data_4741 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4741 _Entry.Title ; Structure and folding of Glucagon-like Peptide 1-7-(7-36)-amide in aqueous trifluoroethanol studied by NMR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-05-22 _Entry.Accession_date 2000-05-23 _Entry.Last_release_date 2002-04-08 _Entry.Original_release_date 2002-04-08 _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 Xiaoqing Chang . . . 4741 2 D. Keller . . . 4741 3 s. Bjorn . . . 4741 4 Jens Led . J. . 4741 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 9 4741 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1512 4741 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 . . 2002-04-08 2000-05-22 original author . 4741 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4741 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structure and folding of Glucagon-like Peptide 1-7-(7-36)-amide in aqueous trifluoroethanol studied by NMR' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Magn. Reson. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 39 _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 477 _Citation.Page_last 483 _Citation.Year 2001 _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 Xiaoqing Chang . . . 4741 1 2 D Keller . . . 4741 1 3 S. Bjorn . . . 4741 1 4 Jens Led . J. . 4741 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Coiled coil' 4741 1 Folding 4741 1 GLP-1 4741 1 'NMR Solution Structure' 4741 1 Self-diffusion 4741 1 TFE 4741 1 stop_ save_ save_re_1 _Citation.Sf_category citations _Citation.Sf_framecode re_1 _Citation.Entry_ID 4741 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11943215 _Citation.Full_citation ; Xiaoqing Chang, Danielle Keller, Se?n I.O'Donoghue and Jens J. Led. "NMR studies of the aggregation of glucagon-like peptide-1: formation of a symmetric helical dimer." FEBS Letters 515, 165-170 (2002). ; _Citation.Title 'NMR studies of the aggregation of glucagon-like peptide-1: formation of a symmetric helical dimer.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS letters' _Citation.Journal_volume 515 _Citation.Journal_issue 1-3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0014-5793 _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 165 _Citation.Page_last 170 _Citation.Year 2002 _Citation.Details ; Nuclear magnetic resonance (NMR) spectroscopy reveals that higher-order aggregates of glucagon-like peptide-1-(7-36)-amide (GLP-1) in pure water at pH 2.5 are disrupted by 35% 2,2,2-trifluoroethanol (TFE), and form a stable and highly symmetric helical self-aggregate. NMR spectra show that the helical structure is identical to that formed by monomeric GLP-1 under the same experimental conditions [Chang et al., Magn. Reson. Chem. 37 (2001) 477-483; Protein Data Bank at RCSB code: 1D0R], while amide proton exchange rates reveal a dramatic increase of the stability of the helices of the self-aggregate. Pulsed-field gradient NMR diffusion experiments show that the TFE-induced helical self-aggregate is a dimer. The experimental data and model calculations indicate that the dimer is a parallel coiled coil, with a few hydrophobic residues on the surface that may cause aggregation in pure water. The results suggest that the coiled coil dimer is an intermediate state towards the formation of higher aggregates, e.g. fibrils. ; 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 Xiaoqing Chang X. . . 4741 2 2 Danielle Keller D. . . 4741 2 3 'Sean I' O'Donoghue S. I. . 4741 2 4 'Jens J' Led J. J. . 4741 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_GLP-1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_GLP-1 _Assembly.Entry_ID 4741 _Assembly.ID 1 _Assembly.Name 'Glucogen-like Peptide-1(7-36)-amide' _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 4741 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 GLP-1 1 $GLP-1 . . . native . . . . . 4741 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Glucogen-like Peptide-1(7-36)-amide' system 4741 1 GLP-1 abbreviation 4741 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GLP-1 _Entity.Sf_category entity _Entity.Sf_framecode GLP-1 _Entity.Entry_ID 4741 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Glucogen-like peptide-1-(7-36)-amide' _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 ; HAEGTFTSDVSSYLEGQAAK EFIAWLVKGR ; _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 30 _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 3300 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1D0R . "Solution Structure Of Glucagon-Like Peptide-1-(7-36)-Amide In TrifluoroethanolWATER" . . . . . 100.00 30 100.00 100.00 9.02e-12 . . . . 4741 1 2 no PDB 3IOL . "Crystal Structure Of Glucagon-Like Peptide-1 In Complex With The Extracellular Domain Of The Glucagon-Like Peptide-1 Receptor" . . . . . 100.00 31 100.00 100.00 9.91e-12 . . . . 4741 1 3 no DBJ BAA00010 . "preproglucagon [Cavia porcellus]" . . . . . 100.00 180 100.00 100.00 2.20e-11 . . . . 4741 1 4 no DBJ BAM48567 . "preproglucagon, partial [Canis lupus familiaris]" . . . . . 86.67 26 100.00 100.00 2.34e-08 . . . . 4741 1 5 no GB AAA30538 . "preproglucagon [Bos taurus]" . . . . . 100.00 180 100.00 100.00 2.16e-11 . . . . 4741 1 6 no GB AAA37074 . "preproglucagon [Mesocricetus auratus]" . . . . . 100.00 180 100.00 100.00 2.63e-11 . . . . 4741 1 7 no GB AAA40588 . "glucagon [Octodon degus]" . . . . . 100.00 180 100.00 100.00 2.50e-11 . . . . 4741 1 8 no GB AAA41235 . "pre-proglucagon [Rattus norvegicus]" . . . . . 100.00 180 100.00 100.00 2.34e-11 . . . . 4741 1 9 no GB AAI02222 . "Glucagon [Bos taurus]" . . . . . 100.00 180 100.00 100.00 2.16e-11 . . . . 4741 1 10 no PIR GCPG . "glucagon precursor - pig (fragment) [Sus scrofa domesticus]" . . . . . 100.00 158 100.00 100.00 7.43e-11 . . . . 4741 1 11 no PRF 0905236A . glucagon,prepro- . . . . . 100.00 180 100.00 100.00 3.21e-11 . . . . 4741 1 12 no REF NP_001003044 . "glucagon precursor [Canis lupus familiaris]" . . . . . 100.00 180 100.00 100.00 2.11e-11 . . . . 4741 1 13 no REF NP_001166423 . "glucagon precursor [Cavia porcellus]" . . . . . 100.00 180 100.00 100.00 2.20e-11 . . . . 4741 1 14 no REF NP_036839 . "glucagon preproprotein [Rattus norvegicus]" . . . . . 100.00 180 100.00 100.00 2.36e-11 . . . . 4741 1 15 no REF NP_776341 . "glucagon precursor [Bos taurus]" . . . . . 100.00 180 100.00 100.00 2.16e-11 . . . . 4741 1 16 no REF NP_999489 . "glucagon precursor [Sus scrofa]" . . . . . 100.00 180 100.00 100.00 8.94e-11 . . . . 4741 1 17 no SP P01272 . "RecName: Full=Glucagon; Contains: RecName: Full=Glicentin; Contains: RecName: Full=Glicentin-related polypeptide; Short=GRPP; C" . . . . . 100.00 180 100.00 100.00 2.16e-11 . . . . 4741 1 18 no SP P01273 . "RecName: Full=Glucagon; Contains: RecName: Full=Glicentin; Contains: RecName: Full=Glicentin-related polypeptide; Short=GRPP; C" . . . . . 100.00 180 100.00 100.00 2.63e-11 . . . . 4741 1 19 no SP P01274 . "RecName: Full=Glucagon; Contains: RecName: Full=Glicentin; Contains: RecName: Full=Glicentin-related polypeptide; Short=GRPP; C" . . . . . 100.00 180 100.00 100.00 8.94e-11 . . . . 4741 1 20 no SP P05110 . "RecName: Full=Glucagon; Contains: RecName: Full=Glicentin; Contains: RecName: Full=Glicentin-related polypeptide; Short=GRPP; C" . . . . . 100.00 180 100.00 100.00 2.20e-11 . . . . 4741 1 21 no SP P06883 . "RecName: Full=Glucagon; Contains: RecName: Full=Glicentin; Contains: RecName: Full=Glicentin-related polypeptide; Short=GRPP; C" . . . . . 100.00 180 100.00 100.00 2.34e-11 . . . . 4741 1 22 no TPG DAA32664 . "TPA: glucagon [Bos taurus]" . . . . . 100.00 180 100.00 100.00 2.16e-11 . . . . 4741 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Glucogen-like peptide-1-(7-36)-amide' common 4741 1 GLP-1 abbreviation 4741 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 . HIS . 4741 1 2 . ALA . 4741 1 3 . GLU . 4741 1 4 . GLY . 4741 1 5 . THR . 4741 1 6 . PHE . 4741 1 7 . THR . 4741 1 8 . SER . 4741 1 9 . ASP . 4741 1 10 . VAL . 4741 1 11 . SER . 4741 1 12 . SER . 4741 1 13 . TYR . 4741 1 14 . LEU . 4741 1 15 . GLU . 4741 1 16 . GLY . 4741 1 17 . GLN . 4741 1 18 . ALA . 4741 1 19 . ALA . 4741 1 20 . LYS . 4741 1 21 . GLU . 4741 1 22 . PHE . 4741 1 23 . ILE . 4741 1 24 . ALA . 4741 1 25 . TRP . 4741 1 26 . LEU . 4741 1 27 . VAL . 4741 1 28 . LYS . 4741 1 29 . GLY . 4741 1 30 . ARG . 4741 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 . HIS 1 1 4741 1 . ALA 2 2 4741 1 . GLU 3 3 4741 1 . GLY 4 4 4741 1 . THR 5 5 4741 1 . PHE 6 6 4741 1 . THR 7 7 4741 1 . SER 8 8 4741 1 . ASP 9 9 4741 1 . VAL 10 10 4741 1 . SER 11 11 4741 1 . SER 12 12 4741 1 . TYR 13 13 4741 1 . LEU 14 14 4741 1 . GLU 15 15 4741 1 . GLY 16 16 4741 1 . GLN 17 17 4741 1 . ALA 18 18 4741 1 . ALA 19 19 4741 1 . LYS 20 20 4741 1 . GLU 21 21 4741 1 . PHE 22 22 4741 1 . ILE 23 23 4741 1 . ALA 24 24 4741 1 . TRP 25 25 4741 1 . LEU 26 26 4741 1 . VAL 27 27 4741 1 . LYS 28 28 4741 1 . GLY 29 29 4741 1 . ARG 30 30 4741 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 4741 _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 $GLP-1 . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4741 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 4741 _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 $GLP-1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4741 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4741 _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 'Glucogen-like peptide-1-(7-36)-amide' . . . 1 $GLP-1 . . 1.4 . . mM . . . . 4741 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4741 _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 'Glucogen-like peptide-1-(7-36)-amide' . . . 1 $GLP-1 . . 1.4 . . mM . . . . 4741 2 2 2,2,2-trifluoroethanol-d3 . . . . . . . 4.62 . . % . . . . 4741 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4741 _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 'Glucogen-like peptide-1-(7-36)-amide' . . . 1 $GLP-1 . . 1.4 . . mM . . . . 4741 3 2 2,2,2-trifluoroethanol-d3 . . . . . . . 8.82 . . % . . . . 4741 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 4741 _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 'Glucogen-like peptide-1-(7-36)-amide' . . . 1 $GLP-1 . . 1.4 . . mM . . . . 4741 4 2 2,2,2-trifluoroethanol-d3 . . . . . . . 13.89 . . % . . . . 4741 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 4741 _Sample.ID 5 _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 'Glucogen-like peptide-1-(7-36)-amide' . . . 1 $GLP-1 . . 1.4 . . mM . . . . 4741 5 2 2,2,2-trifluoroethanol-d3 . . . . . . . 19.48 . . % . . . . 4741 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 4741 _Sample.ID 6 _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 'Glucogen-like peptide-1-(7-36)-amide' . . . 1 $GLP-1 . . 1.4 . . mM . . . . 4741 6 2 2,2,2-trifluoroethanol-d3 . . . . . . . 24.39 . . % . . . . 4741 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 4741 _Sample.ID 7 _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 'Glucogen-like peptide-1-(7-36)-amide' . . . 1 $GLP-1 . . 1.4 . . mM . . . . 4741 7 2 2,2,2-trifluoroethanol-d3 . . . . . . . 29.55 . . % . . . . 4741 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 4741 _Sample.ID 8 _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 'Glucogen-like peptide-1-(7-36)-amide' . . . 1 $GLP-1 . . 1.4 . . mM . . . . 4741 8 2 2,2,2-trifluoroethanol-d3 . . . . . . . 34.74 . . % . . . . 4741 8 stop_ save_ save_sample_9 _Sample.Sf_category sample _Sample.Sf_framecode sample_9 _Sample.Entry_ID 4741 _Sample.ID 9 _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 'Glucogen-like peptide-1-(7-36)-amide' . . . 1 $GLP-1 . . 1.4 . . mM . . . . 4741 9 2 2,2,2-trifluoroethanol-d3 . . . . . . . 50 . . % . . . . 4741 9 stop_ save_ ####################### # Sample conditions # ####################### save_cond-1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond-1 _Sample_condition_list.Entry_ID 4741 _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* 2.50 0.02 n/a 4741 1 temperature 300 0.1 K 4741 1 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 4741 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Inova Plus' _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 4741 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Inova Plus' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 4741 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AM _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4741 _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 'Inova Plus' . 500 . . . 4741 1 2 NMR_spectrometer_2 Varian 'Inova Plus' . 750 . . . 4741 1 3 NMR_spectrometer_3 Bruker AM . 500 . . . 4741 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 4741 _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 'PFG self-diffusion experiment with water-sLED pulse' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4741 1 2 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4741 1 3 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4741 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 4741 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 'PFG self-diffusion experiment with water-sLED pulse' _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 4741 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 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 4741 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 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 4741 _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 . . . . . . . . . . 4741 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_assignment_sample1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_sample1 _Assigned_chem_shift_list.Entry_ID 4741 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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 . 