1 38 38 LYS HG3 H 1 0.822 0.0 . . . . . . . . . . 6559 3 265 . 1 1 38 38 LYS CA C 13 54.600 0.0 . . . . . . . . . . 6559 3 266 . 1 1 38 38 LYS CB C 13 32.454 0.0 . . . . . . . . . . 6559 3 267 . 1 1 38 38 LYS CG C 13 24.062 0.0 . . . . . . . . . . 6559 3 268 . 1 1 39 39 PRO HA H 1 3.930 0.0 . . . . . . . . . . 6559 3 269 . 1 1 39 39 PRO HB2 H 1 1.171 0.0 . . . . . . . . . . 6559 3 270 . 1 1 39 39 PRO HG2 H 1 0.777 0.0 . . . . . . . . . . 6559 3 271 . 1 1 39 39 PRO HG3 H 1 0.385 0.0 . . . . . . . . . . 6559 3 272 . 1 1 39 39 PRO HD2 H 1 2.511 0.0 . . . . . . . . . . 6559 3 273 . 1 1 39 39 PRO HD3 H 1 2.338 0.0 . . . . . . . . . . 6559 3 274 . 1 1 39 39 PRO CA C 13 62.608 0.0 . . . . . . . . . . 6559 3 275 . 1 1 39 39 PRO CB C 13 31.879 0.0 . . . . . . . . . . 6559 3 276 . 1 1 39 39 PRO CG C 13 26.108 0.0 . . . . . . . . . . 6559 3 277 . 1 1 39 39 PRO CD C 13 50.469 0.0 . . . . . . . . . . 6559 3 278 . 1 1 40 40 ASP HA H 1 4.570 0.0 . . . . . . . . . . 6559 3 279 . 1 1 40 40 ASP HB2 H 1 2.815 0.0 . . . . . . . . . . 6559 3 280 . 1 1 40 40 ASP HB3 H 1 2.746 0.0 . . . . . . . . . . 6559 3 281 . 1 1 40 40 ASP CA C 13 52.986 0.0 . . . . . . . . . . 6559 3 282 . 1 1 40 40 ASP CB C 13 38.401 0.0 . . . . . . . . . . 6559 3 stop_ save_ save_chemical_shift_set_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_4 _Assigned_chem_shift_list.Entry_ID 6559 _Assigned_chem_shift_list.ID 4 _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 $sample_1 . 6559 4 . . 2 $sample_2 . 6559 4 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 . 2 2 1 1 ALA HA H 1 4.545 0.0 . . . . . . . . . . 6559 4 2 . 2 2 1 1 ALA HB1 H 1 1.300 0.0 . . . . . . . . . . 6559 4 3 . 2 2 1 1 ALA HB2 H 1 1.300 0.0 . . . . . . . . . . 6559 4 4 . 2 2 1 1 ALA HB3 H 1 1.300 0.0 . . . . . . . . . . 6559 4 5 . 2 2 2 2 PRO HA H 1 4.678 0.0 . . . . . . . . . . 6559 4 6 . 2 2 2 2 PRO HB2 H 1 2.286 0.0 . . . . . . . . . . 6559 4 7 . 2 2 2 2 PRO HB3 H 1 1.990 0.0 . . . . . . . . . . 6559 4 8 . 2 2 2 2 PRO HG2 H 1 1.880 0.0 . . . . . . . . . . 6559 4 9 . 2 2 2 2 PRO HD2 H 1 3.793 0.0 . . . . . . . . . . 6559 4 10 . 2 2 2 2 PRO HD3 H 1 3.580 0.0 . . . . . . . . . . 6559 4 11 . 2 2 3 3 PRO HA H 1 4.427 0.0 . . . . . . . . . . 6559 4 12 . 2 2 3 3 PRO HB2 H 1 2.222 0.0 . . . . . . . . . . 6559 4 13 . 2 2 3 3 PRO HB3 H 1 1.962 0.0 . . . . . . . . . . 6559 4 14 . 2 2 3 3 PRO HG2 H 1 1.849 0.0 . . . . . . . . . . 6559 4 15 . 2 2 3 3 PRO HD2 H 1 3.757 0.0 . . . . . . . . . . 6559 4 16 . 2 2 3 3 PRO HD3 H 1 3.589 0.0 . . . . . . . . . . 6559 4 17 . 2 2 4 4 THR HA H 1 4.502 0.0 . . . . . . . . . . 6559 4 18 . 2 2 4 4 THR HB H 1 4.038 0.0 . . . . . . . . . . 