4741 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 HIS HA H 1 4.42 0.1 . 1 . . . . . . . . 4741 1 2 . 1 1 1 1 HIS HD1 H 1 8.67 0.1 . 1 . . . . . . . . 4741 1 3 . 1 1 1 1 HIS HE1 H 1 7.42 0.1 . 2 . . . . . . . . 4741 1 4 . 1 1 2 2 ALA H H 1 8.81 0.1 . 1 . . . . . . . . 4741 1 5 . 1 1 2 2 ALA HA H 1 4.41 0.1 . 1 . . . . . . . . 4741 1 6 . 1 1 2 2 ALA HB1 H 1 1.40 0.1 . 1 . . . . . . . . 4741 1 7 . 1 1 2 2 ALA HB2 H 1 1.40 0.1 . 1 . . . . . . . . 4741 1 8 . 1 1 2 2 ALA HB3 H 1 1.40 0.1 . 1 . . . . . . . . 4741 1 9 . 1 1 3 3 GLU H H 1 8.64 0.1 . 1 . . . . . . . . 4741 1 10 . 1 1 3 3 GLU HA H 1 4.44 0.1 . 1 . . . . . . . . 4741 1 11 . 1 1 3 3 GLU HB2 H 1 2.00 0.1 . 2 . . . . . . . . 4741 1 12 . 1 1 3 3 GLU HB3 H 1 2.14 0.1 . 2 . . . . . . . . 4741 1 13 . 1 1 3 3 GLU HG2 H 1 2.51 0.1 . 2 . . . . . . . . 4741 1 14 . 1 1 4 4 GLY H H 1 8.45 0.1 . 1 . . . . . . . . 4741 1 15 . 1 1 4 4 GLY HA2 H 1 3.97 0.1 . 2 . . . . . . . . 4741 1 16 . 1 1 5 5 THR H H 1 7.98 0.1 . 1 . . . . . . . . 4741 1 17 . 1 1 5 5 THR HA H 1 4.30 0.1 . 1 . . . . . . . . 4741 1 18 . 1 1 5 5 THR HB H 1 4.11 0.1 . 1 . . . . . . . . 4741 1 19 . 1 1 5 5 THR HG21 H 1 1.11 0.1 . 1 . . . . . . . . 4741 1 20 . 1 1 5 5 THR HG22 H 1 1.11 0.1 . 1 . . . . . . . . 4741 1 21 . 1 1 5 5 THR HG23 H 1 1.11 0.1 . 1 . . . . . . . . 4741 1 22 . 1 1 6 6 PHE H H 1 8.34 0.1 . 1 . . . . . . . . 4741 1 23 . 1 1 6 6 PHE HA H 1 4.70 0.1 . 1 . . . . . . . . 4741 1 24 . 1 1 6 6 PHE HB2 H 1 3.01 0.1 . 2 . . . . . . . . 4741 1 25 . 1 1 6 6 PHE HB3 H 1 3.14 0.1 . 2 . . . . . . . . 4741 1 26 . 1 1 6 6 PHE HD1 H 1 7.21 0.1 . 3 . . . . . . . . 4741 1 27 . 1 1 6 6 PHE HE1 H 1 7.33 0.1 . 3 . . . . . . . . 4741 1 28 . 1 1 6 6 PHE HZ H 1 7.29 0.1 . 1 . . . . . . . . 4741 1 29 . 1 1 7 7 THR H H 1 8.05 0.1 . 1 . . . . . . . . 4741 1 30 . 1 1 7 7 THR HA H 1 4.31 0.1 . 1 . . . . . . . . 4741 1 31 . 1 1 7 7 THR HB H 1 4.16 0.1 . 1 . . . . . . . . 4741 1 32 . 1 1 7 7 THR HG21 H 1 1.15 0.1 . 1 . . . . . . . . 4741 1 33 . 1 1 7 7 THR HG22 H 1 1.15 0.1 . 1 . . . . . . . . 4741 1 34 . 1 1 7 7 THR HG23 H 1 1.15 0.1 . 1 . . . . . . . . 4741 1 35 . 1 1 8 8 SER H H 1 8.22 0.1 . 1 . . . . . . . . 4741 1 36 . 1 1 8 8 SER HA H 1 4.42 0.1 . 1 . . . . . . . . 4741 1 37 . 1 1 8 8 SER HB2 H 1 3.83 0.1 . 2 . . . . . . . . 4741 1 38 . 1 1 8 8 SER HB3 H 1 3.88 0.1 . 2 . . . . . . . . 4741 1 39 . 1 1 9 9 ASP H H 1 8.48 0.1 . 1 . . . . . . . . 4741 1 40 . 1 1 9 9 ASP HA H 1 4.75 0.1 . 1 . . . . . . . . 4741 1 41 . 1 1 9 9 ASP HB2 H 1 2.83 0.1 . 2 . . . . . . . . 4741 1 42 . 1 1 9 9 ASP HB3 H 1 2.91 0.1 . 2 . . . . . . . . 4741 1 43 . 1 1 10 10 VAL H H 1 8.04 0.1 . 1 . . . . . . . . 4741 1 44 . 1 1 10 10 VAL HA H 1 4.12 0.1 . 1 . . . . . . . . 4741 1 45 . 1 1 10 10 VAL HB H 1 2.10 0.1 . 1 . . . . . . . . 4741 1 46 . 1 1 10 10 VAL HG11 H 1 0.92 0.1 . 2 . . . . . . . . 4741 1 47 . 1 1 10 10 VAL HG12 H 1 0.92 0.1 . 2 . . . . . . . . 4741 1 48 . 1 1 10 10 VAL HG13 H 1 0.92 0.1 . 2 . . . . . . . . 4741 1 49 . 1 1 11 11 SER H H 1 8.29 0.1 . 1 . . . . . . . . 4741 1 50 . 1 1 11 11 SER HA H 1 4.40 0.1 . 1 . . . . . . . . 4741 1 51 . 1 1 11 11 SER HB2 H 1 3.86 0.1 . 2 . . . . . . . . 4741 1 52 . 1 1 12 12 SER H H 1 8.21 0.1 . 1 . . . . . . . . 4741 1 53 . 1 1 12 12 SER HA H 1 4.36 0.1 . 1 . . . . . . . . 4741 1 54 . 1 1 12 12 SER HB2 H 1 3.80 0.1 . 2 . . . . . . . . 4741 1 55 . 1 1 13 13 TYR H H 1 8.04 0.1 . 1 . . . . . . . . 4741 1 56 . 1 1 13 13 TYR HA H 1 4.50 0.1 . 1 . . . . . . . . 4741 1 57 . 1 1 13 13 TYR HB2 H 1 3.01 0.1 . 2 . . . . . . . . 4741 1 58 . 1 1 13 13 TYR HD1 H 1 7.08 0.1 . 3 . . . . . . . . 4741 1 59 . 1 1 13 13 TYR HE1 H 1 6.80 0.1 . 3 . . . . . . . . 4741 1 60 . 1 1 14 14 LEU H H 1 7.97 0.1 . 1 . . . . . . . . 4741 1 61 . 1 1 14 14 LEU HA H 1 4.19 0.1 . 1 . . . . . . . . 4741 1 62 . 1 1 14 14 LEU HB2 H 1 1.60 0.1 . 2 . . . . . . . . 4741 1 63 . 1 1 14 14 LEU HB3 H 1 1.48 0.1 . 2 . . . . . . . . 4741 1 64 . 1 1 14 14 LEU HD11 H 1 0.82 0.1 . 2 . . . . . . . . 4741 1 65 . 1 1 14 14 LEU HD12 H 1 0.82 0.1 . 2 . . . . . . . . 4741 1 66 . 1 1 14 14 LEU HD13 H 1 0.82 0.1 . 2 . . . . . . . . 4741 1 67 . 1 1 14 14 LEU HD21 H 1 0.86 0.1 . 2 . . . . . . . . 4741 1 68 . 1 1 14 14 LEU HD22 H 1 0.86 0.1 . 2 . . . . . . . . 4741 1 69 . 1 1 14 14 LEU HD23 H 1 0.86 0.1 . 2 . . . . . . . . 4741 1 70 . 1 1 15 15 GLU H H 1 8.17 0.1 . 1 . . . . . . . . 4741 1 71 . 1 1 15 15 GLU HA H 1 4.20 0.1 . 1 . . . . . . . . 4741 1 72 . 1 1 15 15 GLU HB2 H 1 1.99 0.1 . 2 . . . . . . . . 4741 1 73 . 1 1 15 15 GLU HB3 H 1 2.09 0.1 . 2 . . . . . . . . 4741 1 74 . 1 1 15 15 GLU HG2 H 1 2.30 0.1 . 2 . . . . . . . . 4741 1 75 . 1 1 16 16 GLY H H 1 8.29 0.1 . 1 . . . . . . . . 4741 1 76 . 1 1 16 16 GLY HA2 H 1 3.95 0.1 . 2 . . . . . . . . 4741 1 77 . 1 1 17 17 GLN H H 1 8.09 0.1 . 1 . . . . . . . . 4741 1 78 . 1 1 17 17 GLN HA H 1 4.27 0.1 . 1 . . . . . . . . 4741 1 79 . 1 1 17 17 GLN HB2 H 1 2.02 0.1 . 2 . . . . . . . . 4741 1 80 . 1 1 17 17 GLN HB3 H 1 2.11 0.1 . 2 . . . . . . . . 4741 1 81 . 1 1 17 17 GLN HG2 H 1 2.45 0.1 . 2 . . . . . . . . 4741 1 82 . 1 1 17 17 GLN HG3 H 1 2.48 0.1 . 2 . . . . . . . . 4741 1 83 . 1 1 17 17 GLN HE21 H 1 7.42 0.1 . 2 . . . . . . . . 4741 1 84 . 1 1 17 17 GLN HE22 H 1 6.82 0.1 . 2 . . . . . . . . 4741 1 85 . 1 1 18 18 ALA H H 1 8.22 0.1 . 1 . . . . . . . . 4741 1 86 . 1 1 18 18 ALA HA H 1 4.22 0.1 . 1 . . . . . . . . 4741 1 87 . 1 1 18 18 ALA HB1 H 1 1.41 0.1 . 1 . . . . . . . . 4741 1 88 . 1 1 18 18 ALA HB2 H 1 1.41 0.1 . 1 . . . . . . . . 4741 1 89 . 1 1 18 18 ALA HB3 H 1 1.41 0.1 . 1 . . . . . . . . 4741 1 90 . 1 1 19 19 ALA H H 1 7.99 0.1 . 1 . . . . . . . . 4741 1 91 . 1 1 19 19 ALA HA H 1 4.19 0.1 . 1 . . . . . . . . 4741 1 92 . 1 1 19 19 ALA HB1 H 1 1.40 0.1 . 1 . . . . . . . . 4741 1 93 . 1 1 19 19 ALA HB2 H 1 1.40 0.1 . 1 . . . . . . . . 4741 1 94 . 1 1 19 19 ALA HB3 H 1 1.40 0.1 . 1 . . . . . . . . 4741 1 95 . 1 1 20 20 LYS H H 1 7.97 0.1 . 1 . . . . . . . . 4741 1 96 . 1 1 20 20 LYS HA H 1 4.16 0.1 . 1 . . . . . . . . 4741 1 97 . 1 1 20 20 LYS HB2 H 1 1.80 0.1 . 2 . . . . . . . . 4741 1 98 . 1 1 20 20 LYS HG2 H 1 1.48 0.1 . 4 . . . . . . . . 4741 1 99 . 1 1 20 20 LYS HD2 H 1 1.61 0.1 . 4 . . . . . . . . 4741 1 100 . 1 1 20 20 LYS HE2 H 1 2.96 0.1 . 2 . . . . . . . . 4741 1 101 . 1 1 20 20 LYS HZ1 H 1 7.51 0.1 . 1 . . . . . . . . 4741 1 102 . 1 1 20 20 LYS HZ2 H 1 7.51 0.1 . 1 . . . . . . . . 4741 1 103 . 1 1 20 20 LYS HZ3 H 1 7.51 0.1 . 1 . . . . . . . . 4741 1 104 . 1 1 21 21 GLU H H 1 8.06 0.1 . 1 . . . . . . . . 4741 1 105 . 1 1 21 21 GLU HA H 1 4.23 0.1 . 1 . . . . . . . . 4741 1 106 . 1 1 21 21 GLU HB2 H 1 1.98 0.1 . 2 . . . . . . . . 4741 1 107 . 1 1 21 21 GLU HG2 H 1 2.38 0.1 . 2 . . . . . . . . 4741 1 108 . 1 1 22 22 PHE H H 1 8.10 0.1 . 1 . . . . . . . . 4741 1 109 . 1 1 22 22 PHE HA H 1 4.48 0.1 . 1 . . . . . . . . 4741 1 110 . 1 1 22 22 PHE HB2 H 1 3.02 0.1 . 2 . . . . . . . . 4741 1 111 . 1 1 22 22 PHE HB3 H 1 3.08 0.1 . 2 . . . . . . . . 4741 1 112 . 1 1 22 22 PHE HD1 H 1 7.16 0.1 . 3 . . . . . . . . 4741 1 113 . 1 1 22 22 PHE HE1 H 1 7.28 0.1 . 3 . . . . . . . . 4741 1 114 . 1 1 22 22 PHE HZ H 1 7.26 0.1 . 1 . . . . . . . . 4741 1 115 . 1 1 23 23 ILE H H 1 7.86 0.1 . 1 . . . . . . . . 4741 1 116 . 1 1 23 23 ILE HA H 1 3.86 0.1 . 1 . . . . . . . . 4741 1 117 . 1 1 23 23 ILE HB H 1 1.73 0.1 . 1 . . . . . . . . 4741 1 118 . 1 1 23 23 ILE HG12 H 1 1.14 0.1 . 2 . . . . . . . . 4741 1 119 . 1 1 23 23 ILE HG13 H 1 1.46 0.1 . 2 . . . . . . . . 4741 1 120 . 1 1 23 23 ILE HG21 H 1 0.68 0.1 . 1 . . . . . . . . 4741 1 121 . 1 1 23 23 ILE HG22 H 1 0.68 0.1 . 1 . . . . . . . . 4741 1 122 . 1 1 23 23 ILE HG23 H 1 0.68 0.1 . 1 . . . . . . . . 4741 1 123 . 1 1 23 23 ILE HD11 H 1 0.80 0.1 . 1 . . . . . . . . 4741 1 124 . 1 1 23 23 ILE HD12 H 1 0.80 0.1 . 1 . . . . . . . . 4741 1 125 . 1 1 23 23 ILE HD13 H 1 0.80 0.1 . 1 . . . . . . . . 4741 1 126 . 1 1 24 24 ALA H H 1 7.97 0.1 . 1 . . . . . . . . 4741 1 127 . 1 1 24 24 ALA HA H 1 4.12 0.1 . 1 . . . . . . . . 4741 1 128 . 1 1 24 24 ALA HB1 H 1 1.36 0.1 . 1 . . . . . . . . 4741 1 129 . 1 1 24 24 ALA HB2 H 1 1.36 0.1 . 1 . . . . . . . . 4741 1 130 . 1 1 24 24 ALA HB3 H 1 1.36 0.1 . 1 . . . . . . . . 4741 1 131 . 1 1 25 25 TRP H H 1 7.79 0.1 . 1 . . . . . . . . 4741 1 132 . 1 1 25 25 TRP HA H 1 4.53 0.1 . 1 . . . . . . . . 4741 1 133 . 1 1 25 25 TRP HB2 H 1 3.26 0.1 . 2 . . . . . . . . 4741 1 134 . 1 1 25 25 TRP HB3 H 1 3.32 0.1 . 2 . . . . . . . . 4741 1 135 . 1 1 25 25 TRP HD1 H 1 7.19 0.1 . 1 . . . . . . . . 4741 1 136 . 1 1 25 25 TRP HE1 H 1 10.10 0.1 . 2 . . . . . . . . 4741 1 137 . 1 1 25 25 TRP HE3 H 1 7.47 0.1 . 3 . . . . . . . . 4741 1 138 . 1 1 25 25 TRP HZ2 H 1 7.09 0.1 . 3 . . . . . . . . 4741 1 139 . 1 1 25 25 TRP HZ3 H 1 7.46 0.1 . 3 . . . . . . . . 4741 1 140 . 1 1 25 25 TRP HH2 H 1 7.22 0.1 . 3 . . . . . . . . 4741 1 141 . 1 1 26 26 LEU H H 1 7.83 0.1 . 1 . . . . . . . . 4741 1 142 . 1 1 26 26 LEU HA H 1 4.10 0.1 . 1 . . . . . . . . 4741 1 143 . 1 1 26 26 LEU HB2 H 1 1.37 0.1 . 2 . . . . . . . . 4741 1 144 . 1 1 26 26 LEU HB3 H 1 1.49 0.1 . 2 . . . . . . . . 4741 1 145 . 1 1 26 26 LEU HD11 H 1 0.77 0.1 . 2 . . . . . . . . 4741 1 146 . 1 1 26 26 LEU HD12 H 1 0.77 0.1 . 2 . . . . . . . . 4741 1 147 . 1 1 26 26 LEU HD13 H 1 0.77 0.1 . 2 . . . . . . . . 4741 1 148 . 1 1 26 26 LEU HD21 H 1 0.81 0.1 . 2 . . . . . . . . 4741 1 149 . 1 1 26 26 LEU HD22 H 1 0.81 0.1 . 2 . . . . . . . . 4741 1 150 . 1 1 26 26 LEU HD23 H 1 0.81 0.1 . 2 . . . . . . . . 4741 1 151 . 1 1 27 27 VAL H H 1 7.86 0.1 . 1 . . . . . . . . 4741 1 152 . 1 1 27 27 VAL HA H 1 3.95 0.1 . 1 . . . . . . . . 4741 1 153 . 1 1 27 27 VAL HB H 1 2.05 0.1 . 1 . . . . . . . . 4741 1 154 . 1 1 27 27 VAL HG11 H 1 0.90 0.1 . 2 . . . . . . . . 4741 1 155 . 1 1 27 27 VAL HG12 H 1 0.90 0.1 . 2 . . . . . . . . 4741 1 156 . 1 1 27 27 VAL HG13 H 1 0.90 0.1 . 2 . . . . . . . . 4741 1 157 . 1 1 27 27 VAL HG21 H 1 0.93 0.1 . 2 . . . . . . . . 4741 1 158 . 1 1 27 27 VAL HG22 H 1 0.93 0.1 . 2 . . . . . . . . 4741 1 159 . 1 1 27 27 VAL HG23 H 1 0.93 0.1 . 2 . . . . . . . . 4741 1 160 . 1 1 28 28 LYS H H 1 8.14 0.1 . 1 . . . . . . . . 4741 1 161 . 1 1 28 28 LYS HA H 1 4.23 0.1 . 1 . . . . . . . . 4741 1 162 . 1 1 28 28 LYS HB2 H 1 1.79 0.1 . 2 . . . . . . . . 4741 1 163 . 1 1 28 28 LYS HG2 H 1 1.41 0.1 . 4 . . . . . . . . 4741 1 164 . 1 1 28 28 LYS HD2 H 1 1.64 0.1 . 4 . . . . . . . . 4741 1 165 . 1 1 28 28 LYS HE2 H 1 2.95 0.1 . 2 . . . . . . . . 4741 1 166 . 1 1 28 28 LYS HZ1 H 1 7.51 0.1 . 1 . . . . . . . . 4741 1 167 . 1 1 28 28 LYS HZ2 H 1 7.51 0.1 . 1 . . . . . . . . 4741 1 168 . 1 1 28 28 LYS HZ3 H 1 7.51 0.1 . 1 . . . . . . . . 4741 1 169 . 1 1 29 29 GLY H H 1 8.24 0.1 . 1 . . . . . . . . 4741 1 170 . 1 1 29 29 GLY HA2 H 1 3.89 0.1 . 2 . . . . . . . . 4741 1 171 . 1 1 30 30 ARG H H 1 8.07 0.1 . 1 . . . . . . . . 4741 1 172 . 1 1 30 30 ARG HA H 1 4.25 0.1 . 1 . . . . . . . . 4741 1 173 . 1 1 30 30 ARG HB2 H 1 1.72 0.1 . 2 . . . . . . . . 4741 1 174 . 1 1 30 30 ARG HB3 H 1 1.85 0.1 . 2 . . . . . . . . 4741 1 175 . 1 1 30 30 ARG HG2 H 1 1.59 0.1 . 4 . . . . . . . . 4741 1 176 . 1 1 30 30 ARG HD2 H 1 3.15 0.1 . 2 . . . . . . . . 4741 1 177 . 1 1 30 30 ARG HH11 H 1 7.13 0.1 . 4 . . . . . . . . 4741 1 stop_ save_ save_chemical_shift_assignment_sample2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_sample2 _Assigned_chem_shift_list.Entry_ID 4741 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond-1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 2 $sample_2 . 4741 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 . 1 1 1 1 HIS HA H 1 4.30 0.1 . 1 . . . . . . . . 4741 2 2 . 1 1 1 1 HIS HD1 H 1 8.67 0.1 . 1 . . . . . . . . 4741 2 3 . 1 1 1 1 HIS HE1 H 1 7.42 0.1 . 2 . . . . . . . . 4741 2 4 . 1 1 2 2 ALA H H 1 8.80 0.1 . 1 . . . . . . . . 4741 2 5 . 1 1 2 2 ALA HA H 1 4.40 0.1 . 1 . . . . . . . . 4741 2 6 . 1 1 2 2 ALA HB1 H 1 1.40 0.1 . 1 . . . . . . . . 4741 2 7 . 1 1 2 2 ALA HB2 H 1 1.40 0.1 . 1 . . . . . . . . 4741 2 8 . 1 1 2 2 ALA HB3 H 1 1.40 0.1 . 1 . . . . . . . . 4741 2 9 . 1 1 3 3 GLU H H 1 8.61 0.1 . 1 . . . . . . . . 4741 2 10 . 1 1 3 3 GLU HA H 1 4.44 0.1 . 1 . . . . . . . . 4741 2 11 . 1 1 3 3 GLU HB2 H 1 2.00 0.1 . 2 . . . . . . . . 4741 2 12 . 1 1 3 3 GLU HB3 H 1 2.14 0.1 . 2 . . . . . . . . 4741 2 13 . 1 1 3 3 GLU HG2 H 1 2.51 0.1 . 2 . . . . . . . . 4741 2 14 . 1 1 4 4 GLY H H 1 8.43 0.1 . 1 . . . . . . . . 4741 2 15 . 1 1 4 4 GLY HA2 H 1 3.97 0.1 . 2 . . . . . . . . 4741 2 16 . 1 1 5 5 THR H H 1 7.96 0.1 . 1 . . . . . . . . 4741 2 17 . 1 1 5 5 THR HA H 1 4.30 0.1 . 1 . . . . . . . . 4741 2 18 . 1 1 5 5 THR HB H 1 4.12 0.1 . 1 . . . . . . . . 4741 2 19 . 1 1 5 5 THR HG21 H 1 1.11 0.1 . 1 . . . . . . . . 4741 2 20 . 1 1 5 5 THR HG22 H 1 1.11 0.1 . 1 . . . . . . . . 4741 2 21 . 1 1 5 5 THR HG23 H 1 1.11 0.1 . 1 . . . . . . . . 4741 2 22 . 1 1 6 6 PHE H H 1 8.33 0.1 . 1 . . . . . . . . 4741 2 23 . 1 1 6 6 PHE HA H 1 4.67 0.1 . 1 . . . . . . . . 4741 2 24 . 1 1 6 6 PHE HB2 H 1 3.01 0.1 . 2 . . . . . . . . 4741 2 25 . 1 1 6 6 PHE HB3 H 1 3.13 0.1 . 2 . . . . . . . . 4741 2 26 . 1 1 7 7 THR H H 1 8.01 0.1 . 1 . . . . . . . . 4741 2 27 . 1 1 7 7 THR HA H 1 4.27 0.1 . 1 . . . . . . . . 4741 2 28 . 1 1 7 7 THR HB H 1 4.16 0.1 . 1 . . . . . . . . 4741 2 29 . 1 1 7 7 THR HG21 H 1 1.14 0.1 . 1 . . . . . . . . 4741 2 30 . 1 1 7 7 THR HG22 H 1 1.14 0.1 . 1 . . . . . . . . 4741 2 31 . 1 1 7 7 THR HG23 H 1 1.14 0.1 . 1 . . . . . . . . 4741 2 32 . 1 1 8 8 SER H H 1 8.18 0.1 . 1 . . . . . . . . 4741 2 33 . 1 1 8 8 SER HA H 1 4.41 0.1 . 1 . . . . . . . . 4741 2 34 . 1 1 8 8 SER HB2 H 1 3.89 0.1 . 2 . . . . . . . . 4741 2 35 . 1 1 8 8 SER HB3 H 1 3.83 0.1 . 2 . . . . . . . . 4741 2 36 . 1 1 9 9 ASP H H 1 8.43 0.1 . 1 . . . . . . . . 4741 2 37 . 1 1 9 9 ASP HA H 1 4.73 0.1 . 1 . . . . . . . . 4741 2 38 . 1 1 9 9 ASP HB2 H 1 2.86 0.1 . 2 . . . . . . . . 4741 2 39 . 1 1 10 10 VAL H H 1 8.01 0.1 . 1 . . . . . . . . 4741 2 40 . 1 1 10 10 VAL HA H 1 4.05 0.1 . 1 . . . . . . . . 4741 2 41 . 1 1 10 10 VAL HB H 1 2.08 0.1 . 1 . . . . . . . . 4741 2 42 . 1 1 10 10 VAL HG11 H 1 0.90 0.1 . 2 . . . . . . . . 4741 2 43 . 1 1 10 10 VAL HG12 H 1 0.90 0.1 . 2 . . . . . . . . 4741 2 44 . 1 1 10 10 VAL HG13 H 1 0.90 0.1 . 2 . . . . . . . . 4741 2 45 . 1 1 11 11 SER H H 1 8.22 0.1 . 1 . . . . . . . . 4741 2 46 . 1 1 11 11 SER HA H 1 4.34 0.1 . 1 . . . . . . . . 4741 2 47 . 1 1 11 11 SER HB2 H 1 3.91 0.1 . 2 . . . . . . . . 4741 2 48 . 1 1 12 12 SER H H 1 8.17 0.1 . 1 . . . . . . . . 4741 2 49 . 1 1 12 12 SER HA H 1 4.31 0.1 . 1 . . . . . . . . 4741 2 50 . 1 1 12 12 SER HB2 H 1 3.83 0.1 . 2 . . . . . . . . 4741 2 51 . 1 1 13 13 TYR H H 1 7.98 0.1 . 1 . . . . . . . . 4741 2 52 . 1 1 13 13 TYR HA H 1 4.44 0.1 . 1 . . . . . . . . 4741 2 53 . 1 1 13 13 TYR HB2 H 1 3.02 0.1 . 2 . . . . . . . . 4741 2 54 . 1 1 13 13 TYR HD1 H 1 7.05 0.1 . 3 . . . . . . . . 4741 2 55 . 1 1 13 13 TYR HE1 H 1 6.77 0.1 . 3 . . . . . . . . 4741 2 56 . 1 1 14 14 LEU H H 1 7.98 0.1 . 1 . . . . . . . . 4741 2 57 . 1 1 14 14 LEU HA H 1 4.11 0.1 . 1 . . . . . . . . 4741 2 58 . 1 1 14 14 LEU HB2 H 1 1.66 0.1 . 2 . . . . . . . . 4741 2 59 . 1 1 14 14 LEU HB3 H 1 1.46 0.1 . 2 . . . . . . . . 4741 2 60 . 1 1 14 14 LEU HD11 H 1 0.83 0.1 . 2 . . . . . . . . 4741 2 61 . 1 1 14 14 LEU HD12 H 1 0.83 0.1 . 2 . . . . . . . . 4741 2 62 . 1 1 14 14 LEU HD13 H 1 0.83 0.1 . 2 . . . . . . . . 4741 2 63 . 1 1 14 14 LEU HD21 H 1 0.81 0.1 . 2 . . . . . . . . 4741 2 64 . 1 1 14 14 LEU HD22 H 1 0.81 0.1 . 2 . . . . . . . . 4741 2 65 . 1 1 14 14 LEU HD23 H 1 0.81 0.1 . 2 . . . . . . . . 4741 2 66 . 1 1 15 15 GLU H H 1 8.05 0.1 . 1 . . . . . . . . 4741 2 67 . 1 1 15 15 GLU HA H 1 4.22 0.1 . 1 . . . . . . . . 4741 2 68 . 1 1 15 15 GLU HB2 H 1 2.03 0.1 . 2 . . . . . . . . 4741 2 69 . 1 1 15 15 GLU HG2 H 1 2.48 0.1 . 2 . . . . . . . . 4741 2 70 . 1 1 15 15 GLU HG3 H 1 2.41 0.1 . 2 . . . . . . . . 4741 2 71 . 1 1 16 16 GLY H H 1 8.21 0.1 . 1 . . . . . . . . 4741 2 72 . 1 1 16 16 GLY HA2 H 1 3.93 0.1 . 2 . . . . . . . . 4741 2 73 . 1 1 17 17 GLN H H 1 8.20 0.1 . 1 . . . . . . . . 4741 2 74 . 1 1 17 17 GLN HA H 1 4.12 0.1 . 1 . . . . . . . . 4741 2 75 . 1 1 17 17 GLN HB2 H 1 2.01 0.1 . 2 . . . . . . . . 4741 2 76 . 1 1 17 17 GLN HG2 H 1 2.30 0.1 . 2 . . . . . . . . 4741 2 77 . 1 1 17 17 GLN HG3 H 1 2.25 0.1 . 2 . . . . . . . . 4741 2 78 . 1 1 17 17 GLN HE21 H 1 7.36 0.1 . 2 . . . . . . . . 4741 2 79 . 1 1 17 17 GLN HE22 H 1 6.82 0.1 . 2 . . . . . . . . 4741 2 80 . 1 1 18 18 ALA H H 1 8.21 0.1 . 1 . . . . . . . . 4741 2 81 . 1 1 18 18 ALA HA H 1 4.19 0.1 . 1 . . . . . . . . 4741 2 82 . 1 1 18 18 ALA HB1 H 1 1.45 0.1 . 1 . . . . . . . . 4741 2 83 . 1 1 18 18 ALA HB2 H 1 1.45 0.1 . 1 . . . . . . . . 4741 2 84 . 1 1 18 18 ALA HB3 H 1 1.45 0.1 . 1 . . . . . . . . 4741 2 85 . 1 1 19 19 ALA H H 1 7.93 0.1 . 1 . . . . . . . . 4741 2 86 . 1 1 19 19 ALA HA H 1 4.11 0.1 . 1 . . . . . . . . 4741 2 87 . 1 1 19 19 ALA HB1 H 1 1.39 0.1 . 1 . . . . . . . . 4741 2 88 . 1 1 19 19 ALA HB2 H 1 1.39 0.1 . 1 . . . . . . . . 4741 2 89 . 1 1 19 19 ALA HB3 H 1 1.39 0.1 . 1 . . . . . . . . 4741 2 90 . 1 1 20 20 LYS H H 1 7.83 0.1 . 1 . . . . . . . . 4741 2 91 . 1 1 20 20 LYS HA H 1 4.06 0.1 . 1 . . . . . . . . 4741 2 92 . 1 1 20 20 LYS HB2 H 1 1.85 0.1 . 2 . . . . . . . . 4741 2 93 . 1 1 20 20 LYS HG2 H 1 1.39 0.1 . 4 . . . . . . . . 4741 2 94 . 1 1 20 20 LYS HG3 H 1 1.53 0.1 . 4 . . . . . . . . 4741 2 95 . 1 1 20 20 LYS HD2 H 1 1.66 0.1 . 4 . . . . . . . . 4741 2 96 . 1 1 20 20 LYS HE2 H 1 2.95 0.1 . 2 . . . . . . . . 4741 2 97 . 1 1 20 20 LYS HZ1 H 1 7.53 0.1 . 1 . . . . . . . . 4741 2 98 . 1 1 20 20 LYS HZ2 H 1 7.53 0.1 . 1 . . . . . . . . 4741 2 99 . 1 1 20 20 LYS HZ3 H 1 7.53 0.1 . 1 . . . . . . . . 4741 2 100 . 1 1 21 21 GLU H H 1 8.06 0.1 . 1 . . . . . . . . 4741 2 101 . 1 1 21 21 GLU HA H 1 4.20 0.1 . 1 . . . . . . . . 4741 2 102 . 1 1 21 21 GLU HB2 H 1 2.11 0.1 . 2 . . . . . . . . 4741 2 103 . 1 1 21 21 GLU HG2 H 1 2.43 0.1 . 2 . . . . . . . . 4741 2 104 . 1 1 21 21 GLU HG3 H 1 2.52 0.1 . 2 . . . . . . . . 4741 2 105 . 1 1 22 22 PHE H H 1 8.14 0.1 . 1 . . . . . . . . 4741 2 106 . 1 1 22 22 PHE HA H 1 4.22 0.1 . 1 . . . . . . . . 4741 2 107 . 1 1 22 22 PHE HB2 H 1 2.93 0.1 . 2 . . . . . . . . 4741 2 108 . 1 1 22 22 PHE HB3 H 1 3.05 0.1 . 2 . . . . . . . . 4741 2 109 . 1 1 23 23 ILE H H 1 7.97 0.1 . 1 . . . . . . . . 4741 2 110 . 1 1 23 23 ILE HA H 1 3.66 0.1 . 1 . . . . . . . . 4741 2 111 . 1 1 23 23 ILE HB H 1 1.82 0.1 . 1 . . . . . . . . 4741 2 112 . 1 1 23 23 ILE HG12 H 1 1.20 0.1 . 2 . . . . . . . . 4741 2 113 . 1 1 23 23 ILE HG13 H 1 1.58 0.1 . 2 . . . . . . . . 4741 2 114 . 1 1 23 23 ILE HG21 H 1 0.77 0.1 . 1 . . . . . . . . 4741 2 115 . 1 1 23 23 ILE HG22 H 1 0.77 0.1 . 1 . . . . . . . . 4741 2 116 . 1 1 23 23 ILE HG23 H 1 0.77 0.1 . 1 . . . . . . . . 4741 2 117 . 1 1 23 23 ILE HD11 H 1 0.80 0.1 . 1 . . . . . . . . 4741 2 118 . 1 1 23 23 ILE HD12 H 1 0.80 0.1 . 1 . . . . . . . . 4741 2 119 . 1 1 23 23 ILE HD13 H 1 0.80 0.1 . 1 . . . . . . . . 4741 2 120 . 1 1 24 24 ALA H H 1 7.81 0.1 . 1 . . . . . . . . 4741 2 121 . 1 1 24 24 ALA HA H 1 4.07 0.1 . 1 . . . . . . . . 4741 2 122 . 1 1 24 24 ALA HB1 H 1 1.41 0.1 . 1 . . . . . . . . 4741 2 123 . 1 1 24 24 ALA HB2 H 1 1.41 0.1 . 1 . . . . . . . . 4741 2 124 . 1 1 24 24 ALA HB3 H 1 1.41 0.1 . 1 . . . . . . . . 4741 2 125 . 1 1 25 25 TRP H H 1 7.84 0.1 . 1 . . . . . . . . 4741 2 126 . 1 1 25 25 TRP HA H 1 4.30 0.1 . 1 . . . . . . . . 4741 2 127 . 1 1 25 25 TRP HB2 H 1 3.24 0.1 . 2 . . . . . . . . 4741 2 128 . 1 1 25 25 TRP HB3 H 1 3.39 0.1 . 2 . . . . . . . . 4741 2 129 . 1 1 25 25 TRP HE1 H 1 9.96 0.1 . 4 . . . . . . . . 4741 2 130 . 1 1 25 25 TRP HE3 H 1 7.07 0.1 . 4 . . . . . . . . 4741 2 131 . 1 1 26 26 LEU H H 1 7.98 0.1 . 1 . . . . . . . . 4741 2 132 . 1 1 26 26 LEU HA H 1 3.78 0.1 . 1 . . . . . . . . 4741 2 133 . 1 1 26 26 LEU HB2 H 1 1.37 0.1 . 2 . . . . . . . . 4741 2 134 . 1 1 26 26 LEU HB3 H 1 1.53 0.1 . 2 . . . . . . . . 4741 2 135 . 1 1 26 26 LEU HD11 H 1 0.71 0.1 . 2 . . . . . . . . 4741 2 136 . 1 1 26 26 LEU HD12 H 1 0.71 0.1 . 2 . . . . . . . . 4741 2 137 . 1 1 26 26 LEU HD13 H 1 0.71 0.1 . 2 . . . . . . . . 4741 2 138 . 1 1 27 27 VAL H H 1 7.91 0.1 . 1 . . . . . . . . 4741 2 139 . 1 1 27 27 VAL HA H 1 3.85 0.1 . 1 . . . . . . . . 4741 2 140 . 1 1 27 27 VAL HB H 1 2.08 0.1 . 1 . . . . . . . . 4741 2 141 . 1 1 27 27 VAL HG11 H 1 0.88 0.1 . 2 . . . . . . . . 4741 2 142 . 1 1 27 27 VAL HG12 H 1 0.88 0.1 . 2 . . . . . . . . 4741 2 143 . 1 1 27 27 VAL HG13 H 1 0.88 0.1 . 2 . . . . . . . . 4741 2 144 . 1 1 27 27 VAL HG21 H 1 0.93 0.1 . 2 . . . . . . . . 4741 2 145 . 1 1 27 27 VAL HG22 H 1 0.93 0.1 . 2 . . . . . . . . 4741 2 146 . 1 1 27 27 VAL HG23 H 1 0.93 0.1 . 2 . . . . . . . . 4741 2 147 . 1 1 28 28 LYS H H 1 7.96 0.1 . 1 . . . . . . . . 4741 2 148 . 1 1 28 28 LYS HA H 1 4.12 0.1 . 1 . . . . . . . . 4741 2 149 . 1 1 28 28 LYS HB2 H 1 1.80 0.1 . 2 . . . . . . . . 4741 2 150 . 1 1 28 28 LYS HG2 H 1 1.41 0.1 . 4 . . . . . . . . 4741 2 151 . 1 1 28 28 LYS HG3 H 1 1.51 0.1 . 4 . . . . . . . . 4741 2 152 . 1 1 28 28 LYS HD2 H 1 1.63 0.1 . 4 . . . . . . . . 4741 2 153 . 1 1 28 28 LYS HE2 H 1 2.93 0.1 . 2 . . . . . . . . 4741 2 154 . 1 1 28 28 LYS HZ1 H 1 7.47 0.1 . 1 . . . . . . . . 4741 2 155 . 1 1 28 28 LYS HZ2 H 1 7.47 0.1 . 1 . . . . . . . . 4741 2 156 . 1 1 28 28 LYS HZ3 H 1 7.47 0.1 . 1 . . . . . . . . 4741 2 157 . 1 1 29 29 GLY H H 1 8.06 0.1 . 1 . . . . . . . . 4741 2 158 . 1 1 29 29 GLY HA2 H 1 3.80 0.1 . 2 . . . . . . . . 4741 2 159 . 1 1 30 30 ARG H H 1 7.89 0.1 . 1 . . . . . . . . 4741 2 160 . 1 1 30 30 ARG HA H 1 4.16 0.1 . 1 . . . . . . . . 4741 2 161 . 1 1 30 30 ARG HB2 H 1 1.66 0.1 . 2 . . . . . . . . 4741 2 162 . 1 1 30 30 ARG HB3 H 1 1.79 0.1 . 2 . . . . . . . . 4741 2 163 . 1 1 30 30 ARG HG2 H 1 1.53 0.1 . 4 . . . . . . . . 4741 2 164 . 1 1 30 30 ARG HD2 H 1 3.08 0.1 . 2 . . . . . . . . 4741 2 165 . 1 1 30 30 ARG HH11 H 1 7.10 0.1 . 4 . . . . . . . . 4741 2 stop_ save_ save_chemical_shift_assignment_sample3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_sample3 _Assigned_chem_shift_list.Entry_ID 4741 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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 . 4741 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 HIS HA H 1 4.32 0.1 . 1 . . . . . . . . 4741 3 2 . 1 1 1 1 HIS HD1 H 1 8.66 0.1 . 1 . . . . . . . . 4741 3 3 . 1 1 1 1 HIS HE1 H 1 7.41 0.1 . 2 . . . . . . . . 4741 3 4 . 1 1 2 2 ALA H H 1 8.79 0.1 . 1 . . . . . . . . 4741 3 5 . 1 1 2 2 ALA HA H 1 4.39 0.1 . 1 . . . . . . . . 4741 3 6 . 1 1 2 2 ALA HB1 H 1 1.39 0.1 . 1 . . . . . . . . 4741 3 7 . 1 1 2 2 ALA HB2 H 1 1.39 0.1 . 1 . . . . . . . . 4741 3 8 . 1 1 2 2 ALA HB3 H 1 1.39 0.1 . 1 . . . . . . . . 4741 3 9 . 1 1 3 3 GLU H H 1 8.58 0.1 . 1 . . . . . . . . 4741 3 10 . 1 1 3 3 GLU HA H 1 4.44 0.1 . 1 . . . . . . . . 4741 3 11 . 1 1 3 3 GLU HB2 H 1 1.98 0.1 . 2 . . . . . . . . 4741 3 12 . 1 1 3 3 GLU HB3 H 1 2.13 0.1 . 2 . . . . . . . . 4741 3 13 . 1 1 3 3 GLU HG2 H 1 2.50 0.1 . 2 . . . . . . . . 4741 3 14 . 1 1 4 4 GLY H H 1 8.40 0.1 . 1 . . . . . . . . 4741 3 15 . 1 1 4 4 GLY HA2 H 1 3.96 0.1 . 2 . . . . . . . . 4741 3 16 . 1 1 5 5 THR H H 1 7.94 0.1 . 1 . . . . . . . . 4741 3 17 . 1 1 5 5 THR HA H 1 4.29 0.1 . 1 . . . . . . . . 4741 3 18 . 1 1 5 5 THR HB H 1 4.12 0.1 . 1 . . . . . . . . 4741 3 19 . 1 1 5 5 THR HG21 H 1 1.09 0.1 . 1 . . . . . . . . 4741 3 20 . 1 1 5 5 THR HG22 H 1 1.09 0.1 . 1 . . . . . . . . 4741 3 21 . 1 1 5 5 THR HG23 H 1 1.09 0.1 . 1 . . . . . . . . 4741 3 22 . 1 1 6 6 PHE H H 1 8.30 0.1 . 1 . . . . . . . . 4741 3 23 . 1 1 6 6 PHE HA H 1 4.64 0.1 . 1 . . . . . . . . 4741 3 24 . 1 1 6 6 PHE HB2 H 1 3.01 0.1 . 2 . . . . . . . . 4741 3 25 . 1 1 6 6 PHE HB3 H 1 3.11 0.1 . 2 . . . . . . . . 4741 3 26 . 1 1 7 7 THR H H 1 7.96 0.1 . 1 . . . . . . . . 4741 3 27 . 1 1 7 7 THR HA H 1 4.23 0.1 . 1 . . . . . . . . 4741 3 28 . 1 1 7 7 THR HB H 1 4.14 0.1 . 1 . . . . . . . . 4741 3 29 . 1 1 7 7 THR HG21 H 1 1.14 0.1 . 1 . . . . . . . . 4741 3 30 . 1 1 7 7 THR HG22 H 1 1.14 0.1 . 1 . . . . . . . . 4741 3 31 . 1 1 7 7 THR HG23 H 1 1.14 0.1 . 1 . . . . . . . . 4741 3 32 . 1 1 8 8 SER H H 1 8.14 0.1 . 1 . . . . . . . . 4741 3 33 . 1 1 8 8 SER HA H 1 4.39 0.1 . 1 . . . . . . . . 4741 3 34 . 1 1 8 8 SER HB2 H 1 3.89 0.1 . 2 . . . . . . . . 4741 3 35 . 1 1 8 8 SER HB3 H 1 3.82 0.1 . 2 . . . . . . . . 4741 3 36 . 1 1 9 9 ASP H H 1 8.40 0.1 . 1 . . . . . . . . 4741 3 37 . 1 1 9 9 ASP HA H 1 4.70 0.1 . 1 . . . . . . . . 4741 3 38 . 1 1 9 9 ASP HB2 H 1 2.87 0.1 . 2 . . . . . . . . 4741 3 39 . 1 1 10 10 VAL H H 1 7.99 0.1 . 1 . . . . . . . . 4741 3 40 . 1 1 10 10 VAL HA H 1 3.99 0.1 . 1 . . . . . . . . 4741 3 41 . 1 1 10 10 VAL HB H 1 2.06 0.1 . 1 . . . . . . . . 4741 3 42 . 1 1 10 10 VAL HG11 H 1 0.88 0.1 . 2 . . . . . . . . 4741 3 43 . 1 1 10 10 VAL HG12 H 1 0.88 0.1 . 2 . . . . . . . . 4741 3 44 . 1 1 10 10 VAL HG13 H 1 0.88 0.1 . 2 . . . . . . . . 4741 3 45 . 1 1 11 11 SER H H 1 8.15 0.1 . 1 . . . . . . . . 4741 3 46 . 1 1 11 11 SER HA H 1 4.28 0.1 . 1 . . . . . . . . 4741 3 47 . 1 1 11 11 SER HB2 H 1 3.85 0.1 . 2 . . . . . . . . 4741 3 48 . 1 1 12 12 SER H H 1 8.12 0.1 . 1 . . . . . . . . 4741 3 49 . 1 1 12 12 SER HA H 1 4.27 0.1 . 1 . . . . . . . . 4741 3 50 . 1 1 12 12 SER HB2 H 1 3.92 0.1 . 2 . . . . . . . . 4741 3 51 . 1 1 12 12 SER HB3 H 1 3.82 0.1 . 2 . . . . . . . . 4741 3 52 . 1 1 13 13 TYR H H 1 7.93 0.1 . 1 . . . . . . . . 4741 3 53 . 1 1 13 13 TYR HA H 1 4.40 0.1 . 1 . . . . . . . . 4741 3 54 . 1 1 13 13 TYR HB2 H 1 3.03 0.1 . 2 . . . . . . . . 4741 3 55 . 1 1 13 13 TYR HD1 H 1 7.04 0.1 . 3 . . . . . . . . 4741 3 56 . 1 1 13 13 TYR HE1 H 1 6.75 0.1 . 3 . . . . . . . . 4741 3 57 . 1 1 14 14 LEU H H 1 7.99 0.1 . 1 . . . . . . . . 4741 3 58 . 1 1 14 14 LEU HA H 1 4.06 0.1 . 1 . . . . . . . . 4741 3 59 . 1 1 14 14 LEU HB2 H 1 1.69 0.1 . 2 . . . . . . . . 4741 3 60 . 1 1 14 14 LEU HB3 H 1 1.45 0.1 . 2 . . . . . . . . 4741 3 61 . 1 1 14 14 LEU HD11 H 1 0.81 0.1 . 2 . . . . . . . . 4741 3 62 . 1 1 14 14 LEU HD12 H 1 0.81 0.1 . 2 . . . . . . . . 4741 3 63 . 1 1 14 14 LEU HD13 H 1 0.81 0.1 . 2 . . . . . . . . 4741 3 64 . 1 1 15 15 GLU H H 1 8.04 0.1 . 1 . . . . . . . . 4741 3 65 . 1 1 15 15 GLU HA H 1 4.14 0.1 . 1 . . . . . . . . 4741 3 66 . 1 1 15 15 GLU HB2 H 1 2.20 0.1 . 2 . . . . . . . . 4741 3 67 . 1 1 15 15 GLU HG2 H 1 2.47 0.1 . 2 . . . . . . . . 4741 3 68 . 1 1 15 15 GLU HG3 H 1 2.58 0.1 . 2 . . . . . . . . 4741 3 69 . 1 1 16 16 GLY H H 1 8.13 0.1 . 1 . . . . . . . . 4741 3 70 . 1 1 16 16 GLY HA2 H 1 3.88 0.1 . 2 . . . . . . . . 4741 3 71 . 1 1 17 17 GLN H H 1 8.17 0.1 . 1 . . . . . . . . 4741 3 72 . 1 1 17 17 GLN HA H 1 4.08 0.1 . 1 . . . . . . . . 4741 3 73 . 1 1 17 17 GLN HB2 H 1 2.03 0.1 . 2 . . . . . . . . 4741 3 74 . 1 1 17 17 GLN HG2 H 1 2.24 0.1 . 2 . . . . . . . . 4741 3 75 . 1 1 18 18 ALA H H 1 8.20 0.1 . 1 . . . . . . . . 4741 3 76 . 1 1 18 18 ALA HA H 1 4.16 0.1 . 1 . . . . . . . . 4741 3 77 . 1 1 18 18 ALA HB1 H 1 1.46 0.1 . 1 . . . . . . . . 4741 3 78 . 1 1 18 18 ALA HB2 H 1 1.46 0.1 . 1 . . . . . . . . 4741 3 79 . 1 1 18 18 ALA HB3 H 1 1.46 0.1 . 1 . . . . . . . . 4741 3 80 . 1 1 19 19 ALA H H 1 7.90 0.1 . 1 . . . . . . . . 4741 3 81 . 1 1 19 19 ALA HA H 1 4.05 0.1 . 1 . . . . . . . . 4741 3 82 . 1 1 19 19 ALA HB1 H 1 1.39 0.1 . 1 . . . . . . . . 4741 3 83 . 1 1 19 19 ALA HB2 H 1 1.39 0.1 . 1 . . . . . . . . 4741 3 84 . 1 1 19 19 ALA HB3 H 1 1.39 0.1 . 1 . . . . . . . . 4741 3 85 . 