6559 4 19 . 2 2 4 4 THR HG21 H 1 1.209 0.0 . . . . . . . . . . 6559 4 20 . 2 2 4 4 THR HG22 H 1 1.209 0.0 . . . . . . . . . . 6559 4 21 . 2 2 4 4 THR HG23 H 1 1.209 0.0 . . . . . . . . . . 6559 4 22 . 2 2 5 5 PRO HA H 1 4.608 0.0 . . . . . . . . . . 6559 4 23 . 2 2 5 5 PRO HB2 H 1 2.292 0.0 . . . . . . . . . . 6559 4 24 . 2 2 5 5 PRO HG2 H 1 1.914 0.0 . . . . . . . . . . 6559 4 25 . 2 2 5 5 PRO HD2 H 1 3.816 0.0 . . . . . . . . . . 6559 4 26 . 2 2 6 6 PRO HA H 1 4.631 0.0 . . . . . . . . . . 6559 4 27 . 2 2 6 6 PRO HB2 H 1 2.121 0.0 . . . . . . . . . . 6559 4 28 . 2 2 6 6 PRO HB3 H 1 1.883 0.0 . . . . . . . . . . 6559 4 29 . 2 2 6 6 PRO HG2 H 1 1.814 0.0 . . . . . . . . . . 6559 4 30 . 2 2 6 6 PRO HD2 H 1 3.713 0.0 . . . . . . . . . . 6559 4 31 . 2 2 6 6 PRO HD3 H 1 3.490 0.0 . . . . . . . . . . 6559 4 32 . 2 2 7 7 PRO HA H 1 4.386 0.0 . . . . . . . . . . 6559 4 33 . 2 2 7 7 PRO HB2 H 1 2.213 0.0 . . . . . . . . . . 6559 4 34 . 2 2 7 7 PRO HB3 H 1 1.957 0.0 . . . . . . . . . . 6559 4 35 . 2 2 7 7 PRO HG2 H 1 1.847 0.0 . . . . . . . . . . 6559 4 36 . 2 2 7 7 PRO HD2 H 1 3.727 0.0 . . . . . . . . . . 6559 4 37 . 2 2 7 7 PRO HD3 H 1 3.540 0.0 . . . . . . . . . . 6559 4 38 . 2 2 8 8 LEU H H 1 8.177 0.0 . . . . . . . . . . 6559 4 39 . 2 2 8 8 LEU HA H 1 4.470 0.0 . . . . . . . . . . 6559 4 40 . 2 2 8 8 LEU HB2 H 1 1.674 0.0 . . . . . . . . . . 6559 4 41 . 2 2 8 8 LEU HB3 H 1 1.524 0.0 . . . . . . . . . . 6559 4 42 . 2 2 8 8 LEU HG H 1 1.494 0.0 . . . . . . . . . . 6559 4 43 . 2 2 8 8 LEU HD11 H 1 0.923 0.0 . . . . . . . . . . 6559 4 44 . 2 2 8 8 LEU HD12 H 1 0.923 0.0 . . . . . . . . . . 6559 4 45 . 2 2 8 8 LEU HD13 H 1 0.923 0.0 . . . . . . . . . . 6559 4 46 . 2 2 8 8 LEU HD21 H 1 0.871 0.0 . . . . . . . . . . 6559 4 47 . 2 2 8 8 LEU HD22 H 1 0.871 0.0 . . . . . . . . . . 6559 4 48 . 2 2 8 8 LEU HD23 H 1 0.871 0.0 . . . . . . . . . . 6559 4 49 . 2 2 9 9 PRO HA H 1 4.630 0.0 . . . . . . . . . . 6559 4 50 . 2 2 9 9 PRO HB2 H 1 2.115 0.0 . . . . . . . . . . 6559 4 51 . 2 2 9 9 PRO HB3 H 1 1.886 0.0 . . . . . . . . . . 6559 4 52 . 2 2 9 9 PRO HG2 H 1 1.832 0.0 . . . . . . . . . . 6559 4 53 . 2 2 9 9 PRO HD2 H 1 3.713 0.0 . . . . . . . . . . 6559 4 54 . 2 2 9 9 PRO HD3 H 1 3.474 0.0 . . . . . . . . . . 6559 4 55 . 2 2 10 10 PRO HA H 1 4.367 0.0 . . . . . . . . . . 6559 4 56 . 2 2 10 10 PRO HB2 H 1 2.267 0.0 . . . . . . . . . . 6559 4 57 . 2 2 10 10 PRO HB3 H 1 2.002 0.0 . . . . . . . . . . 6559 4 58 . 2 2 10 10 PRO HG2 H 1 1.913 0.0 . . . . . . . . . . 6559 4 59 . 2 2 10 10 PRO HD2 H 1 3.787 0.0 . . . . . . . . . . 6559 4 60 . 2 2 10 10 PRO HD3 H 1 3.620 0.0 . . . . . . . . . . 6559 4 stop_ save_