1 1 20 20 LYS H H 1 7.75 0.1 . 1 . . . . . . . . 4741 3 86 . 1 1 20 20 LYS HA H 1 3.98 0.1 . 1 . . . . . . . . 4741 3 87 . 1 1 20 20 LYS HB2 H 1 1.88 0.1 . 2 . . . . . . . . 4741 3 88 . 1 1 20 20 LYS HG2 H 1 1.39 0.1 . 4 . . . . . . . . 4741 3 89 . 1 1 20 20 LYS HG3 H 1 1.56 0.1 . 4 . . . . . . . . 4741 3 90 . 1 1 20 20 LYS HD2 H 1 1.65 0.1 . 4 . . . . . . . . 4741 3 91 . 1 1 20 20 LYS HE2 H 1 2.93 0.1 . 2 . . . . . . . . 4741 3 92 . 1 1 20 20 LYS HZ1 H 1 7.53 0.1 . 1 . . . . . . . . 4741 3 93 . 1 1 20 20 LYS HZ2 H 1 7.53 0.1 . 1 . . . . . . . . 4741 3 94 . 1 1 20 20 LYS HZ3 H 1 7.53 0.1 . 1 . . . . . . . . 4741 3 95 . 1 1 21 21 GLU H H 1 8.03 0.1 . 1 . . . . . . . . 4741 3 96 . 1 1 21 21 GLU HA H 1 4.16 0.1 . 1 . . . . . . . . 4741 3 97 . 1 1 21 21 GLU HB2 H 1 2.06 0.1 . 2 . . . . . . . . 4741 3 98 . 1 1 21 21 GLU HG2 H 1 2.48 0.1 . 2 . . . . . . . . 4741 3 99 . 1 1 21 21 GLU HG3 H 1 2.38 0.1 . 2 . . . . . . . . 4741 3 100 . 1 1 22 22 PHE H H 1 8.17 0.1 . 1 . . . . . . . . 4741 3 101 . 1 1 22 22 PHE HA H 1 4.09 0.1 . 1 . . . . . . . . 4741 3 102 . 1 1 22 22 PHE HB2 H 1 2.89 0.1 . 2 . . . . . . . . 4741 3 103 . 1 1 22 22 PHE HB3 H 1 3.04 0.1 . 2 . . . . . . . . 4741 3 104 . 1 1 23 23 ILE H H 1 8.06 0.1 . 1 . . . . . . . . 4741 3 105 . 1 1 23 23 ILE HA H 1 3.56 0.1 . 1 . . . . . . . . 4741 3 106 . 1 1 23 23 ILE HB H 1 1.86 0.1 . 1 . . . . . . . . 4741 3 107 . 1 1 23 23 ILE HG12 H 1 1.24 0.1 . 2 . . . . . . . . 4741 3 108 . 1 1 23 23 ILE HG13 H 1 1.45 0.1 . 2 . . . . . . . . 4741 3 109 . 1 1 23 23 ILE HG21 H 1 0.81 0.1 . 1 . . . . . . . . 4741 3 110 . 1 1 23 23 ILE HG22 H 1 0.81 0.1 . 1 . . . . . . . . 4741 3 111 . 1 1 23 23 ILE HG23 H 1 0.81 0.1 . 1 . . . . . . . . 4741 3 112 . 1 1 24 24 ALA H H 1 7.74 0.1 . 1 . . . . . . . . 4741 3 113 . 1 1 24 24 ALA HA H 1 4.03 0.1 . 1 . . . . . . . . 4741 3 114 . 1 1 24 24 ALA HB1 H 1 1.43 0.1 . 1 . . . . . . . . 4741 3 115 . 1 1 24 24 ALA HB2 H 1 1.43 0.1 . 1 . . . . . . . . 4741 3 116 . 1 1 24 24 ALA HB3 H 1 1.43 0.1 . 1 . . . . . . . . 4741 3 117 . 1 1 25 25 TRP H H 1 7.89 0.1 . 1 . . . . . . . . 4741 3 118 . 1 1 25 25 TRP HA H 1 4.17 0.1 . 1 . . . . . . . . 4741 3 119 . 1 1 25 25 TRP HB2 H 1 3.21 0.1 . 2 . . . . . . . . 4741 3 120 . 1 1 25 25 TRP HB3 H 1 3.41 0.1 . 2 . . . . . . . . 4741 3 121 . 1 1 25 25 TRP HE1 H 1 9.84 0.1 . 2 . . . . . . . . 4741 3 122 . 1 1 25 25 TRP HE3 H 1 7.00 0.1 . 3 . . . . . . . . 4741 3 123 . 1 1 26 26 LEU H H 1 8.10 0.1 . 1 . . . . . . . . 4741 3 124 . 1 1 26 26 LEU HA H 1 3.60 0.1 . 1 . . . . . . . . 4741 3 125 . 1 1 26 26 LEU HB2 H 1 1.35 0.1 . 2 . . . . . . . . 4741 3 126 . 1 1 26 26 LEU HB3 H 1 1.54 0.1 . 2 . . . . . . . . 4741 3 127 . 1 1 26 26 LEU HD11 H 1 0.65 0.1 . 2 . . . . . . . . 4741 3 128 . 1 1 26 26 LEU HD12 H 1 0.65 0.1 . 2 . . . . . . . . 4741 3 129 . 1 1 26 26 LEU HD13 H 1 0.65 0.1 . 2 . . . . . . . . 4741 3 130 . 1 1 26 26 LEU HD21 H 1 0.68 0.1 . 2 . . . . . . . . 4741 3 131 . 1 1 26 26 LEU HD22 H 1 0.68 0.1 . 2 . . . . . . . . 4741 3 132 . 1 1 26 26 LEU HD23 H 1 0.68 0.1 . 2 . . . . . . . . 4741 3 133 . 1 1 27 27 VAL H H 1 8.00 0.1 . 1 . . . . . . . . 4741 3 134 . 1 1 27 27 VAL HA H 1 3.75 0.1 . 1 . . . . . . . . 4741 3 135 . 1 1 27 27 VAL HB H 1 2.08 0.1 . 1 . . . . . . . . 4741 3 136 . 1 1 27 27 VAL HG11 H 1 0.86 0.1 . 2 . . . . . . . . 4741 3 137 . 1 1 27 27 VAL HG12 H 1 0.86 0.1 . 2 . . . . . . . . 4741 3 138 . 1 1 27 27 VAL HG13 H 1 0.86 0.1 . 2 . . . . . . . . 4741 3 139 . 1 1 27 27 VAL HG21 H 1 0.93 0.1 . 2 . . . . . . . . 4741 3 140 . 1 1 27 27 VAL HG22 H 1 0.93 0.1 . 2 . . . . . . . . 4741 3 141 . 1 1 27 27 VAL HG23 H 1 0.93 0.1 . 2 . . . . . . . . 4741 3 142 . 1 1 28 28 LYS H H 1 7.80 0.1 . 1 . . . . . . . . 4741 3 143 . 1 1 28 28 LYS HA H 1 4.14 0.1 . 1 . . . . . . . . 4741 3 144 . 1 1 28 28 LYS HB2 H 1 1.79 0.1 . 2 . . . . . . . . 4741 3 145 . 1 1 28 28 LYS HG2 H 1 1.37 0.1 . 4 . . . . . . . . 4741 3 146 . 1 1 28 28 LYS HG3 H 1 1.41 0.1 . 4 . . . . . . . . 4741 3 147 . 1 1 28 28 LYS HD2 H 1 1.61 0.1 . 4 . . . . . . . . 4741 3 148 . 1 1 28 28 LYS HE2 H 1 2.91 0.1 . 2 . . . . . . . . 4741 3 149 . 1 1 28 28 LYS HZ1 H 1 7.47 0.1 . 1 . . . . . . . . 4741 3 150 . 1 1 28 28 LYS HZ2 H 1 7.47 0.1 . 1 . . . . . . . . 4741 3 151 . 1 1 28 28 LYS HZ3 H 1 7.47 0.1 . 1 . . . . . . . . 4741 3 152 . 1 1 29 29 GLY H H 1 7.94 0.1 . 1 . . . . . . . . 4741 3 153 . 1 1 29 29 GLY HA2 H 1 3.69 0.1 . 2 . . . . . . . . 4741 3 154 . 1 1 29 29 GLY HA3 H 1 3.79 0.1 . 1 . . . . . . . . 4741 3 155 . 1 1 30 30 ARG H H 1 7.77 0.1 . 1 . . . . . . . . 4741 3 156 . 1 1 30 30 ARG HA H 1 4.09 0.1 . 1 . . . . . . . . 4741 3 157 . 1 1 30 30 ARG HB2 H 1 1.62 0.1 . 2 . . . . . . . . 4741 3 158 . 1 1 30 30 ARG HB3 H 1 1.75 0.1 . 2 . . . . . . . . 4741 3 159 . 1 1 30 30 ARG HG2 H 1 1.48 0.1 . 4 . . . . . . . . 4741 3 160 . 1 1 30 30 ARG HD2 H 1 3.02 0.1 . 2 . . . . . . . . 4741 3 161 . 1 1 30 30 ARG HH11 H 1 7.08 0.1 . 4 . . . . . . . . 4741 3 stop_ save_ save_chemical_shift_assignment_sample4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_sample4 _Assigned_chem_shift_list.Entry_ID 4741 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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 . . 4 $sample_4 . 4741 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 . 1 1 1 1 HIS HA H 1 4.32 0.1 . 1 . . . . . . . . 4741 4 2 . 1 1 1 1 HIS HD1 H 1 8.68 0.1 . 1 . . . . . . . . 4741 4 3 . 1 1 1 1 HIS HE1 H 1 7.44 0.1 . 2 . . . . . . . . 4741 4 4 . 1 1 2 2 ALA H H 1 8.80 0.1 . 1 . . . . . . . . 4741 4 5 . 1 1 2 2 ALA HA H 1 4.41 0.1 . 1 . . . . . . . . 4741 4 6 . 1 1 2 2 ALA HB1 H 1 1.41 0.1 . 1 . . . . . . . . 4741 4 7 . 1 1 2 2 ALA HB2 H 1 1.41 0.1 . 1 . . . . . . . . 4741 4 8 . 1 1 2 2 ALA HB3 H 1 1.41 0.1 . 1 . . . . . . . . 4741 4 9 . 1 1 3 3 GLU H H 1 8.58 0.1 . 1 . . . . . . . . 4741 4 10 . 1 1 3 3 GLU HA H 1 4.47 0.1 . 1 . . . . . . . . 4741 4 11 . 1 1 3 3 GLU HB2 H 1 2.01 0.1 . 2 . . . . . . . . 4741 4 12 . 1 1 3 3 GLU HB3 H 1 2.16 0.1 . 2 . . . . . . . . 4741 4 13 . 1 1 3 3 GLU HG2 H 1 2.51 0.1 . 2 . . . . . . . . 4741 4 14 . 1 1 4 4 GLY H H 1 8.41 0.1 . 1 . . . . . . . . 4741 4 15 . 1 1 4 4 GLY HA2 H 1 3.98 0.1 . 2 . . . . . . . . 4741 4 16 . 1 1 5 5 THR H H 1 7.95 0.1 . 1 . . . . . . . . 4741 4 17 . 1 1 5 5 THR HA H 1 4.32 0.1 . 1 . . . . . . . . 4741 4 18 . 1 1 5 5 THR HB H 1 4.16 0.1 . 1 . . . . . . . . 4741 4 19 . 1 1 5 5 THR HG21 H 1 1.13 0.1 . 1 . . . . . . . . 4741 4 20 . 1 1 5 5 THR HG22 H 1 1.13 0.1 . 1 . . . . . . . . 4741 4 21 . 1 1 5 5 THR HG23 H 1 1.13 0.1 . 1 . . . . . . . . 4741 4 22 . 1 1 6 6 PHE H H 1 8.32 0.1 . 1 . . . . . . . . 4741 4 23 . 1 1 6 6 PHE HA H 1 4.63 0.1 . 1 . . . . . . . . 4741 4 24 . 1 1 6 6 PHE HB2 H 1 3.06 0.1 . 2 . . . . . . . . 4741 4 25 . 1 1 6 6 PHE HB3 H 1 3.14 0.1 . 2 . . . . . . . . 4741 4 26 . 1 1 7 7 THR H H 1 7.95 0.1 . 1 . . . . . . . . 4741 4 27 . 1 1 7 7 THR HA H 1 4.20 0.1 . 1 . . . . . . . . 4741 4 28 . 1 1 7 7 THR HB H 1 4.20 0.1 . 1 . . . . . . . . 4741 4 29 . 1 1 7 7 THR HG21 H 1 1.18 0.1 . 1 . . . . . . . . 4741 4 30 . 1 1 7 7 THR HG22 H 1 1.18 0.1 . 1 . . . . . . . . 4741 4 31 . 1 1 7 7 THR HG23 H 1 1.18 0.1 . 1 . . . . . . . . 4741 4 32 . 1 1 8 8 SER H H 1 8.13 0.1 . 1 . . . . . . . . 4741 4 33 . 1 1 8 8 SER HA H 1 4.39 0.1 . 1 . . . . . . . . 4741 4 34 . 1 1 8 8 SER HB2 H 1 3.87 0.1 . 2 . . . . . . . . 4741 4 35 . 1 1 8 8 SER HB3 H 1 3.93 0.1 . 2 . . . . . . . . 4741 4 36 . 1 1 9 9 ASP H H 1 8.38 0.1 . 1 . . . . . . . . 4741 4 37 . 1 1 9 9 ASP HA H 1 4.69 0.1 . 1 . . . . . . . . 4741 4 38 . 1 1 9 9 ASP HB2 H 1 2.91 0.1 . 2 . . . . . . . . 4741 4 39 . 1 1 10 10 VAL H H 1 8.00 0.1 . 1 . . . . . . . . 4741 4 40 . 1 1 10 10 VAL HA H 1 3.93 0.1 . 1 . . . . . . . . 4741 4 41 . 1 1 10 10 VAL HB H 1 2.06 0.1 . 1 . . . . . . . . 4741 4 42 . 1 1 10 10 VAL HG11 H 1 0.90 0.1 . 2 . . . . . . . . 4741 4 43 . 1 1 10 10 VAL HG12 H 1 0.90 0.1 . 2 . . . . . . . . 4741 4 44 . 1 1 10 10 VAL HG13 H 1 0.90 0.1 . 2 . . . . . . . . 4741 4 45 . 1 1 11 11 SER H H 1 8.14 0.1 . 1 . . . . . . . . 4741 4 46 . 1 1 11 11 SER HA H 1 4.24 0.1 . 1 . . . . . . . . 4741 4 47 . 1 1 11 11 SER HB2 H 1 3.89 0.1 . 2 . . . . . . . . 4741 4 48 . 1 1 11 11 SER HB3 H 1 3.96 0.1 . 2 . . . . . . . . 4741 4 49 . 1 1 12 12 SER H H 1 8.07 0.1 . 1 . . . . . . . . 4741 4 50 . 1 1 12 12 SER HA H 1 4.28 0.1 . 1 . . . . . . . . 4741 4 51 . 1 1 12 12 SER HB2 H 1 3.87 0.1 . 2 . . . . . . . . 4741 4 52 . 1 1 12 12 SER HB3 H 1 3.92 0.1 . 2 . . . . . . . . 4741 4 53 . 1 1 13 13 TYR H H 1 7.94 0.1 . 1 . . . . . . . . 4741 4 54 . 1 1 13 13 TYR HA H 1 4.36 0.1 . 1 . . . . . . . . 4741 4 55 . 1 1 13 13 TYR HB2 H 1 3.09 0.1 . 2 . . . . . . . . 4741 4 56 . 1 1 13 13 TYR HD1 H 1 7.05 0.1 . 3 . . . . . . . . 4741 4 57 . 1 1 13 13 TYR HE1 H 1 6.77 0.1 . 3 . . . . . . . . 4741 4 58 . 1 1 14 14 LEU H H 1 8.15 0.1 . 1 . . . . . . . . 4741 4 59 . 1 1 14 14 LEU HA H 1 4.01 0.1 . 1 . . . . . . . . 4741 4 60 . 1 1 14 14 LEU HB2 H 1 1.25 0.1 . 2 . . . . . . . . 4741 4 61 . 1 1 14 14 LEU HB3 H 1 1.50 0.1 . 2 . . . . . . . . 4741 4 62 . 1 1 14 14 LEU HD11 H 1 0.76 0.1 . 2 . . . . . . . . 4741 4 63 . 1 1 14 14 LEU HD12 H 1 0.76 0.1 . 2 . . . . . . . . 4741 4 64 . 1 1 14 14 LEU HD13 H 1 0.76 0.1 . 2 . . . . . . . . 4741 4 65 . 1 1 14 14 LEU HD21 H 1 0.74 0.1 . 2 . . . . . . . . 4741 4 66 . 1 1 14 14 LEU HD22 H 1 0.74 0.1 . 2 . . . . . . . . 4741 4 67 . 1 1 14 14 LEU HD23 H 1 0.74 0.1 . 2 . . . . . . . . 4741 4 68 . 1 1 15 15 GLU H H 1 8.12 0.1 . 1 . . . . . . . . 4741 4 69 . 1 1 15 15 GLU HA H 1 4.12 0.1 . 1 . . . . . . . . 4741 4 70 . 1 1 15 15 GLU HB2 H 1 2.10 0.1 . 2 . . . . . . . . 4741 4 71 . 1 1 15 15 GLU HG2 H 1 2.53 0.1 . 2 . . . . . . . . 4741 4 72 . 1 1 15 15 GLU HG3 H 1 2.41 0.1 . 2 . . . . . . . . 4741 4 73 . 1 1 16 16 GLY H H 1 8.07 0.1 . 1 . . . . . . . . 4741 4 74 . 1 1 16 16 GLY HA2 H 1 3.91 0.1 . 2 . . . . . . . . 4741 4 75 . 1 1 17 17 GLN H H 1 8.10 0.1 . 1 . . . . . . . . 4741 4 76 . 1 1 17 17 GLN HA H 1 4.07 0.1 . 1 . . . . . . . . 4741 4 77 . 1 1 17 17 GLN HB2 H 1 2.05 0.1 . 2 . . . . . . . . 4741 4 78 . 1 1 17 17 GLN HG2 H 1 2.21 0.1 . 2 . . . . . . . . 4741 4 79 . 1 1 18 18 ALA H H 1 8.20 0.1 . 1 . . . . . . . . 4741 4 80 . 1 1 18 18 ALA HA H 1 4.14 0.1 . 1 . . . . . . . . 4741 4 81 . 1 1 18 18 ALA HB1 H 1 1.49 0.1 . 1 . . . . . . . . 4741 4 82 . 1 1 18 18 ALA HB2 H 1 1.49 0.1 . 1 . . . . . . . . 4741 4 83 . 1 1 18 18 ALA HB3 H 1 1.49 0.1 . 1 . . . . . . . . 4741 4 84 . 1 1 19 19 ALA H H 1 7.94 0.1 . 1 . . . . . . . . 4741 4 85 . 1 1 19 19 ALA HA H 1 4.08 0.1 . 1 . . . . . . . . 4741 4 86 . 1 1 19 19 ALA HB1 H 1 1.44 0.1 . 1 . . . . . . . . 4741 4 87 . 1 1 19 19 ALA HB2 H 1 1.44 0.1 . 1 . . . . . . . . 4741 4 88 . 1 1 19 19 ALA HB3 H 1 1.44 0.1 . 1 . . . . . . . . 4741 4 89 . 1 1 20 20 LYS H H 1 7.74 0.1 . 1 . . . . . . . . 4741 4 90 . 1 1 20 20 LYS HA H 1 3.96 0.1 . 1 . . . . . . . . 4741 4 91 . 1 1 20 20 LYS HB2 H 1 1.90 0.1 . 2 . . . . . . . . 4741 4 92 . 1 1 20 20 LYS HG2 H 1 1.40 0.1 . 4 . . . . . . . . 4741 4 93 . 1 1 20 20 LYS HD2 H 1 1.65 0.1 . 4 . . . . . . . . 4741 4 94 . 1 1 20 20 LYS HE2 H 1 2.94 0.1 . 2 . . . . . . . . 4741 4 95 . 1 1 20 20 LYS HZ1 H 1 7.56 0.1 . 1 . . . . . . . . 4741 4 96 . 1 1 20 20 LYS HZ2 H 1 7.56 0.1 . 1 . . . . . . . . 4741 4 97 . 1 1 20 20 LYS HZ3 H 1 7.56 0.1 . 1 . . . . . . . . 4741 4 98 . 1 1 21 21 GLU H H 1 8.02 0.1 . 1 . . . . . . . . 4741 4 99 . 1 1 21 21 GLU HA H 1 4.13 0.1 . 1 . . . . . . . . 4741 4 100 . 1 1 21 21 GLU HB2 H 1 2.26 0.1 . 2 . . . . . . . . 4741 4 101 . 1 1 21 21 GLU HG2 H 1 2.50 0.1 . 2 . . . . . . . . 4741 4 102 . 1 1 21 21 GLU HG3 H 1 2.62 0.1 . 2 . . . . . . . . 4741 4 103 . 1 1 22 22 PHE H H 1 8.22 0.1 . 1 . . . . . . . . 4741 4 104 . 1 1 22 22 PHE HA H 1 4.11 0.1 . 1 . . . . . . . . 4741 4 105 . 1 1 22 22 PHE HB2 H 1 2.98 0.1 . 2 . . . . . . . . 4741 4 106 . 1 1 22 22 PHE HB3 H 1 3.11 0.1 . 2 . . . . . . . . 4741 4 107 . 1 1 23 23 ILE H H 1 8.23 0.1 . 1 . . . . . . . . 4741 4 108 . 1 1 23 23 ILE HA H 1 3.55 0.1 . 1 . . . . . . . . 4741 4 109 . 1 1 23 23 ILE HB H 1 1.92 0.1 . 1 . . . . . . . . 4741 4 110 . 1 1 23 23 ILE HG12 H 1 1.30 0.1 . 2 . . . . . . . . 4741 4 111 . 1 1 23 23 ILE HG13 H 1 1.48 0.1 . 2 . . . . . . . . 4741 4 112 . 1 1 23 23 ILE HG21 H 1 0.82 0.1 . 1 . . . . . . . . 4741 4 113 . 1 1 23 23 ILE HG22 H 1 0.82 0.1 . 1 . . . . . . . . 4741 4 114 . 1 1 23 23 ILE HG23 H 1 0.82 0.1 . 1 . . . . . . . . 4741 4 115 . 1 1 23 23 ILE HD11 H 1 0.86 0.1 . 1 . . . . . . . . 4741 4 116 . 1 1 23 23 ILE HD12 H 1 0.86 0.1 . 1 . . . . . . . . 4741 4 117 . 1 1 23 23 ILE HD13 H 1 0.86 0.1 . 1 . . . . . . . . 4741 4 118 . 1 1 24 24 ALA H H 1 7.79 0.1 . 1 . . . . . . . . 4741 4 119 . 1 1 24 24 ALA HA H 1 4.00 0.1 . 1 . . . . . . . . 4741 4 120 . 1 1 24 24 ALA HB1 H 1 1.48 0.1 . 1 . . . . . . . . 4741 4 121 . 1 1 24 24 ALA HB2 H 1 1.48 0.1 . 1 . . . . . . . . 4741 4 122 . 1 1 24 24 ALA HB3 H 1 1.48 0.1 . 1 . . . . . . . . 4741 4 123 . 1 1 25 25 TRP H H 1 7.98 0.1 . 1 . . . . . . . . 4741 4 124 . 1 1 25 25 TRP HA H 1 4.12 0.1 . 1 . . . . . . . . 4741 4 125 . 1 1 25 25 TRP HB2 H 1 3.24 0.1 . 2 . . . . . . . . 4741 4 126 . 1 1 25 25 TRP HB3 H 1 3.49 0.1 . 2 . . . . . . . . 4741 4 127 . 1 1 25 25 TRP HE1 H 1 9.79 0.1 . 2 . . . . . . . . 4741 4 128 . 1 1 25 25 TRP HE3 H 1 7.02 0.1 . 3 . . . . . . . . 4741 4 129 . 1 1 26 26 LEU H H 1 8.26 0.1 . 1 . . . . . . . . 4741 4 130 . 1 1 26 26 LEU HA H 1 3.54 0.1 . 1 . . . . . . . . 4741 4 131 . 1 1 26 26 LEU HB2 H 1 1.38 0.1 . 2 . . . . . . . . 4741 4 132 . 1 1 26 26 LEU HB3 H 1 1.62 0.1 . 2 . . . . . . . . 4741 4 133 . 1 1 26 26 LEU HD11 H 1 0.66 0.1 . 2 . . . . . . . . 4741 4 134 . 1 1 26 26 LEU HD12 H 1 0.66 0.1 . 2 . . . . . . . . 4741 4 135 . 1 1 26 26 LEU HD13 H 1 0.66 0.1 . 2 . . . . . . . . 4741 4 136 . 1 1 26 26 LEU HD21 H 1 0.70 0.1 . 2 . . . . . . . . 4741 4 137 . 1 1 26 26 LEU HD22 H 1 0.70 0.1 . 2 . . . . . . . . 4741 4 138 . 1 1 26 26 LEU HD23 H 1 0.70 0.1 . 2 . . . . . . . . 4741 4 139 . 1 1 27 27 VAL H H 1 8.18 0.1 . 1 . . . . . . . . 4741 4 140 . 1 1 27 27 VAL HA H 1 3.72 0.1 . 1 . . . . . . . . 4741 4 141 . 1 1 27 27 VAL HB H 1 2.11 0.1 . 1 . . . . . . . . 4741 4 142 . 1 1 27 27 VAL HG11 H 1 0.88 0.1 . 2 . . . . . . . . 4741 4 143 . 1 1 27 27 VAL HG12 H 1 0.88 0.1 . 2 . . . . . . . . 4741 4 144 . 1 1 27 27 VAL HG13 H 1 0.88 0.1 . 2 . . . . . . . . 4741 4 145 . 1 1 27 27 VAL HG21 H 1 0.96 0.1 . 2 . . . . . . . . 4741 4 146 . 1 1 27 27 VAL HG22 H 1 0.96 0.1 . 2 . . . . . . . . 4741 4 147 . 1 1 27 27 VAL HG23 H 1 0.96 0.1 . 2 . . . . . . . . 4741 4 148 . 1 1 28 28 LYS H H 1 7.84 0.1 . 1 . . . . . . . . 4741 4 149 . 1 1 28 28 LYS HA H 1 4.15 0.1 . 1 . . . . . . . . 4741 4 150 . 1 1 28 28 LYS HB2 H 1 1.83 0.1 . 2 . . . . . . . . 4741 4 151 . 1 1 28 28 LYS HG2 H 1 1.40 0.1 . 4 . . . . . . . . 4741 4 152 . 1 1 28 28 LYS HG3 H 1 1.44 0.1 . 4 . . . . . . . . 4741 4 153 . 1 1 28 28 LYS HD2 H 1 1.63 0.1 . 4 . . . . . . . . 4741 4 154 . 1 1 28 28 LYS HE2 H 1 2.92 0.1 . 2 . . . . . . . . 4741 4 155 . 1 1 28 28 LYS HZ1 H 1 7.49 0.1 . 1 . . . . . . . . 4741 4 156 . 1 1 28 28 LYS HZ2 H 1 7.49 0.1 . 1 . . . . . . . . 4741 4 157 . 1 1 28 28 LYS HZ3 H 1 7.49 0.1 . 1 . . . . . . . . 4741 4 158 . 1 1 29 29 GLY H H 1 7.91 0.1 . 1 . . . . . . . . 4741 4 159 . 1 1 29 29 GLY HA2 H 1 3.66 0.1 . 2 . . . . . . . . 4741 4 160 . 1 1 29 29 GLY HA3 H 1 3.81 0.1 . 1 . . . . . . . . 4741 4 161 . 1 1 30 30 ARG H H 1 7.71 0.1 . 1 . . . . . . . . 4741 4 162 . 1 1 30 30 ARG HA H 1 4.07 0.1 . 1 . . . . . . . . 4741 4 163 . 1 1 30 30 ARG HB2 H 1 1.65 0.1 . 2 . . . . . . . . 4741 4 164 . 1 1 30 30 ARG HB3 H 1 1.74 0.1 . 2 . . . . . . . . 4741 4 165 . 1 1 30 30 ARG HG2 H 1 1.52 0.1 . 4 . . . . . . . . 4741 4 166 . 1 1 30 30 ARG HD2 H 1 3.02 0.1 . 2 . . . . . . . . 4741 4 167 . 1 1 30 30 ARG HH11 H 1 7.09 0.1 . 4 . . . . . . . . 4741 4 stop_ save_ save_chemical_shift_assignment_sample5 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_sample5 _Assigned_chem_shift_list.Entry_ID 4741 _Assigned_chem_shift_list.ID 5 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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 . . 5 $sample_5 . 4741 5 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 HIS HA H 1 4.32 0.1 . 1 . . . . . . . . 4741 5 2 . 1 1 1 1 HIS HD1 H 1 8.68 0.1 . 1 . . . . . . . . 4741 5 3 . 1 1 1 1 HIS HE1 H 1 7.45 0.1 . 2 . . . . . . . . 4741 5 4 . 1 1 2 2 ALA H H 1 8.80 0.1 . 1 . . . . . . . . 4741 5 5 . 1 1 2 2 ALA HA H 1 4.43 0.1 . 1 . . . . . . . . 4741 5 6 . 1 1 2 2 ALA HB1 H 1 1.43 0.1 . 1 . . . . . . . . 4741 5 7 . 1 1 2 2 ALA HB2 H 1 1.43 0.1 . 1 . . . . . . . . 4741 5 8 . 1 1 2 2 ALA HB3 H 1 1.43 0.1 . 1 . . . . . . . . 4741 5 9 . 1 1 3 3 GLU H H 1 8.55 0.1 . 1 . . . . . . . . 4741 5 10 . 1 1 3 3 GLU HA H 1 4.50 0.1 . 1 . . . . . . . . 4741 5 11 . 1 1 3 3 GLU HB2 H 1 2.02 0.1 . 2 . . . . . . . . 4741 5 12 . 1 1 3 3 GLU HB3 H 1 2.18 0.1 . 2 . . . . . . . . 4741 5 13 . 1 1 3 3 GLU HG2 H 1 2.52 0.1 . 2 . . . . . . . . 4741 5 14 . 1 1 4 4 GLY H H 1 8.39 0.1 . 1 . . . . . . . . 4741 5 15 . 1 1 4 4 GLY HA2 H 1 4.00 0.1 . 2 . . . . . . . . 4741 5 16 . 1 1 5 5 THR H H 1 7.95 0.1 . 1 . . . . . . . . 4741 5 17 . 1 1 5 5 THR HA H 1 4.34 0.1 . 1 . . . . . . . . 4741 5 18 . 1 1 5 5 THR HB H 1 4.21 0.1 . 1 . . . . . . . . 4741 5 19 . 1 1 5 5 THR HG21 H 1 1.17 0.1 . 1 . . . . . . . . 4741 5 20 . 1 1 5 5 THR HG22 H 1 1.17 0.1 . 1 . . . . . . . . 4741 5 21 . 1 1 5 5 THR HG23 H 1 1.17 0.1 . 1 . . . . . . . . 4741 5 22 . 1 1 6 6 PHE H H 1 8.34 0.1 . 1 . . . . . . . . 4741 5 23 . 1 1 6 6 PHE HA H 1 4.60 0.1 . 1 . . . . . . . . 4741 5 24 . 1 1 6 6 PHE HB2 H 1 3.16 0.1 . 2 . . . . . . . . 4741 5 25 . 1 1 6 6 PHE HB3 H 1 3.13 0.1 . 2 . . . . . . . . 4741 5 26 . 1 1 7 7 THR H H 1 7.94 0.1 . 1 . . . . . . . . 4741 5 27 . 1 1 7 7 THR HA H 1 4.13 0.1 . 1 . . . . . . . . 4741 5 28 . 1 1 7 7 THR HB H 1 4.21 0.1 . 1 . . . . . . . . 4741 5 29 . 1 1 7 7 THR HG21 H 1 1.22 0.1 . 1 . . . . . . . . 4741 5 30 . 1 1 7 7 THR HG22 H 1 1.22 0.1 . 1 . . . . . . . . 4741 5 31 . 1 1 7 7 THR HG23 H 1 1.22 0.1 . 1 . . . . . . . . 4741 5 32 . 1 1 8 8 SER H H 1 8.10 0.1 . 1 . . . . . . . . 4741 5 33 . 1 1 8 8 SER HA H 1 4.38 0.1 . 1 . . . . . . . . 4741 5 34 . 1 1 8 8 SER HB2 H 1 3.97 0.1 . 2 . . . . . . . . 4741 5 35 . 1 1 8 8 SER HB3 H 1 3.90 0.1 . 2 . . . . . . . . 4741 5 36 . 1 1 9 9 ASP H H 1 8.36 0.1 . 1 . . . . . . . . 4741 5 37 . 1 1 9 9 ASP HA H 1 4.65 0.1 . 1 . . . . . . . . 4741 5 38 . 1 1 9 9 ASP HB2 H 1 2.91 0.1 . 2 . . . . . . . . 4741 5 39 . 1 1 9 9 ASP HB3 H 1 2.96 0.1 . 2 . . . . . . . . 4741 5 40 . 1 1 10 10 VAL H H 1 8.03 0.1 . 1 . . . . . . . . 4741 5 41 . 1 1 10 10 VAL HA H 1 3.86 0.1 . 1 . . . . . . . . 4741 5 42 . 1 1 10 10 VAL HB H 1 2.03 0.1 . 1 . . . . . . . . 4741 5 43 . 1 1 10 10 VAL HG11 H 1 0.92 0.1 . 2 . . . . . . . . 4741 5 44 . 1 1 10 10 VAL HG12 H 1 0.92 0.1 . 2 . . . . . . . . 4741 5 45 . 1 1 10 10 VAL HG13 H 1 0.92 0.1 . 2 . . . . . . . . 4741 5 46 . 1 1 10 10 VAL HG21 H 1 0.87 0.1 . 2 . . . . . . . . 4741 5 47 . 1 1 10 10 VAL HG22 H 1 0.87 0.1 . 2 . . . . . . . . 4741 5 48 . 1 1 10 10 VAL HG23 H 1 0.87 0.1 . 2 . . . . . . . . 4741 5 49 . 1 1 11 11 SER H H 1 8.12 0.1 . 1 . . . . . . . . 4741 5 50 . 1 1 11 11 SER HA H 1 4.18 0.1 . 1 . . . . . . . . 4741 5 51 . 1 1 11 11 SER HB2 H 1 3.93 0.1 . 2 . . . . . . . . 4741 5 52 . 1 1 11 11 SER HB3 H 1 3.98 0.1 . 2 . . . . . . . . 4741 5 53 . 1 1 12 12 SER H H 1 8.01 0.1 . 1 . . . . . . . . 4741 5 54 . 1 1 12 12 SER HA H 1 4.27 0.1 . 1 . . . . . . . . 4741 5 55 . 1 1 12 12 SER HB2 H 1 3.93 0.1 . 2 . . . . . . . . 4741 5 56 . 1 1 12 12 SER HB3 H 1 3.98 0.1 . 2 . . . . . . . . 4741 5 57 . 1 1 13 13 TYR H H 1 7.95 0.1 . 1 . . . . . . . . 4741 5 58 . 1 1 13 13 TYR HA H 1 4.33 0.1 . 1 . . . . . . . . 4741 5 59 . 1 1 13 13 TYR HB2 H 1 3.17 0.1 . 2 . . . . . . . . 4741 5 60 . 1 1 13 13 TYR HD1 H 1 7.07 0.1 . 3 . . . . . . . . 4741 5 61 . 1 1 13 13 TYR HE1 H 1 6.78 0.1 . 3 . . . . . . . . 4741 5 62 . 1 1 14 14 LEU H H 1 8.36 0.1 . 1 . . . . . . . . 4741 5 63 . 1 1 14 14 LEU HA H 1 4.00 0.1 . 1 . . . . . . . . 4741 5 64 . 1 1 14 14 LEU HB2 H 1 1.89 0.1 . 2 . . . . . . . . 4741 5 65 . 1 1 14 14 LEU HB3 H 1 1.50 0.1 . 2 . . . . . . . . 4741 5 66 . 1 1 15 15 GLU H H 1 8.27 0.1 . 1 . . . . . . . . 4741 5 67 . 1 1 15 15 GLU HA H 1 4.08 0.1 . 1 . . . . . . . . 4741 5 68 . 1 1 15 15 GLU HB2 H 1 2.15 0.1 . 2 . . . . . . . . 4741 5 69 . 1 1 15 15 GLU HG2 H 1 2.44 0.1 . 2 . . . . . . . . 4741 5 70 . 1 1 15 15 GLU HG3 H 1 2.60 0.1 . 2 . . . . . . . . 4741 5 71 . 1 1 16 16 GLY H H 1 8.02 0.1 . 1 . . . . . . . . 4741 5 72 . 1 1 16 16 GLY HA2 H 1 3.91 0.1 . 2 . . . . . . . . 4741 5 73 . 1 1 17 17 GLN H H 1 7.98 0.1 . 1 . . . . . . . . 4741 5 74 . 1 1 17 17 GLN HA H 1 4.05 0.1 . 1 . . . . . . . . 4741 5 75 . 1 1 17 17 GLN HB2 H 1 2.14 0.1 . 2 . . . . . . . . 4741 5 76 . 1 1 17 17 GLN HG2 H 1 2.14 0.1 . 2 . . . . . . . . 4741 5 77 . 1 1 18 18 ALA H H 1 8.18 0.1 . 1 . . . . . . . . 4741 5 78 . 1 1 18 18 ALA HA H 1 4.14 0.1 . 1 . . . . . . . . 4741 5 79 . 1 1 18 18 ALA HB1 H 1 1.48 0.1 . 1 . . . . . . . . 4741 5 80 . 1 1 18 18 ALA HB2 H 1 1.48 0.1 . 1 . . . . . . . . 4741 5 81 . 1 1 18 18 ALA HB3 H 1 1.48 0.1 . 1 . . . . . . . . 4741 5 82 . 1 1 19 19 ALA H H 1 8.02 0.1 . 1 . . . . . . . . 4741 5 83 . 1 1 19 19 ALA HA H 1 4.14 0.1 . 1 . . . . . . . . 4741 5 84 . 1 1 19 19 ALA HB1 H 1 1.51 0.1 . 1 . . . . . . . . 4741 5 85 . 1 1 19 19 ALA HB2 H 1 1.51 0.1 . 1 . . . . . . . . 4741 5 86 . 1 1 19 19 ALA HB3 H 1 1.51 0.1 . 1 . . . . . . . . 4741 5 87 . 1 1 20 20 LYS H H 1 7.75 0.1 . 1 . . . . . . . . 4741 5 88 . 1 1 20 20 LYS HA H 1 3.96 0.1 . 1 . . . . . . . . 4741 5 89 . 1 1 20 20 LYS HB2 H 1 1.93 0.1 . 2 . . . . . . . . 4741 5 90 . 1 1 20 20 LYS HG2 H 1 1.43 0.1 . 4 . . . . . . . . 4741 5 91 . 1 1 20 20 LYS HD2 H 1 1.68 0.1 . 4 . . . . . . . . 4741 5 92 . 1 1 20 20 LYS HE2 H 1 2.94 0.1 . 2 . . . . . . . . 4741 5 93 . 1 1 20 20 LYS HZ1 H 1 7.56 0.1 . 1 . . . . . . . . 4741 5 94 . 1 1 20 20 LYS HZ2 H 1 7.56 0.1 . 1 . . . . . . . . 4741 5 95 . 1 1 20 20 LYS HZ3 H 1 7.56 0.1 . 1 . . . . . . . . 4741 5 96 . 1 1 21 21 GLU H H 1 7.98 0.1 . 1 . . . . . . . . 4741 5 97 . 1 1 21 21 GLU HA H 1 4.10 0.1 . 1 . . . . . . . . 4741 5 98 . 1 1 21 21 GLU HB2 H 1 2.23 0.1 . 2 . . . . . . . . 4741 5 99 . 1 1 21 21 GLU HG2 H 1 2.47 0.1 . 2 . . . . . . . . 4741 5 100 . 1 1 21 21 GLU HG3 H 1 2.60 0.1 . 2 . . . . . . . . 4741 5 101 . 1 1 22 22 PHE H H 1 8.23 0.1 . 1 . . . . . . . . 4741 5 102 . 1 1 22 22 PHE HA H 1 4.33 0.1 . 1 . . . . . . . . 4741 5 103 . 1 1 22 22 PHE HB2 H 1 3.24 0.1 . 2 . . . . . . . . 4741 5 104 . 1 1 22 22 PHE HB3 H 1 3.18 0.1 . 2 . . . . . . . . 4741 5 105 . 1 1 23 23 ILE H H 1 8.40 0.1 . 1 . . . . . . . . 4741 5 106 . 1 1 23 23 ILE HA H 1 3.62 0.1 . 1 . . . . . . . . 4741 5 107 . 1 1 23 23 ILE HB H 1 1.96 0.1 . 1 . . . . . . . . 4741 5 108 . 1 1 23 23 ILE HG12 H 1 1.34 0.1 . 2 . . . . . . . . 4741 5 109 . 1 1 23 23 ILE HG21 H 1 0.90 0.1 . 1 . . . . . . . . 4741 5 110 . 1 1 23 23 ILE HG22 H 1 0.90 0.1 . 1 . . . . . . . . 4741 5 111 . 1 1 23 23 ILE HG23 H 1 0.90 0.1 . 1 . . . . . . . . 4741 5 112 . 1 1 23 23 ILE HD11 H 1 0.86 0.1 . 1 . . . . . . . . 4741 5 113 . 1 1 23 23 ILE HD12 H 1 0.86 0.1 . 1 . . . . . . . . 4741 5 114 . 1 1 23 23 ILE HD13 H 1 0.86 0.1 . 1 . . . . . . . . 4741 5 115 . 1 1 24 24 ALA H H 1 7.89 0.1 . 1 . . . . . . . . 4741 5 116 . 1 1 24 24 ALA HA H 1 3.99 0.1 . 1 . . . . . . . . 4741 5 117 . 1 1 24 24 ALA HB1 H 1 1.49 0.1 . 1 . . . . . . . . 4741 5 118 . 1 1 24 24 ALA HB2 H 1 1.49 0.1 . 1 . . . . . . . . 4741 5 119 . 1 1 24 24 ALA HB3 H 1 1.49 0.1 . 1 . . . . . . . . 4741 5 120 . 1 1 25 25 TRP H H 1 8.00 0.1 . 1 . . . . . . . . 4741 5 121 . 1 1 25 25 TRP HA H 1 4.17 0.1 . 1 . . . . . . . . 4741 5 122 . 1 1 25 25 TRP HB2 H 1 3.30 0.1 . 2 . . . . . . . . 4741 5 123 . 1 1 25 25 TRP HB3 H 1 3.55 0.1 . 2 . . . . . . . . 4741 5 124 . 1 1 25 25 TRP HE1 H 1 9.82 0.1 . 2 . . . . . . . . 4741 5 125 . 1 1 25 25 TRP HE3 H 1 7.13 0.1 . 3 . . . . . . . . 4741 5 126 . 1 1 26 26 LEU H H 1 8.35 0.1 . 1 . . . . . . . . 4741 5 127 . 1 1 26 26 LEU HA H 1 3.57 0.1 . 1 . . . . . . . . 4741 5 128 . 1 1 26 26 LEU HB2 H 1 1.46 0.1 . 2 . . . . . . . . 4741 5 129 . 1 1 26 26 LEU HB3 H 1 1.70 0.1 . 2 . . . . . . . . 4741 5 130 . 1 1 26 26 LEU HD11 H 1 0.73 0.1 . 2 . . . . . . . . 4741 5 131 . 1 1 26 26 LEU HD12 H 1 0.73 0.1 . 2 . . . . . . . . 4741 5 132 . 1 1 26 26 LEU HD13 H 1 0.73 0.1 . 2 . . . . . . . . 4741 5 133 . 1 1 26 26 LEU HD21 H 1 0.75 0.1 . 2 . . . . . . . . 4741 5 134 . 1 1 26 26 LEU HD22 H 1 0.75 0.1 . 2 . . . . . . . . 4741 5 135 . 1 1 26 26 LEU HD23 H 1 0.75 0.1 . 2 . . . . . . . . 4741 5 136 . 1 1 27 27 VAL H H 1 8.32 0.1 . 1 . . . . . . . . 4741 5 137 . 1 1 27 27 VAL HA H 1 3.71 0.1 . 1 . . . . . . . . 4741 5 138 . 1 1 27 27 VAL HB H 1 2.13 0.1 . 1 . . . . . . . . 4741 5 139 . 1 1 27 27 VAL HG11 H 1 0.89 0.1 . 2 . . . . . . . . 4741 5 140 . 1 1 27 27 VAL HG12 H 1 0.89 0.1 . 2 . . . . . . . . 4741 5 141 . 1 1 27 27 VAL HG13 H 1 0.89 0.1 . 2 . . . . . . . . 4741 5 142 . 1 1 27 27 VAL HG21 H 1 0.99 0.1 . 2 . . . . . . . . 4741 5 143 . 1 1 27 27 VAL HG22 H 1 0.99 0.1 . 2 . . . . . . . . 4741 5 144 . 1 1 27 27 VAL HG23 H 1 0.99 0.1 . 2 . . . . . . . . 4741 5 145 . 1 1 28 28 LYS H H 1 7.93 0.1 . 1 . . . . . . . . 4741 5 146 . 1 1 28 28 LYS HA H 1 4.15 0.1 . 1 . . . . . . . . 4741 5 147 . 1 1 28 28 LYS HB2 H 1 1.86 0.1 . 2 . . . . . . . . 4741 5 148 . 1 1 28 28 LYS HG2 H 1 1.41 0.1 . 4 . . . . . . . . 4741 5 149 . 1 1 28 28 LYS HG3 H 1 1.47 0.1 . 4 . . . . . . . . 4741 5 150 . 1 1 28 28 LYS HD2 H 1 1.64 0.1 . 4 . . . . . . . . 4741 5 151 . 1 1 28 28 LYS HE2 H 1 2.92 0.1 . 2 . . . . . . . . 4741 5 152 . 1 1 28 28 LYS HZ1 H 1 7.50 0.1 . 1 . . . . . . . . 4741 5 153 . 1 1 28 28 LYS HZ2 H 1 7.50 0.1 . 1 . . . . . . . . 4741 5 154 . 1 1 28 28 LYS HZ3 H 1 7.50 0.1 . 1 . . . . . . . . 4741 5 155 . 1 1 29 29 GLY H H 1 7.93 0.1 . 1 . . . . . . . . 4741 5 156 . 1 1 29 29 GLY HA2 H 1 3.84 0.1 . 2 . . . . . . . . 4741 5 157 . 1 1 29 29 GLY HA3 H 1 3.68 0.1 . 1 . . . . . . . . 4741 5 158 . 1 1 30 30 ARG H H 1 7.70 0.1 . 1 . . . . . . . . 4741 5 159 . 1 1 30 30 ARG HA H 1 4.08 0.1 . 1 . . . . . . . . 4741 5 160 . 1 1 30 30 ARG HB2 H 1 1.66 0.1 . 2 . . . . . . . . 4741 5 161 . 1 1 30 30 ARG HB3 H 1 1.75 0.1 . 2 . . . . . . . . 4741 5 162 . 1 1 30 30 ARG HG2 H 1 1.51 0.1 . 4 . . . . . . . . 4741 5 163 . 1 1 30 30 ARG HD2 H 1 3.03 0.1 . 2 . . . . . . . . 4741 5 164 . 1 1 30 30 ARG HH11 H 1 7.10 0.1 . 4 . . . . . . . . 4741 5 stop_ save_ save_chemical_shift_assignment_sample6 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_sample6 _Assigned_chem_shift_list.Entry_ID 4741 _Assigned_chem_shift_list.ID 6 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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 . . 6 $sample_6 . 4741 6 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 HIS HA H 1 4.34 0.1 . 1 . . . . . . . . 4741 6 2 . 1 1 1 1 HIS HD1 H 1 8.69 0.1 . 1 . . . . . . . . 4741 6 3 . 1 1 1 1 HIS HE1 H 1 7.47 0.1 . 2 . . . . . . . . 4741 6 4 . 1 1 2 2 ALA H H 1 8.81 0.1 . 1 . . . . . . . . 4741 6 5 . 1 1 2 2 ALA HA H 1 4.44 0.1 . 1 . . . . . . . . 4741 6 6 . 1 1 2 2 ALA HB1 H 1 1.45 0.1 . 1 . . . . . . . . 4741 6 7 . 1 1 2 2 ALA HB2 H 1 1.45 0.1 . 1 . . . . . . . . 4741 6 8 . 1 1 2 2 ALA HB3 H 1 1.45 0.1 . 1 . . . . . . . . 4741 6 9 . 1 1 3 3 GLU H H 1 8.55 0.1 . 1 . . . . . . . . 4741 6 10 . 1 1 3 3 GLU HA H 1 4.52 0.1 . 1 . . . . . . . . 4741 6 11 . 1 1 3 3 GLU HB2 H 1 2.04 0.1 . 2 . . . . . . . . 4741 6 12 . 1 1 3 3 GLU HB3 H 1 2.20 0.1 . 2 . . . . . . . . 4741 6 13 . 1 1 3 3 GLU HG2 H 1 2.54 0.1 . 2 . . . . . . . . 4741 6 14 . 1 1 4 4 GLY H H 1 8.39 0.1 . 1 . . . . . . . . 4741 6 15 . 1 1 4 4 GLY HA2 H 1 4.04 0.1 . 2 . . . . . . . . 4741 6 16 . 1 1 5 5 THR H H 1 7.97 0.1 . 1 . . . . . . . . 4741 6 17 . 1 1 5 5 THR HA H 1 4.36 0.1 . 1 . . . . . . . . 4741 6 18 . 1 1 5 5 THR HB H 1 4.26 0.1 . 1 . . . . . . . . 4741 6 19 . 1 1 5 5 THR HG21 H 1 1.20 0.1 . 1 . . . . . . . . 4741 6 20 . 1 1 5 5 THR HG22 H 1 1.20 0.1 . 1 . . . . . . . . 4741 6 21 . 1 1 5 5 THR HG23 H 1 1.20 0.1 . 1 . . . . . . . . 4741 6 22 . 1 1 6 6 PHE H H 1 8.37 0.1 . 1 . . . . . . . . 4741 6 23 . 1 1 6 6 PHE HA H 1 4.59 0.1 . 1 . . . . . . . . 4741 6 24 . 1 1 6 6 PHE HB2 H 1 3.16 0.1 . 2 . . . . . . . . 4741 6 25 . 1 1 6 6 PHE HB3 H 1 3.18 0.1 . 2 . . . . . . . . 4741 6 26 . 1 1 7 7 THR H H 1 7.94 0.1 . 1 . . . . . . . . 4741 6 27 . 1 1 7 7 THR HA H 1 4.10 0.1 . 1 . . . . . . . . 4741 6 28 . 1 1 7 7 THR HB H 1 4.24 0.1 . 1 . . . . . . . . 4741 6 29 . 1 1 7 7 THR HG21 H 1 1.24 0.1 . 1 . . . . . . . . 4741 6 30 . 1 1 7 7 THR HG22 H 1 1.24 0.1 . 1 . . . . . . . . 4741 6 31 . 1 1 7 7 THR HG23 H 1 1.24 0.1 . 1 . . . . . . . . 4741 6 32 . 1 1 8 8 SER H H 1 8.09 0.1 . 1 . . . . . . . . 4741 6 33 . 1 1 8 8 SER HA H 1 4.38 0.1 . 1 . . . . . . . . 4741 6 34 . 1 1 8 8 SER HB2 H 1 3.93 0.1 . 2 . . . . . . . . 4741 6 35 . 1 1 8 8 SER HB3 H 1 4.00 0.1 . 2 . . . . . . . . 4741 6 36 . 1 1 9 9 ASP H H 1 8.36 0.1 . 1 . . . . . . . . 4741 6 37 . 1 1 9 9 ASP HA H 1 4.63 0.1 . 1 . . . . . . . . 4741 6 38 . 1 1 9 9 ASP HB2 H 1 2.90 0.1 . 2 . . . . . . . . 4741 6 39 . 1 1 9 9 ASP HB3 H 1 3.01 0.1 . 2 . . . . . . . . 4741 6 40 . 1 1 10 10 VAL H H 1 8.07 0.1 . 1 . . . . . . . . 4741 6 41 . 1 1 10 10 VAL HA H 1 3.83 0.1 . 1 . . . . . . . . 4741 6 42 . 1 1 10 10 VAL HB H 1 2.03 0.1 . 1 . . . . . . . . 4741 6 43 . 1 1 10 10 VAL HG11 H 1 0.94 0.1 . 2 . . . . . . . . 4741 6 44 . 1 1 10 10 VAL HG12 H 1 0.94 0.1 . 2 . . . . . . . . 4741 6 45 . 1 1 10 10 VAL HG13 H 1 0.94 0.1 . 2 . . . . . . . . 4741 6 46 . 1 1 10 10 VAL HG21 H 1 0.87 0.1 . 2 . . . . . . . . 4741 6 47 . 1 1 10 10 VAL HG22 H 1 0.87 0.1 . 2 . . . . . . . . 4741 6 48 . 1 1 10 10 VAL HG23 H 1 0.87 0.1 . 2 . . . . . . . . 4741 6 49 . 1 1 11 11 SER H H 1 8.13 0.1 . 1 . . . . . . . . 4741 6 50 . 1 1 11 11 SER HA H 1 4.19 0.1 . 1 . . . . . . . . 4741 6 51 . 1 1 11 11 SER HB2 H 1 3.96 0.1 . 2 . . . . . . . . 4741 6 52 . 1 1 11 11 SER HB3 H 1 4.01 0.1 . 2 . . . . . . . . 4741 6 53 . 1 1 12 12 SER H H 1 8.00 0.1 . 1 . . . . . . . . 4741 6 54 . 1 1 12 12 SER HA H 1 4.28 0.1 . 1 . . . . . . . . 4741 6 55 . 1 1 12 12 SER HB2 H 1 3.97 0.1 . 2 . . . . . . . . 4741 6 56 . 1 1 12 12 SER HB3 H 1 4.02 0.1 . 2 . . . . . . . . 4741 6 57 . 1 1 13 13 TYR H H 1 7.98 0.1 . 1 . . . . . . . . 4741 6 58 . 1 1 13 13 TYR HA H 1 4.33 0.1 . 1 . . . . . . . . 4741 6 59 . 1 1 13 13 TYR HB2 H 1 3.21 0.1 . 2 . . . . . . . . 4741 6 60 . 1 1 13 13 TYR HD1 H 1 7.09 0.1 . 3 . . . . . . . . 4741 6 61 . 1 1 13 13 TYR HE1 H 1 6.80 0.1 . 3 . . . . . . . . 4741 6 62 . 1 1 14 14 LEU H H 1 8.47 0.1 . 1 . . . . . . . . 4741 6 63 . 1 1 14 14 LEU HA H 1 3.96 0.1 . 1 . . . . . . . . 4741 6 64 . 1 1 14 14 LEU HB2 H 1 1.95 0.1 . 2 . . . . . . . . 4741 6 65 . 1 1 14 14 LEU HB3 H 1 1.52 0.1 . 2 . . . . . . . . 4741 6 66 . 1 1 14 14 LEU HG H 1 0.92 0.1 . 1 . . . . . . . . 4741 6 67 . 1 1 15 15 GLU H H 1 8.36 0.1 . 1 . . . . . . . . 4741 6 68 . 1 1 15 15 GLU HA H 1 4.06 0.1 . 1 . . . . . . . . 4741 6 69 . 1 1 15 15 GLU HB2 H 1 2.21 0.1 . 2 . . . . . . . . 4741 6 70 . 1 1 15 15 GLU HG2 H 1 2.46 0.1 . 2 . . . . . . . . 4741 6 71 . 1 1 15 15 GLU HG3 H 1 2.65 0.1 . 2 . . . . . . . . 4741 6 72 . 1 1 16 16 GLY H H 1 8.02 0.1 . 1 . . . . . . . . 4741 6 73 . 1 1 16 16 GLY HA2 H 1 3.92 0.1 . 2 . . . . . . . . 4741 6 74 . 1 1 17 17 GLN H H 1 7.96 0.1 . 1 . . . . . . . . 4741 6 75 . 1 1 17 17 GLN HA H 1 4.06 0.1 . 1 . . . . . . . . 4741 6 76 . 1 1 17 17 GLN HB2 H 1 2.06 0.1 . 2 . . . . . . . . 4741 6 77 . 1 1 17 17 GLN HG2 H 1 2.16 0.1 . 2 . . . . . . . . 4741 6 78 . 1 1 18 18 ALA H H 1 8.19 0.1 . 1 . . . . . . . . 4741 6 79 . 1 1 18 18 ALA HA H 1 4.09 0.1 . 1 . . . . . . . . 4741 6 80 . 1 1 18 18 ALA HB1 H 1 1.49 0.1 . 1 . . . . . . . . 4741 6 81 . 1 1 18 18 ALA HB2 H 1 1.49 0.1 . 1 . . . . . . . . 4741 6 82 . 1 1 18 18 ALA HB3 H 1 1.49 0.1 . 1 . . . . . . . . 4741 6 83 . 1 1 19 19 ALA H H 1 8.08 0.1 . 1 . . . . . . . . 4741 6 84 . 1 1 19 19 ALA HA H 1 4.18 0.1 . 1 . . . . . . . . 4741 6 85 . 1 1 19 19 ALA HB1 H 1 1.55 0.1 . 1 . . . . . . . . 4741 6 86 . 1 1 19 19 ALA HB2 H 1 1.55 0.1 . 1 . . . . . . . . 4741 6 87 . 1 1 19 19 ALA HB3 H 1 1.55 0.1 . 1 . . . . . . . . 4741 6 88 . 1 1 20 20 LYS H H 1 7.77 0.1 . 1 . . . . . . . . 4741 6 89 . 1 1 20 20 LYS HA H 1 3.98 0.1 . 1 . . . . . . . . 4741 6 90 . 1 1 20 20 LYS HB2 H 1 1.95 0.1 . 2 . . . . . . . . 4741 6 91 . 1 1 20 20 LYS HG2 H 1 1.46 0.1 . 4 . . . . . . . . 4741 6 92 . 1 1 20 20 LYS HD2 H 1 1.70 0.1 . 4 . . . . . . . . 4741 6 93 . 1 1 20 20 LYS HE2 H 1 2.96 0.1 . 2 . . . . . . . . 4741 6 94 . 1 1 20 20 LYS HZ1 H 1 7.58 0.1 . 1 . . . . . . . . 4741 6 95 . 1 1 20 20 LYS HZ2 H 1 7.58 0.1 . 1 . . . . . . . . 4741 6 96 . 1 1 20 20 LYS HZ3 H 1 7.58 0.1 . 1 . . . . . . . . 4741 6 97 . 1 1 21 21 GLU H H 1 7.99 0.1 . 1 . . . . . . . . 4741 6 98 . 1 1 21 21 GLU HA H 1 4.11 0.1 . 1 . . . . . . . . 4741 6 99 . 1 1 21 21 GLU HB2 H 1 2.24 0.1 . 2 . . . . . . . . 4741 6 100 . 1 1 21 21 GLU HG2 H 1 2.48 0.1 . 2 . . . . . . . . 4741 6 101 . 1 1 21 21 GLU HG3 H 1 2.63 0.1 . 2 . . . . . . . . 4741 6 102 . 1 1 22 22 PHE H H 1 8.26 0.1 . 1 . . . . . . . . 4741 6 103 . 1 1 22 22 PHE HA H 1 4.41 0.1 . 1 . . . . . . . . 4741 6 104 . 1 1 22 22 PHE HB2 H 1 3.31 0.1 . 2 . . . . . . . . 4741 6 105 . 1 1 22 22 PHE HB3 H 1 3.26 0.1 . 2 . . . . . . . . 4741 6 106 . 1 1 23 23 ILE H H 1 8.46 0.1 . 1 . . . . . . . . 4741 6 107 . 1 1 23 23 ILE HA H 1 3.65 0.1 . 1 . . . . . . . . 4741 6 108 . 1 1 23 23 ILE HB H 1 1.98 0.1 . 1 . . . . . . . . 4741 6 109 . 1 1 23 23 ILE HG12 H 1 1.36 0.1 . 2 . . . . . . . . 4741 6 110 . 1 1 23 23 ILE HG21 H 1 0.93 0.1 . 1 . . . . . . . . 4741 6 111 . 1 1 23 23 ILE HG22 H 1 0.93 0.1 . 1 . . . . . . . . 4741 6 112 . 1 1 23 23 ILE HG23 H 1 0.93 0.1 . 1 . . . . . . . . 4741 6 113 . 1 1 23 23 ILE HD11 H 1 0.89 0.1 . 1 . . . . . . . . 4741 6 114 . 1 1 23 23 ILE HD12 H 1 0.89 0.1 . 1 . . . . . . . . 4741 6 115 . 1 1 23 23 ILE HD13 H 1 0.89 0.1 . 1 . . . . . . . . 4741 6 116 . 1 1 24 24 ALA H H 1 7.94 0.1 . 1 . . . . . . . . 4741 6 117 . 1 1 24 24 ALA HA H 1 4.00 0.1 . 1 . . . . . . . . 4741 6 118 . 1 1 24 24 ALA HB1 H 1 1.51 0.1 . 1 . . . . . . . . 4741 6 119 . 1 1 24 24 ALA HB2 H 1 1.51 0.1 . 1 . . . . . . . . 4741 6 120 . 1 1 24 24 ALA HB3 H 1 1.51 0.1 . 1 . . . . . . . . 4741 6 121 . 1 1 25 25 TRP H H 1 8.03 0.1 . 1 . . . . . . . . 4741 6 122 . 1 1 25 25 TRP HA H 1 4.20 0.1 . 1 . . . . . . . . 4741 6 123 . 1 1 25 25 TRP HB2 H 1 3.33 0.1 . 2 . . . . . . . . 4741 6 124 . 1 1 25 25 TRP HB3 H 1 3.59 0.1 . 2 . . . . . . . . 4741 6 125 . 1 1 25 25 TRP HE1 H 1 9.82 0.1 . 2 . . . . . . . . 4741 6 126 . 1 1 25 25 TRP HE3 H 1 7.16 0.1 . 3 . . . . . . . . 4741 6 127 . 1 1 26 26 LEU H H 1 8.39 0.1 . 1 . . . . . . . . 4741 6 128 . 1 1 26 26 LEU HA H 1 3.60 0.1 . 1 . . . . . . . . 4741 6 129 . 1 1 26 26 LEU HB2 H 1 1.48 0.1 . 2 . . . . . . . . 4741 6 130 . 1 1 26 26 LEU HB3 H 1 1.74 0.1 . 2 . . . . . . . . 4741 6 131 . 1 1 26 26 LEU HD11 H 1 0.76 0.1 . 2 . . . . . . . . 4741 6 132 . 1 1 26 26 LEU HD12 H 1 0.76 0.1 . 2 . . . . . . . . 4741 6 133 . 1 1 26 26 LEU HD13 H 1 0.76 0.1 . 2 . . . . . . . . 4741 6 134 . 1 1 27 27 VAL H H 1 8.38 0.1 . 1 . . . . . . . . 4741 6 135 . 1 1 27 27 VAL HA H 1 3.72 0.1 . 1 . . . . . . . . 4741 6 136 . 1 1 27 27 VAL HB H 1 2.16 0.1 . 1 . . . . . . . . 4741 6 137 . 1 1 27 27 VAL HG11 H 1 0.91 0.1 . 2 . . . . . . . . 4741 6 138 . 1 1 27 27 VAL HG12 H 1 0.91 0.1 . 2 . . . . . . . . 4741 6 139 . 1 1 27 27 VAL HG13 H 1 0.91 0.1 . 2 . . . . . . . . 4741 6 140 . 1 1 27 27 VAL HG21 H 1 1.01 0.1 . 2 . . . . . . . . 4741 6 141 . 1 1 27 27 VAL HG22 H 1 1.01 0.1 . 2 . . . . . . . . 4741 6 142 . 1 1 27 27 VAL HG23 H 1 1.01 0.1 . 2 . . . . . . . . 4741 6 143 . 1 1 28 28 LYS H H 1 7.99 0.1 . 1 . . . . . . . . 4741 6 144 . 1 1 28 28 LYS HA H 1 4.16 0.1 . 1 . . . . . . . . 4741 6 145 . 1 1 28 28 LYS HB2 H 1 1.88 0.1 . 2 . . . . . . . . 4741 6 146 . 1 1 28 28 LYS HG2 H 1 1.43 0.1 . 4 . . . . . . . . 4741 6 147 . 1 1 28 28 LYS HG3 H 1 1.50 0.1 . 4 . . . . . . . . 4741 6 148 . 1 1 28 28 LYS HD2 H 1 1.65 0.1 . 4 . . . . . . . . 4741 6 149 . 1 1 28 28 LYS HE2 H 1 2.93 0.1 . 2 . . . . . . . . 4741 6 150 . 1 1 28 28 LYS HZ1 H 1 7.51 0.1 . 1 . . . . . . . . 4741 6 151 . 1 1 28 28 LYS HZ2 H 1 7.51 0.1 . 1 . . . . . . . . 4741 6 152 . 1 1 28 28 LYS HZ3 H 1 7.51 0.1 . 1 . . . . . . . . 4741 6 153 . 1 1 29 29 GLY H H 1 7.96 0.1 . 1 . . . . . . . . 4741 6 154 . 1 1 29 29 GLY HA2 H 1 3.85 0.1 . 2 . . . . . . . . 4741 6 155 . 1 1 29 29 GLY HA3 H 1 3.69 0.1 . 1 . . . . . . . . 4741 6 156 . 1 1 30 30 ARG H H 1 7.71 0.1 . 1 . . . . . . . . 4741 6 157 . 1 1 30 30 ARG HA H 1 4.10 0.1 . 1 . . . . . . . . 4741 6 158 . 1 1 30 30 ARG HB2 H 1 1.69 0.1 . 2 . . . . . . . . 4741 6 159 . 1 1 30 30 ARG HB3 H 1 1.77 0.1 . 2 . . . . . . . . 4741 6 160 . 1 1 30 30 ARG HG2 H 1 1.53 0.1 . 4 . . . . . . . . 4741 6 161 . 1 1 30 30 ARG HD2 H 1 3.05 0.1 . 2 . . . . . . . . 4741 6 162 . 1 1 30 30 ARG HH11 H 1 7.12 0.1 . 4 . . . . . . . . 4741 6 stop_ save_ save_chemical_shift_assignment_sample7 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_sample7 _Assigned_chem_shift_list.Entry_ID 4741 _Assigned_chem_shift_list.ID 7 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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 . . 7 $sample_7 . 4741 7 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 HIS HA H 1 4.35 0.1 . 1 . . . . . . . . 4741 7 2 . 1 1 1 1 HIS HD1 H 1 8.70 0.1 . 1 . . . . . . . . 4741 7 3 . 1 1 1 1 HIS HE1 H 1 7.49 0.1 . 2 . . . . . . . . 4741 7 4 . 1 1 2 2 ALA H H 1 8.81 0.1 . 1 . . . . . . . . 4741 7 5 . 1 1 2 2 ALA HA H 1 4.46 0.1 . 1 . . . . . . . . 4741 7 6 . 1 1 2 2 ALA HB1 H 1 1.47 0.1 . 1 . . . . . . . . 4741 7 7 . 1 1 2 2 ALA HB2 H 1 1.47 0.1 . 1 . . . . . . . . 4741 7 8 . 1 1 2 2 ALA HB3 H 1 1.47 0.1 . 1 . . . . . . . . 4741 7 9 . 1 1 3 3 GLU H H 1 8.54 0.1 . 1 . . . . . . . . 4741 7 10 . 1 1 3 3 GLU HA H 1 4.54 0.1 . 1 . . . . . . . . 4741 7 11 . 1 1 3 3 GLU HB2 H 1 2.05 0.1 . 2 . . . . . . . . 4741 7 12 . 1 1 3 3 GLU HB3 H 1 2.22 0.1 . 2 . . . . . . . . 4741 7 13 . 1 1 3 3 GLU HG2 H 1 2.55 0.1 . 2 . . . . . . . . 4741 7 14 . 1 1 4 4 GLY H H 1 8.39 0.1 . 1 . . . . . . . . 4741 7 15 . 1 1 4 4 GLY HA2 H 1 4.06 0.1 . 2 . . . . . . . . 4741 7 16 . 1 1 5 5 THR H H 1 7.97 0.1 . 1 . . . . . . . . 4741 7 17 . 1 1 5 5 THR HA H 1 4.39 0.1 . 1 . . . . . . . . 4741 7 18 . 1 1 5 5 THR HB H 1 4.28 0.1 . 1 . . . . . . . . 4741 7 19 . 1 1 5 5 THR HG21 H 1 1.22 0.1 . 1 . . . . . . . . 4741 7 20 . 1 1 5 5 THR HG22 H 1 1.22 0.1 . 1 . . . . . . . . 4741 7 21 . 1 1 5 5 THR HG23 H 1 1.22 0.1 . 1 . . . . . . . . 4741 7 22 . 1 1 6 6 PHE H H 1 8.38 0.1 . 1 . . . . . . . . 4741 7 23 . 1 1 6 6 PHE HA H 1 4.60 0.1 . 1 . . . . . . . . 4741 7 24 . 1 1 6 6 PHE HB2 H 1 3.19 0.1 . 2 . . . . . . . . 4741 7 25 . 1 1 7 7 THR H H 1 7.94 0.1 . 1 . . . . . . . . 4741 7 26 . 1 1 7 7 THR HA H 1 4.08 0.1 . 1 . . . . . . . . 4741 7 27 . 1 1 7 7 THR HB H 1 4.25 0.1 . 1 . . . . . . . . 4741 7 28 . 1 1 7 7 THR HG21 H 1 1.27 0.1 . 1 . . . . . . . . 4741 7 29 . 1 1 7 7 THR HG22 H 1 1.27 0.1 . 1 . . . . . . . . 4741 7 30 . 1 1 7 7 THR HG23 H 1 1.27 0.1 . 1 . . . . . . . . 4741 7 31 . 1 1 8 8 SER H H 1 8.08 0.1 . 1 . . . . . . . . 4741 7 32 . 1 1 8 8 SER HA H 1 4.38 0.1 . 1 . . . . . . . . 4741 7 33 . 1 1 8 8 SER HB2 H 1 3.96 0.1 . 2 . . . . . . . . 4741 7 34 . 1 1 8 8 SER HB3 H 1 4.02 0.1 . 2 . . . . . . . . 4741 7 35 . 1 1 9 9 ASP H H 1 8.35 0.1 . 1 . . . . . . . . 4741 7 36 . 1 1 9 9 ASP HA H 1 4.63 0.1 . 1 . . . . . . . . 4741 7 37 . 1 1 9 9 ASP HB2 H 1 2.90 0.1 . 2 . . . . . . . . 4741 7 38 . 1 1 9 9 ASP HB3 H 1 3.04 0.1 . 2 . . . . . . . . 4741 7 39 . 1 1 10 10 VAL H H 1 8.09 0.1 . 1 . . . . . . . . 4741 7 40 . 1 1 10 10 VAL HA H 1 3.82 0.1 . 1 . . . . . . . . 4741 7 41 . 1 1 10 10 VAL HB H 1 2.03 0.1 . 1 . . . . . . . . 4741 7 42 . 1 1 10 10 VAL HG11 H 1 0.87 0.1 . 2 . . . . . . . . 4741 7 43 . 1 1 10 10 VAL HG12 H 1 0.87 0.1 . 2 . . . . . . . . 4741 7 44 . 1 1 10 10 VAL HG13 H 1 0.87 0.1 . 2 . . . . . . . . 4741 7 45 . 1 1 10 10 VAL HG21 H 1 0.95 0.1 . 2 . . . . . . . . 4741 7 46 . 1 1 10 10 VAL HG22 H 1 0.95 0.1 . 2 . . . . . . . . 4741 7 47 . 1 1 10 10 VAL HG23 H 1 0.95 0.1 . 2 . . . . . . . . 4741 7 48 . 1 1 11 11 SER H H 1 8.14 0.1 . 1 . . . . . . . . 4741 7 49 . 1 1 11 11 SER HA H 1 4.19 0.1 . 1 . . . . . . . . 4741 7 50 . 1 1 11 11 SER HB2 H 1 3.98 0.1 . 2 . . . . . . . . 4741 7 51 . 1 1 11 11 SER HB3 H 1 4.02 0.1 . 2 . . . . . . . . 4741 7 52 . 1 1 12 12 SER H H 1 7.99 0.1 . 1 . . . . . . . . 4741 7 53 . 1 1 12 12 SER HA H 1 4.30 0.1 . 1 . . . . . . . . 4741 7 54 . 1 1 12 12 SER HB2 H 1 3.98 0.1 . 2 . . . . . . . . 4741 7 55 . 1 1 12 12 SER HB3 H 1 4.05 0.1 . 2 . . . . . . . . 4741 7 56 . 1 1 13 13 TYR H H 1 8.00 0.1 . 1 . . . . . . . . 4741 7 57 . 1 1 13 13 TYR HA H 1 4.33 0.1 . 1 . . . . . . . . 4741 7 58 . 1 1 13 13 TYR HB2 H 1 3.22 0.1 . 2 . . . . . . . . 4741 7 59 . 1 1 13 13 TYR HB3 H 1 3.25 0.1 . 1 . . . . . . . . 4741 7 60 . 1 1 13 13 TYR HD1 H 1 7.10 0.1 . 3 . . . . . . . . 4741 7 61 . 1 1 13 13 TYR HE1 H 1 6.80 0.1 . 3 . . . . . . . . 4741 7 62 . 1 1 14 14 LEU H H 1 8.52 0.1 . 1 . . . . . . . . 4741 7 63 . 1 1 14 14 LEU HA H 1 3.96 0.1 . 1 . . . . . . . . 4741 7 64 . 1 1 14 14 LEU HB2 H 1 1.96 0.1 . 2 . . . . . . . . 4741 7 65 . 1 1 14 14 LEU HB3 H 1 1.53 0.1 . 2 . . . . . . . . 4741 7 66 . 1 1 14 14 LEU HG H 1 0.93 0.1 . 1 . . . . . . . . 4741 7 67 . 1 1 15 15 GLU H H 1 8.41 0.1 . 1 . . . . . . . . 4741 7 68 . 1 1 15 15 GLU HA H 1 4.07 0.1 . 1 . . . . . . . . 4741 7 69 . 1 1 15 15 GLU HB2 H 1 2.24 0.1 . 2 . . . . . . . . 4741 7 70 . 1 1 15 15 GLU HG2 H 1 2.47 0.1 . 2 . . . . . . . . 4741 7 71 . 1 1 15 15 GLU HG3 H 1 2.67 0.1 . 2 . . . . . . . . 4741 7 72 . 1 1 16 16 GLY H H 1 8.03 0.1 . 1 . . . . . . . . 4741 7 73 . 1 1 16 16 GLY HA2 H 1 3.92 0.1 . 2 . . . . . . . . 4741 7 74 . 1 1 17 17 GLN H H 1 7.95 0.1 . 1 . . . . . . . . 4741 7 75 . 1 1 17 17 GLN HA H 1 4.07 0.1 . 1 . . . . . . . . 4741 7 76 . 1 1 17 17 GLN HB2 H 1 2.09 0.1 . 2 . . . . . . . . 4741 7 77 . 1 1 17 17 GLN HG2 H 1 2.15 0.1 . 2 . . . . . . . . 4741 7 78 . 1 1 18 18 ALA H H 1 8.21 0.1 . 1 . . . . . . . . 4741 7 79 . 1 1 18 18 ALA HA H 1 4.10 0.1 . 1 . . . . . . . . 4741 7 80 . 1 1 18 18 ALA HB1 H 1 1.50 0.1 . 1 . . . . . . . . 4741 7 81 . 1 1 18 18 ALA HB2 H 1 1.50 0.1 . 1 . . . . . . . . 4741 7 82 . 1 1 18 18 ALA HB3 H 1 1.50 0.1 . 1 . . . . . . . . 4741 7 83 . 1 1 19 19 ALA H H 1 8.10 0.1 . 1 . . . . . . . . 4741 7 84 . 1 1 19 19 ALA HA H 1 4.20 0.1 . 1 . . . . . . . . 4741 7 85 . 1 1 19 19 ALA HB1 H 1 1.56 0.1 . 1 . . . . . . . . 4741 7 86 . 1 1 19 19 ALA HB2 H 1 1.56 0.1 . 1 . . . . . . . . 4741 7 87 . 1 1 19 19 ALA HB3 H 1 1.56 0.1 . 1 . . . . . . . . 4741 7 88 . 1 1 20 20 LYS H H 1 7.78 0.1 . 1 . . . . . . . . 4741 7 89 . 1 1 20 20 LYS HA H 1 4.00 0.1 . 1 . . . . . . . . 4741 7 90 . 1 1 20 20 LYS HB2 H 1 1.96 0.1 . 2 . . . . . . . . 4741 7 91 . 1 1 20 20 LYS HG2 H 1 1.54 0.1 . 4 . . . . . . . . 4741 7 92 . 1 1 20 20 LYS HD2 H 1 1.73 0.1 . 4 . . . . . . . . 4741 7 93 . 1 1 20 20 LYS HE2 H 1 2.97 0.1 . 2 . . . . . . . . 4741 7 94 . 1 1 20 20 LYS HZ1 H 1 7.58 0.1 . 1 . . . . . . . . 4741 7 95 . 1 1 20 20 LYS HZ2 H 1 7.58 0.1 . 1 . . . . . . . . 4741 7 96 . 1 1 20 20 LYS HZ3 H 1 7.58 0.1 . 1 . . . . . . . . 4741 7 97 . 1 1 21 21 GLU H H 1 8.00 0.1 . 1 . . . . . . . . 4741 7 98 . 1 1 21 21 GLU HA H 1 4.11 0.1 . 1 . . . . . . . . 4741 7 99 . 1 1 21 21 GLU HB2 H 1 2.26 0.1 . 2 . . . . . . . . 4741 7 100 . 1 1 21 21 GLU HG2 H 1 2.49 0.1 . 2 . . . . . . . . 4741 7 101 . 1 1 21 21 GLU HG3 H 1 2.63 0.1 . 2 . . . . . . . . 4741 7 102 . 1 1 22 22 PHE H H 1 8.26 0.1 . 1 . . . . . . . . 4741 7 103 . 1 1 22 22 PHE HA H 1 4.44 0.1 . 1 . . . . . . . . 4741 7 104 . 1 1 22 22 PHE HB2 H 1 3.33 0.1 . 2 . . . . . . . . 4741 7 105 . 1 1 22 22 PHE HB3 H 1 3.29 0.1 . 2 . . . . . . . . 4741 7 106 . 1 1 23 23 ILE H H 1 8.48 0.1 . 1 . . . . . . . . 4741 7 107 . 1 1 23 23 ILE HA H 1 3.67 0.1 . 1 . . . . . . . . 4741 7 108 . 1 1 23 23 ILE HB H 1 2.00 0.1 . 1 . . . . . . . . 4741 7 109 . 1 1 23 23 ILE HG12 H 1 1.38 0.1 . 2 . . . . . . . . 4741 7 110 . 1 1 23 23 ILE HG21 H 1 0.95 0.1 . 1 . . . . . . . . 4741 7 111 . 1 1 23 23 ILE HG22 H 1 0.95 0.1 . 1 . . . . . . . . 4741 7 112 . 1 1 23 23 ILE HG23 H 1 0.95 0.1 . 1 . . . . . . . . 4741 7 113 . 1 1 23 23 ILE HD11 H 1 0.90 0.1 . 1 . . . . . . . . 4741 7 114 . 1 1 23 23 ILE HD12 H 1 0.90 0.1 . 1 . . . . . . . . 4741 7 115 . 1 1 23 23 ILE HD13 H 1 0.90 0.1 . 1 . . . . . . . . 4741 7 116 . 1 1 24 24 ALA H H 1 7.97 0.1 . 1 . . . . . . . . 4741 7 117 . 1 1 24 24 ALA HA H 1 4.02 0.1 . 1 . . . . . . . . 4741 7 118 . 1 1 24 24 ALA HB1 H 1 1.53 0.1 . 1 . . . . . . . . 4741 7 119 . 1 1 24 24 ALA HB2 H 1 1.53 0.1 . 1 . . . . . . . . 4741 7 120 . 1 1 24 24 ALA HB3 H 1 1.53 0.1 . 1 . . . . . . . . 4741 7 121 . 1 1 25 25 TRP H H 1 8.05 0.1 . 1 . . . . . . . . 4741 7 122 . 1 1 25 25 TRP HA H 1 4.21 0.1 . 1 . . . . . . . . 4741 7 123 . 1 1 25 25 TRP HB2 H 1 3.34 0.1 . 2 . . . . . . . . 4741 7 124 . 1 1 25 25 TRP HB3 H 1 3.60 0.1 . 2 . . . . . . . . 4741 7 125 . 1 1 25 25 TRP HE1 H 1 9.78 0.1 . 2 . . . . . . . . 4741 7 126 . 1 1 25 25 TRP HE3 H 1 7.18 0.1 . 3 . . . . . . . . 4741 7 127 . 1 1 26 26 LEU H H 1 8.40 0.1 . 1 . . . . . . . . 4741 7 128 . 1 1 26 26 LEU HA H 1 3.62 0.1 . 1 . . . . . . . . 4741 7 129 . 1 1 26 26 LEU HB2 H 1 1.50 0.1 . 2 . . . . . . . . 4741 7 130 . 1 1 26 26 LEU HB3 H 1 1.76 0.1 . 2 . . . . . . . . 4741 7 131 . 1 1 26 26 LEU HD11 H 1 0.78 0.1 . 2 . . . . . . . . 4741 7 132 . 1 1 26 26 LEU HD12 H 1 0.78 0.1 . 2 . . . . . . . . 4741 7 133 . 1 1 26 26 LEU HD13 H 1 0.78 0.1 . 2 . . . . . . . . 4741 7 134 . 1 1 27 27 VAL H H 1 8.40 0.1 . 1 . . . . . . . . 4741 7 135 . 1 1 27 27 VAL HA H 1 3.74 0.1 . 1 . . . . . . . . 4741 7 136 . 1 1 27 27 VAL HB H 1 2.17 0.1 . 1 . . . . . . . . 4741 7 137 . 1 1 27 27 VAL HG11 H 1 0.92 0.1 . 2 . . . . . . . . 4741 7 138 . 1 1 27 27 VAL HG12 H 1 0.92 0.1 . 2 . . . . . . . . 4741 7 139 . 1 1 27 27 VAL HG13 H 1 0.92 0.1 . 2 . . . . . . . . 4741 7 140 . 1 1 27 27 VAL HG21 H 1 1.03 0.1 . 2 . . . . . . . . 4741 7 141 . 1 1 27 27 VAL HG22 H 1 1.03 0.1 . 2 . . . . . . . . 4741 7 142 . 1 1 27 27 VAL HG23 H 1 1.03 0.1 . 2 . . . . . . . . 4741 7 143 . 1 1 28 28 LYS H H 1 8.03 0.1 . 1 . . . . . . . . 4741 7 144 . 1 1 28 28 LYS HA H 1 4.18 0.1 . 1 . . . . . . . . 4741 7 145 . 1 1 28 28 LYS HB2 H 1 1.90 0.1 . 2 . . . . . . . . 4741 7 146 . 1 1 28 28 LYS HG2 H 1 1.45 0.1 . 4 . . . . . . . . 4741 7 147 . 1 1 28 28 LYS HG3 H 1 1.50 0.1 . 4 . . . . . . . . 4741 7 148 . 1 1 28 28 LYS HD2 H 1 1.66 0.1 . 4 . . . . . . . . 4741 7 149 . 1 1 28 28 LYS HE2 H 1 2.93 0.1 . 2 . . . . . . . . 4741 7 150 . 1 1 28 28 LYS HZ1 H 1 7.50 0.1 . 1 . . . . . . . . 4741 7 151 . 1 1 28 28 LYS HZ2 H 1 7.50 0.1 . 1 . . . . . . . . 4741 7 152 . 1 1 28 28 LYS HZ3 H 1 7.50 0.1 . 1 . . . . . . . . 4741 7 153 . 1 1 29 29 GLY H H 1 7.98 0.1 . 1 . . . . . . . . 4741 7 154 . 1 1 29 29 GLY HA2 H 1 3.69 0.1 . 2 . . . . . . . . 4741 7 155 . 1 1 29 29 GLY HA3 H 1 3.87 0.1 . 1 . . . . . . . . 4741 7 156 . 1 1 30 30 ARG H H 1 7.71 0.1 . 1 . . . . . . . . 4741 7 157 . 1 1 30 30 ARG HA H 1 4.12 0.1 . 1 . . . . . . . . 4741 7 158 . 1 1 30 30 ARG HB2 H 1 1.72 0.1 . 2 . . . . . . . . 4741 7 159 . 1 1 30 30 ARG HB3 H 1 1.77 0.1 . 2 . . . . . . . . 4741 7 160 . 1 1 30 30 ARG HG2 H 1 1.55 0.1 . 4 . . . . . . . . 4741 7 161 . 1 1 30 30 ARG HD2 H 1 3.07 0.1 . 2 . . . . . . . . 4741 7 162 . 1 1 30 30 ARG HH11 H 1 7.13 0.1 . 4 . . . . . . . . 4741 7 stop_ save_ save_chemical_shift_assignment_sample8 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_sample8 _Assigned_chem_shift_list.Entry_ID 4741 _Assigned_chem_shift_list.ID 8 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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 . . 8 $sample_8 . 4741 8 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 HIS HA H 1 4.37 0.1 . 1 . . . . . . . . 4741 8 2 . 1 1 1 1 HIS HB2 H 1 3.46 0.1 . 1 . . . . . . . . 4741 8 3 . 1 1 1 1 HIS HD1 H 1 8.70 0.1 . 1 . . . . . . . . 4741 8 4 . 1 1 1 1 HIS HE1 H 1 7.50 0.1 . 2 . . . . . . . . 4741 8 5 . 1 1 2 2 ALA H H 1 8.82 0.1 . 1 . . . . . . . . 4741 8 6 . 1 1 2 2 ALA HA H 1 4.47 0.1 . 1 . . . . . . . . 4741 8 7 . 1 1 2 2 ALA HB1 H 1 1.48 0.1 . 1 . . . . . . . . 4741 8 8 . 1 1 2 2 ALA HB2 H 1 1.48 0.1 . 1 . . . . . . . . 4741 8 9 . 1 1 2 2 ALA HB3 H 1 1.48 0.1 . 1 . . . . . . . . 4741 8 10 . 1 1 3 3 GLU H H 1 8.53 0.1 . 1 . . . . . . . . 4741 8 11 . 1 1 3 3 GLU HA H 1 4.56 0.1 . 1 . . . . . . . . 4741 8 12 . 1 1 3 3 GLU HB2 H 1 2.06 0.1 . 2 . . . . . . . . 4741 8 13 . 1 1 3 3 GLU HB3 H 1 2.23 0.1 . 2 . . . . . . . . 4741 8 14 . 1 1 3 3 GLU HG2 H 1 2.57 0.1 . 2 . . . . . . . . 4741 8 15 . 1 1 4 4 GLY H H 1 8.38 0.1 . 1 . . . . . . . . 4741 8 16 . 1 1 4 4 GLY HA2 H 1 4.08 0.1 . 2 . . . . . . . . 4741 8 17 . 1 1 5 5 THR H H 1 7.98 0.1 . 1 . . . . . . . . 4741 8 18 . 1 1 5 5 THR HA H 1 4.40 0.1 . 1 . . . . . . . . 4741 8 19 . 1 1 5 5 THR HB H 1 4.31 0.1 . 1 . . . . . . . . 4741 8 20 . 1 1 5 5 THR HG21 H 1 1.24 0.1 . 1 . . . . . . . . 4741 8 21 . 1 1 5 5 THR HG22 H 1 1.24 0.1 . 1 . . . . . . . . 4741 8 22 . 1 1 5 5 THR HG23 H 1 1.24 0.1 . 1 . . . . . . . . 4741 8 23 . 1 1 6 6 PHE H H 1 8.38 0.1 . 1 . . . . . . . . 4741 8 24 . 1 1 6 6 PHE HA H 1 4.60 0.1 . 1 . . . . . . . . 4741 8 25 . 1 1 6 6 PHE HB2 H 1 3.21 0.1 . 2 . . . . . . . . 4741 8 26 . 1 1 6 6 PHE HB3 H 1 3.20 0.1 . 2 . . . . . . . . 4741 8 27 . 1 1 6 6 PHE HD1 H 1 7.27 0.1 . 3 . . . . . . . . 4741 8 28 . 1 1 7 7 THR H H 1 7.94 0.1 . 1 . . . . . . . . 4741 8 29 . 1 1 7 7 THR HA H 1 4.09 0.1 . 1 . . . . . . . . 4741 8 30 . 1 1 7 7 THR HB H 1 4.26 0.1 . 1 . . . . . . . . 4741 8 31 . 1 1 7 7 THR HG21 H 1 1.29 0.1 . 1 . . . . . . . . 4741 8 32 . 1 1 7 7 THR HG22 H 1 1.29 0.1 . 1 . . . . . . . . 4741 8 33 . 1 1 7 7 THR HG23 H 1 1.29 0.1 . 1 . . . . . . . . 4741 8 34 . 1 1 8 8 SER H H 1 8.08 0.1 . 1 . . . . . . . . 4741 8 35 . 1 1 8 8 SER HA H 1 4.38 0.1 . 1 . . . . . . . . 4741 8 36 . 1 1 8 8 SER HB2 H 1 3.97 0.1 . 2 . . . . . . . . 4741 8 37 . 1 1 8 8 SER HB3 H 1 4.04 0.1 . 2 . . . . . . . . 4741 8 38 . 1 1 9 9 ASP H H 1 8.36 0.1 . 1 . . . . . . . . 4741 8 39 . 1 1 9 9 ASP HA H 1 4.64 0.1 . 1 . . . . . . . . 4741 8 40 . 1 1 9 9 ASP HB2 H 1 2.92 0.1 . 2 . . . . . . . . 4741 8 41 . 1 1 9 9 ASP HB3 H 1 3.06 0.1 . 2 . . . . . . . . 4741 8 42 . 1 1 10 10 VAL H H 1 8.11 0.1 . 1 . . . . . . . . 4741 8 43 . 1 1 10 10 VAL HA H 1 3.82 0.1 . 1 . . . . . . . . 4741 8 44 . 1 1 10 10 VAL HB H 1 2.03 0.1 . 1 . . . . . . . . 4741 8 45 . 1 1 10 10 VAL HG11 H 1 0.88 0.1 . 2 . . . . . . . . 4741 8 46 . 1 1 10 10 VAL HG12 H 1 0.88 0.1 . 2 . . . . . . . . 4741 8 47 . 1 1 10 10 VAL HG13 H 1 0.88 0.1 . 2 . . . . . . . . 4741 8 48 . 1 1 10 10 VAL HG21 H 1 0.97 0.1 . 2 . . . . . . . . 4741 8 49 . 1 1 10 10 VAL HG22 H 1 0.97 0.1 . 2 . . . . . . . . 4741 8 50 . 1 1 10 10 VAL HG23 H 1 0.97 0.1 . 2 . . . . . . . . 4741 8 51 . 1 1 11 11 SER H H 1 8.15 0.1 . 1 . . . . . . . . 4741 8 52 . 1 1 11 11 SER HA H 1 4.20 0.1 . 1 . . . . . . . . 4741 8 53 . 1 1 11 11 SER HB2 H 1 4.00 0.1 . 2 . . . . . . . . 4741 8 54 . 1 1 11 11 SER HB3 H 1 4.04 0.1 . 2 . . . . . . . . 4741 8 55 . 1 1 12 12 SER H H 1 7.99 0.1 . 1 . . . . . . . . 4741 8 56 . 1 1 12 12 SER HA H 1 4.31 0.1 . 1 . . . . . . . . 4741 8 57 . 1 1 12 12 SER HB2 H 1 4.00 0.1 . 2 . . . . . . . . 4741 8 58 . 1 1 12 12 SER HB3 H 1 4.08 0.1 . 2 . . . . . . . . 4741 8 59 . 1 1 13 13 TYR H H 1 8.02 0.1 . 1 . . . . . . . . 4741 8 60 . 1 1 13 13 TYR HA H 1 4.34 0.1 . 1 . . . . . . . . 4741 8 61 . 1 1 13 13 TYR HB2 H 1 3.24 0.1 . 2 . . . . . . . . 4741 8 62 . 1 1 13 13 TYR HB3 H 1 3.28 0.1 . 1 . . . . . . . . 4741 8 63 . 1 1 13 13 TYR HD1 H 1 7.12 0.1 . 3 . . . . . . . . 4741 8 64 . 1 1 13 13 TYR HE1 H 1 6.82 0.1 . 3 . . . . . . . . 4741 8 65 . 1 1 14 14 LEU H H 1 8.56 0.1 . 1 . . . . . . . . 4741 8 66 . 1 1 14 14 LEU HA H 1 3.96 0.1 . 1 . . . . . . . . 4741 8 67 . 1 1 14 14 LEU HB2 H 1 1.99 0.1 . 2 . . . . . . . . 4741 8 68 . 1 1 14 14 LEU HB3 H 1 1.56 0.1 . 2 . . . . . . . . 4741 8 69 . 1 1 14 14 LEU HG H 1 0.95 0.1 . 1 . . . . . . . . 4741 8 70 . 1 1 14 14 LEU HD11 H 1 0.79 0.1 . 2 . . . . . . . . 4741 8 71 . 1 1 14 14 LEU HD12 H 1 0.79 0.1 . 2 . . . . . . . . 4741 8 72 . 1 1 14 14 LEU HD13 H 1 0.79 0.1 . 2 . . . . . . . . 4741 8 73 . 1 1 14 14 LEU HD21 H 1 0.81 0.1 . 2 . . . . . . . . 4741 8 74 . 1 1 14 14 LEU HD22 H 1 0.81 0.1 . 2 . . . . . . . . 4741 8 75 . 1 1 14 14 LEU HD23 H 1 0.81 0.1 . 2 . . . . . . . . 4741 8 76 . 1 1 15 15 GLU H H 1 8.45 0.1 . 1 . . . . . . . . 4741 8 77 . 1 1 15 15 GLU HA H 1 4.08 0.1 . 1 . . . . . . . . 4741 8 78 . 1 1 15 15 GLU HB2 H 1 2.25 0.1 . 2 . . . . . . . . 4741 8 79 . 1 1 15 15 GLU HB3 H 1 2.18 0.1 . 2 . . . . . . . . 4741 8 80 . 1 1 15 15 GLU HG2 H 1 2.48 0.1 . 2 . . . . . . . . 4741 8 81 . 1 1 15 15 GLU HG3 H 1 2.69 0.1 . 2 . . . . . . . . 4741 8 82 . 1 1 16 16 GLY H H 1 8.05 0.1 . 1 . . . . . . . . 4741 8 83 . 1 1 16 16 GLY HA2 H 1 3.93 0.1 . 2 . . . . . . . . 4741 8 84 . 1 1 17 17 GLN H H 1 7.97 0.1 . 1 . . . . . . . . 4741 8 85 . 1 1 17 17 GLN HA H 1 4.09 0.1 . 1 . . . . . . . . 4741 8 86 . 1 1 17 17 GLN HB2 H 1 2.10 0.1 . 2 . . . . . . . . 4741 8 87 . 1 1 17 17 GLN HG2 H 1 2.16 0.1 . 2 . . . . . . . . 4741 8 88 . 1 1 18 18 ALA H H 1 8.22 0.1 . 1 . . . . . . . . 4741 8 89 . 1 1 18 18 ALA HA H 1 4.11 0.1 . 1 . . . . . . . . 4741 8 90 . 1 1 18 18 ALA HB1 H 1 1.52 0.1 . 1 . . . . . . . . 4741 8 91 . 1 1 18 18 ALA HB2 H 1 1.52 0.1 . 1 . . . . . . . . 4741 8 92 . 1 1 18 18 ALA HB3 H 1 1.52 0.1 . 1 . . . . . . . . 4741 8 93 . 1 1 19 19 ALA H H 1 8.13 0.1 . 1 . . . . . . . . 4741 8 94 . 1 1 19 19 ALA HA H 1 4.21 0.1 . 1 . . . . . . . . 4741 8 95 . 1 1 19 19 ALA HB1 H 1 1.59 0.1 . 1 . . . . . . . . 4741 8 96 . 1 1 19 19 ALA HB2 H 1 1.59 0.1 . 1 . . . . . . . . 4741 8 97 . 1 1 19 19 ALA HB3 H 1 1.59 0.1 . 1 . . . . . . . . 4741 8 98 . 1 1 20 20 LYS H H 1 7.80 0.1 . 1 . . . . . . . . 4741 8 99 . 1 1 20 20 LYS HA H 1 4.02 0.1 . 1 . . . . . . . . 4741 8 100 . 1 1 20 20 LYS HB2 H 1 1.98 0.1 . 2 . . . . . . . . 4741 8 101 . 1 1 20 20 LYS HG2 H 1 1.47 0.1 . 4 . . . . . . . . 4741 8 102 . 1 1 20 20 LYS HG3 H 1 1.55 0.1 . 4 . . . . . . . . 4741 8 103 . 1 1 20 20 LYS HD2 H 1 1.74 0.1 . 4 . . . . . . . . 4741 8 104 . 1 1 20 20 LYS HE2 H 1 2.99 0.1 . 2 . . . . . . . . 4741 8 105 . 1 1 20 20 LYS HZ1 H 1 7.60 0.1 . 1 . . . . . . . . 4741 8 106 . 1 1 20 20 LYS HZ2 H 1 7.60 0.1 . 1 . . . . . . . . 4741 8 107 . 1 1 20 20 LYS HZ3 H 1 7.60 0.1 . 1 . . . . . . . . 4741 8 108 . 1 1 21 21 GLU H H 1 8.01 0.1 . 1 . . . . . . . . 4741 8 109 . 1 1 21 21 GLU HA H 1 4.13 0.1 . 1 . . . . . . . . 4741 8 110 . 1 1 21 21 GLU HB2 H 1 2.28 0.1 . 2 . . . . . . . . 4741 8 111 . 1 1 21 21 GLU HB3 H 1 2.20 0.1 . 1 . . . . . . . . 4741 8 112 . 1 1 21 21 GLU HG2 H 1 2.50 0.1 . 2 . . . . . . . . 4741 8 113 . 1 1 21 21 GLU HG3 H 1 2.65 0.1 . 2 . . . . . . . . 4741 8 114 . 1 1 22 22 PHE H H 1 8.28 0.1 . 1 . . . . . . . . 4741 8 115 . 1 1 22 22 PHE HA H 1 4.46 0.1 . 1 . . . . . . . . 4741 8 116 . 1 1 22 22 PHE HB2 H 1 3.36 0.1 . 2 . . . . . . . . 4741 8 117 . 1 1 22 22 PHE HB3 H 1 3.30 0.1 . 2 . . . . . . . . 4741 8 118 . 1 1 22 22 PHE HD1 H 1 7.24 0.1 . 3 . . . . . . . . 4741 8 119 . 1 1 22 22 PHE HE1 H 1 7.32 0.1 . 3 . . . . . . . . 4741 8 120 . 1 1 22 22 PHE HZ H 1 7.07 0.1 . 1 . . . . . . . . 4741 8 121 . 1 1 23 23 ILE H H 1 8.50 0.1 . 1 . . . . . . . . 4741 8 122 . 1 1 23 23 ILE HA H 1 3.68 0.1 . 1 . . . . . . . . 4741 8 123 . 1 1 23 23 ILE HB H 1 2.02 0.1 . 1 . . . . . . . . 4741 8 124 . 1 1 23 23 ILE HG12 H 1 1.39 0.1 . 2 . . . . . . . . 4741 8 125 . 1 1 23 23 ILE HG13 H 1 1.21 0.1 . 2 . . . . . . . . 4741 8 126 . 1 1 23 23 ILE HG21 H 1 0.96 0.1 . 1 . . . . . . . . 4741 8 127 . 1 1 23 23 ILE HG22 H 1 0.96 0.1 . 1 . . . . . . . . 4741 8 128 . 1 1 23 23 ILE HG23 H 1 0.96 0.1 . 1 . . . . . . . . 4741 8 129 . 1 1 23 23 ILE HD11 H 1 0.92 0.1 . 1 . . . . . . . . 4741 8 130 . 1 1 23 23 ILE HD12 H 1 0.92 0.1 . 1 . . . . . . . . 4741 8 131 . 1 1 23 23 ILE HD13 H 1 0.92 0.1 . 1 . . . . . . . . 4741 8 132 . 1 1 24 24 ALA H H 1 7.99 0.1 . 1 . . . . . . . . 4741 8 133 . 1 1 24 24 ALA HA H 1 4.02 0.1 . 1 . . . . . . . . 4741 8 134 . 1 1 24 24 ALA HB1 H 1 1.55 0.1 . 1 . . . . . . . . 4741 8 135 . 1 1 24 24 ALA HB2 H 1 1.55 0.1 . 1 . . . . . . . . 4741 8 136 . 1 1 24 24 ALA HB3 H 1 1.55 0.1 . 1 . . . . . . . . 4741 8 137 . 1 1 25 25 TRP H H 1 8.07 0.1 . 1 . . . . . . . . 4741 8 138 . 1 1 25 25 TRP HA H 1 4.22 0.1 . 1 . . . . . . . . 4741 8 139 . 1 1 25 25 TRP HB2 H 1 3.36 0.1 . 2 . . . . . . . . 4741 8 140 . 1 1 25 25 TRP HB3 H 1 3.62 0.1 . 2 . . . . . . . . 4741 8 141 . 1 1 25 25 TRP HD1 H 1 7.19 0.1 . 1 . . . . . . . . 4741 8 142 . 1 1 25 25 TRP HE1 H 1 9.76 0.1 . 2 . . . . . . . . 4741 8 143 . 1 1 25 25 TRP HE3 H 1 7.43 0.1 . 3 . . . . . . . . 4741 8 144 . 1 1 25 25 TRP HZ2 H 1 7.46 0.1 . 3 . . . . . . . . 4741 8 145 . 1 1 26 26 LEU H H 1 8.42 0.1 . 1 . . . . . . . . 4741 8 146 . 1 1 26 26 LEU HA H 1 3.64 0.1 . 1 . . . . . . . . 4741 8 147 . 1 1 26 26 LEU HB2 H 1 1.51 0.1 . 2 . . . . . . . . 4741 8 148 . 1 1 26 26 LEU HB3 H 1 1.79 0.1 . 2 . . . . . . . . 4741 8 149 . 1 1 26 26 LEU HD11 H 1 0.79 0.1 . 2 . . . . . . . . 4741 8 150 . 1 1 26 26 LEU HD12 H 1 0.79 0.1 . 2 . . . . . . . . 4741 8 151 . 1 1 26 26 LEU HD13 H 1 0.79 0.1 . 2 . . . . . . . . 4741 8 152 . 1 1 26 26 LEU HD21 H 1 0.81 0.1 . 2 . . . . . . . . 4741 8 153 . 1 1 26 26 LEU HD22 H 1 0.81 0.1 . 2 . . . . . . . . 4741 8 154 . 1 1 26 26 LEU HD23 H 1 0.81 0.1 . 2 . . . . . . . . 4741 8 155 . 1 1 27 27 VAL H H 1 8.42 0.1 . 1 . . . . . . . . 4741 8 156 . 1 1 27 27 VAL HA H 1 3.75 0.1 . 1 . . . . . . . . 4741 8 157 . 1 1 27 27 VAL HB H 1 2.18 0.1 . 1 . . . . . . . . 4741 8 158 . 1 1 27 27 VAL HG11 H 1 0.94 0.1 . 2 . . . . . . . . 4741 8 159 . 1 1 27 27 VAL HG12 H 1 0.94 0.1 . 2 . . . . . . . . 4741 8 160 . 1 1 27 27 VAL HG13 H 1 0.94 0.1 . 2 . . . . . . . . 4741 8 161 . 1 1 27 27 VAL HG21 H 1 1.05 0.1 . 2 . . . . . . . . 4741 8 162 . 1 1 27 27 VAL HG22 H 1 1.05 0.1 . 2 . . . . . . . . 4741 8 163 . 1 1 27 27 VAL HG23 H 1 1.05 0.1 . 2 . . . . . . . . 4741 8 164 . 1 1 28 28 LYS H H 1 8.06 0.1 . 1 . . . . . . . . 4741 8 165 . 1 1 28 28 LYS HA H 1 4.17 0.1 . 1 . . . . . . . . 4741 8 166 . 1 1 28 28 LYS HB2 H 1 1.91 0.1 . 2 . . . . . . . . 4741 8 167 . 1 1 28 28 LYS HB3 H 1 2.01 0.1 . 1 . . . . . . . . 4741 8 168 . 1 1 28 28 LYS HG2 H 1 1.45 0.1 . 4 . . . . . . . . 4741 8 169 . 1 1 28 28 LYS HG3 H 1 1.53 0.1 . 4 . . . . . . . . 4741 8 170 . 1 1 28 28 LYS HD2 H 1 1.67 0.1 . 4 . . . . . . . . 4741 8 171 . 1 1 28 28 LYS HE2 H 1 2.94 0.1 . 2 . . . . . . . . 4741 8 172 . 1 1 28 28 LYS HZ1 H 1 7.51 0.1 . 1 . . . . . . . . 4741 8 173 . 1 1 28 28 LYS HZ2 H 1 7.51 0.1 . 1 . . . . . . . . 4741 8 174 . 1 1 28 28 LYS HZ3 H 1 7.51 0.1 . 1 . . . . . . . . 4741 8 175 . 1 1 29 29 GLY H H 1 8.00 0.1 . 1 . . . . . . . . 4741 8 176 . 1 1 29 29 GLY HA2 H 1 3.88 0.1 . 2 . . . . . . . . 4741 8 177 . 1 1 29 29 GLY HA3 H 1 3.71 0.1 . 1 . . . . . . . . 4741 8 178 . 1 1 30 30 ARG H H 1 7.72 0.1 . 1 . . . . . . . . 4741 8 179 . 1 1 30 30 ARG HA H 1 4.14 0.1 . 1 . . . . . . . . 4741 8 180 . 1 1 30 30 ARG HB2 H 1 1.74 0.1 . 2 . . . . . . . . 4741 8 181 . 1 1 30 30 ARG HB3 H 1 1.79 0.1 . 2 . . . . . . . . 4741 8 182 . 1 1 30 30 ARG HG2 H 1 1.58 0.1 . 4 . . . . . . . . 4741 8 183 . 1 1 30 30 ARG HD2 H 1 3.08 0.1 . 2 . . . . . . . . 4741 8 184 . 1 1 30 30 ARG HH11 H 1 7.21 0.1 . 4 . . . . . . . . 4741 8 185 . 1 1 30 30 ARG HH21 H 1 6.77 0.1 . 4 . . . . . . . . 4741 8 stop_ save_ save_chemical_shift_assignment_sample9 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_sample9 _Assigned_chem_shift_list.Entry_ID 4741 _Assigned_chem_shift_list.ID 9 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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 . . 9 $sample_9 . 4741 9 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 HIS HA H 1 4.37 0.1 . 1 . . . . . . . . 4741 9 2 . 1 1 1 1 HIS HB2 H 1 3.46 0.1 . 2 . . . . . . . . 4741 9 3 . 1 1 1 1 HIS HD1 H 1 8.70 0.1 . 1 . . . . . . . . 4741 9 4 . 1 1 1 1 HIS HE1 H 1 7.49 0.1 . 2 . . . . . . . . 4741 9 5 . 1 1 2 2 ALA H H 1 8.81 0.1 . 1 . . . . . . . . 4741 9 6 . 1 1 2 2 ALA HA H 1 4.46 0.1 . 1 . . . . . . . . 4741 9 7 . 1 1 2 2 ALA HB1 H 1 1.48 0.1 . 1 . . . . . . . . 4741 9 8 . 1 1 2 2 ALA HB2 H 1 1.48 0.1 . 1 . . . . . . . . 4741 9 9 . 1 1 2 2 ALA HB3 H 1 1.48 0.1 . 1 . . . . . . . . 4741 9 10 . 1 1 3 3 GLU H H 1 8.55 0.1 . 1 . . . . . . . . 4741 9 11 . 1 1 3 3 GLU HA H 1 4.55 0.1 . 1 . . . . . . . . 4741 9 12 . 1 1 3 3 GLU HB2 H 1 2.06 0.1 . 2 . . . . . . . . 4741 9 13 . 1 1 3 3 GLU HB3 H 1 2.21 0.1 . 2 . . . . . . . . 4741 9 14 . 1 1 3 3 GLU HG2 H 1 2.55 0.1 . 2 . . . . . . . . 4741 9 15 . 1 1 4 4 GLY H H 1 8.39 0.1 . 1 . . . . . . . . 4741 9 16 . 1 1 4 4 GLY HA2 H 1 4.07 0.1 . 2 . . . . . . . . 4741 9 17 . 1 1 4 4 GLY HA3 H 1 4.00 0.1 . 2 . . . . . . . . 4741 9 18 . 1 1 5 5 THR H H 1 7.96 0.1 . 1 . . . . . . . . 4741 9 19 . 1 1 5 5 THR HA H 1 4.39 0.1 . 1 . . . . . . . . 4741 9 20 . 1 1 5 5 THR HB H 1 4.29 0.1 . 1 . . . . . . . . 4741 9 21 . 1 1 5 5 THR HG21 H 1 1.23 0.1 . 1 . . . . . . . . 4741 9 22 . 1 1 5 5 THR HG22 H 1 1.23 0.1 . 1 . . . . . . . . 4741 9 23 . 1 1 5 5 THR HG23 H 1 1.23 0.1 . 1 . . . . . . . . 4741 9 24 . 1 1 6 6 PHE H H 1 8.36 0.1 . 1 . . . . . . . . 4741 9 25 . 1 1 6 6 PHE HA H 1 4.60 0.1 . 1 . . . . . . . . 4741 9 26 . 1 1 6 6 PHE HB2 H 1 3.21 0.1 . 2 . . . . . . . . 4741 9 27 . 1 1 6 6 PHE HB3 H 1 3.03 0.1 . 2 . . . . . . . . 4741 9 28 . 1 1 7 7 THR H H 1 7.94 0.1 . 1 . . . . . . . . 4741 9 29 . 1 1 7 7 THR HA H 1 4.10 0.1 . 1 . . . . . . . . 4741 9 30 . 1 1 7 7 THR HB H 1 4.26 0.1 . 1 . . . . . . . . 4741 9 31 . 1 1 7 7 THR HG21 H 1 1.28 0.1 . 1 . . . . . . . . 4741 9 32 . 1 1 7 7 THR HG22 H 1 1.28 0.1 . 1 . . . . . . . . 4741 9 33 . 1 1 7 7 THR HG23 H 1 1.28 0.1 . 1 . . . . . . . . 4741 9 34 . 1 1 8 8 SER H H 1 8.09 0.1 . 1 . . . . . . . . 4741 9 35 . 1 1 8 8 SER HA H 1 4.39 0.1 . 1 . . . . . . . . 4741 9 36 . 1 1 8 8 SER HB2 H 1 3.96 0.1 . 2 . . . . . . . . 4741 9 37 . 1 1 8 8 SER HB3 H 1 4.03 0.1 . 2 . . . . . . . . 4741 9 38 . 1 1 9 9 ASP H H 1 8.36 0.1 . 1 . . . . . . . . 4741 9 39 . 1 1 9 9 ASP HA H 1 4.64 0.1 . 1 . . . . . . . . 4741 9 40 . 1 1 9 9 ASP HB2 H 1 2.90 0.1 . 2 . . . . . . . . 4741 9 41 . 1 1 9 9 ASP HB3 H 1 3.03 0.1 . 2 . . . . . . . . 4741 9 42 . 1 1 10 10 VAL H H 1 8.11 0.1 . 1 . . . . . . . . 4741 9 43 . 1 1 10 10 VAL HA H 1 3.83 0.1 . 1 . . . . . . . . 4741 9 44 . 1 1 10 10 VAL HB H 1 2.05 0.1 . 1 . . . . . . . . 4741 9 45 . 1 1 10 10 VAL HG11 H 1 0.88 0.1 . 2 . . . . . . . . 4741 9 46 . 1 1 10 10 VAL HG12 H 1 0.88 0.1 . 2 . . . . . . . . 4741 9 47 . 1 1 10 10 VAL HG13 H 1 0.88 0.1 . 2 . . . . . . . . 4741 9 48 . 1 1 10 10 VAL HG21 H 1 0.96 0.1 . 2 . . . . . . . . 4741 9 49 . 1 1 10 10 VAL HG22 H 1 0.96 0.1 . 2 . . . . . . . . 4741 9 50 . 1 1 10 10 VAL HG23 H 1 0.96 0.1 . 2 . . . . . . . . 4741 9 51 . 1 1 11 11 SER H H 1 8.15 0.1 . 1 . . . . . . . . 4741 9 52 . 1 1 11 11 SER HA H 1 4.20 0.1 . 1 . . . . . . . . 4741 9 53 . 1 1 11 11 SER HB2 H 1 3.99 0.1 . 2 . . . . . . . . 4741 9 54 . 1 1 11 11 SER HB3 H 1 4.00 0.1 . 2 . . . . . . . . 4741 9 55 . 1 1 12 12 SER H H 1 8.00 0.1 . 1 . . . . . . . . 4741 9 56 . 1 1 12 12 SER HA H 1 4.31 0.1 . 1 . . . . . . . . 4741 9 57 . 1 1 12 12 SER HB2 H 1 4.00 0.1 . 2 . . . . . . . . 4741 9 58 . 1 1 12 12 SER HB3 H 1 4.06 0.1 . 2 . . . . . . . . 4741 9 59 . 1 1 13 13 TYR H H 1 8.01 0.1 . 1 . . . . . . . . 4741 9 60 . 1 1 13 13 TYR HA H 1 4.34 0.1 . 1 . . . . . . . . 4741 9 61 . 1 1 13 13 TYR HB2 H 1 3.25 0.1 . 2 . . . . . . . . 4741 9 62 . 1 1 13 13 TYR HD1 H 1 7.11 0.1 . 3 . . . . . . . . 4741 9 63 . 1 1 13 13 TYR HE1 H 1 6.81 0.1 . 3 . . . . . . . . 4741 9 64 . 1 1 14 14 LEU H H 1 8.54 0.1 . 1 . . . . . . . . 4741 9 65 . 1 1 14 14 LEU HA H 1 3.97 0.1 . 1 . . . . . . . . 4741 9 66 . 1 1 14 14 LEU HB2 H 1 2.00 0.1 . 2 . . . . . . . . 4741 9 67 . 1 1 14 14 LEU HB3 H 1 1.54 0.1 . 2 . . . . . . . . 4741 9 68 . 1 1 14 14 LEU HG H 1 0.94 0.1 . 1 . . . . . . . . 4741 9 69 . 1 1 15 15 GLU H H 1 8.44 0.1 . 1 . . . . . . . . 4741 9 70 . 1 1 15 15 GLU HA H 1 4.07 0.1 . 1 . . . . . . . . 4741 9 71 . 1 1 15 15 GLU HB2 H 1 2.25 0.1 . 2 . . . . . . . . 4741 9 72 . 1 1 15 15 GLU HB3 H 1 2.16 0.1 . 2 . . . . . . . . 4741 9 73 . 1 1 15 15 GLU HG2 H 1 2.48 0.1 . 2 . . . . . . . . 4741 9 74 . 1 1 15 15 GLU HG3 H 1 2.68 0.1 . 2 . . . . . . . . 4741 9 75 . 1 1 16 16 GLY H H 1 8.04 0.1 . 1 . . . . . . . . 4741 9 76 . 1 1 16 16 GLY HA2 H 1 3.93 0.1 . 2 . . . . . . . . 4741 9 77 . 1 1 17 17 GLN H H 1 7.96 0.1 . 1 . . . . . . . . 4741 9 78 . 1 1 17 17 GLN HA H 1 4.08 0.1 . 1 . . . . . . . . 4741 9 79 . 1 1 17 17 GLN HB2 H 1 2.10 0.1 . 2 . . . . . . . . 4741 9 80 . 1 1 17 17 GLN HG2 H 1 2.16 0.1 . 2 . . . . . . . . 4741 9 81 . 1 1 18 18 ALA H H 1 8.22 0.1 . 1 . . . . . . . . 4741 9 82 . 1 1 18 18 ALA HA H 1 4.11 0.1 . 1 . . . . . . . . 4741 9 83 . 1 1 18 18 ALA HB1 H 1 1.52 0.1 . 1 . . . . . . . . 4741 9 84 . 1 1 18 18 ALA HB2 H 1 1.52 0.1 . 1 . . . . . . . . 4741 9 85 . 1 1 18 18 ALA HB3 H 1 1.52 0.1 . 1 . . . . . . . . 4741 9 86 . 1 1 19 19 ALA H H 1 8.12 0.1 . 1 . . . . . . . . 4741 9 87 . 1 1 19 19 ALA HA H 1 4.21 0.1 . 1 . . . . . . . . 4741 9 88 . 1 1 19 19 ALA HB1 H 1 1.58 0.1 . 1 . . . . . . . . 4741 9 89 . 1 1 19 19 ALA HB2 H 1 1.58 0.1 . 1 . . . . . . . . 4741 9 90 . 1 1 19 19 ALA HB3 H 1 1.58 0.1 . 1 . . . . . . . . 4741 9 91 . 1 1 20 20 LYS H H 1 7.80 0.1 . 1 . . . . . . . . 4741 9 92 . 1 1 20 20 LYS HA H 1 4.01 0.1 . 1 . . . . . . . . 4741 9 93 . 1 1 20 20 LYS HB2 H 1 1.98 0.1 . 2 . . . . . . . . 4741 9 94 . 1 1 20 20 LYS HG2 H 1 1.46 0.1 . 4 . . . . . . . . 4741 9 95 . 1 1 20 20 LYS HD2 H 1 1.74 0.1 . 4 . . . . . . . . 4741 9 96 . 1 1 20 20 LYS HE2 H 1 2.98 0.1 . 2 . . . . . . . . 4741 9 97 . 1 1 20 20 LYS HZ1 H 1 7.62 0.1 . 1 . . . . . . . . 4741 9 98 . 1 1 20 20 LYS HZ2 H 1 7.62 0.1 . 1 . . . . . . . . 4741 9 99 . 1 1 20 20 LYS HZ3 H 1 7.62 0.1 . 1 . . . . . . . . 4741 9 100 . 1 1 21 21 GLU H H 1 8.01 0.1 . 1 . . . . . . . . 4741 9 101 . 1 1 21 21 GLU HA H 1 4.12 0.1 . 1 . . . . . . . . 4741 9 102 . 1 1 21 21 GLU HB2 H 1 2.26 0.1 . 2 . . . . . . . . 4741 9 103 . 1 1 21 21 GLU HB3 H 1 2.19 0.1 . 1 . . . . . . . . 4741 9 104 . 1 1 21 21 GLU HG2 H 1 2.50 0.1 . 2 . . . . . . . . 4741 9 105 . 1 1 21 21 GLU HG3 H 1 2.65 0.1 . 2 . . . . . . . . 4741 9 106 . 1 1 22 22 PHE H H 1 8.28 0.1 . 1 . . . . . . . . 4741 9 107 . 1 1 22 22 PHE HA H 1 4.45 0.1 . 1 . . . . . . . . 4741 9 108 . 1 1 22 22 PHE HB2 H 1 3.35 0.1 . 2 . . . . . . . . 4741 9 109 . 1 1 22 22 PHE HB3 H 1 3.30 0.1 . 2 . . . . . . . . 4741 9 110 . 1 1 23 23 ILE H H 1 8.49 0.1 . 1 . . . . . . . . 4741 9 111 . 1 1 23 23 ILE HA H 1 3.68 0.1 . 1 . . . . . . . . 4741 9 112 . 1 1 23 23 ILE HB H 1 2.01 0.1 . 1 . . . . . . . . 4741 9 113 . 1 1 23 23 ILE HG12 H 1 1.38 0.1 . 2 . . . . . . . . 4741 9 114 . 1 1 23 23 ILE HG21 H 1 0.96 0.1 . 1 . . . . . . . . 4741 9 115 . 1 1 23 23 ILE HG22 H 1 0.96 0.1 . 1 . . . . . . . . 4741 9 116 . 1 1 23 23 ILE HG23 H 1 0.96 0.1 . 1 . . . . . . . . 4741 9 117 . 1 1 23 23 ILE HD11 H 1 0.91 0.1 . 1 . . . . . . . . 4741 9 118 . 1 1 23 23 ILE HD12 H 1 0.91 0.1 . 1 . . . . . . . . 4741 9 119 . 1 1 23 23 ILE HD13 H 1 0.91 0.1 . 1 . . . . . . . . 4741 9 120 . 1 1 24 24 ALA H H 1 7.98 0.1 . 1 . . . . . . . . 4741 9 121 . 1 1 24 24 ALA HA H 1 4.03 0.1 . 1 . . . . . . . . 4741 9 122 . 1 1 24 24 ALA HB1 H 1 1.53 0.1 . 1 . . . . . . . . 4741 9 123 . 1 1 24 24 ALA HB2 H 1 1.53 0.1 . 1 . . . . . . . . 4741 9 124 . 1 1 24 24 ALA HB3 H 1 1.53 0.1 . 1 . . . . . . . . 4741 9 125 . 1 1 25 25 TRP H H 1 8.07 0.1 . 1 . . . . . . . . 4741 9 126 . 1 1 25 25 TRP HA H 1 4.22 0.1 . 1 . . . . . . . . 4741 9 127 . 1 1 25 25 TRP HB2 H 1 3.36 0.1 . 2 . . . . . . . . 4741 9 128 . 1 1 25 25 TRP HB3 H 1 3.62 0.1 . 2 . . . . . . . . 4741 9 129 . 1 1 25 25 TRP HD1 H 1 7.18 0.1 . 1 . . . . . . . . 4741 9 130 . 1 1 25 25 TRP HE1 H 1 9.77 0.1 . 2 . . . . . . . . 4741 9 131 . 1 1 26 26 LEU H H 1 8.42 0.1 . 1 . . . . . . . . 4741 9 132 . 1 1 26 26 LEU HA H 1 3.63 0.1 . 1 . . . . . . . . 4741 9 133 . 1 1 26 26 LEU HB2 H 1 1.51 0.1 . 2 . . . . . . . . 4741 9 134 . 1 1 26 26 LEU HB3 H 1 1.78 0.1 . 2 . . . . . . . . 4741 9 135 . 1 1 26 26 LEU HD11 H 1 0.78 0.1 . 2 . . . . . . . . 4741 9 136 . 1 1 26 26 LEU HD12 H 1 0.78 0.1 . 2 . . . . . . . . 4741 9 137 . 1 1 26 26 LEU HD13 H 1 0.78 0.1 . 2 . . . . . . . . 4741 9 138 . 1 1 26 26 LEU HD21 H 1 0.81 0.1 . 2 . . . . . . . . 4741 9 139 . 1 1 26 26 LEU HD22 H 1 0.81 0.1 . 2 . . . . . . . . 4741 9 140 . 1 1 26 26 LEU HD23 H 1 0.81 0.1 . 2 . . . . . . . . 4741 9 141 . 1 1 27 27 VAL H H 1 8.42 0.1 . 1 . . . . . . . . 4741 9 142 . 1 1 27 27 VAL HA H 1 3.75 0.1 . 1 . . . . . . . . 4741 9 143 . 1 1 27 27 VAL HB H 1 2.18 0.1 . 1 . . . . . . . . 4741 9 144 . 1 1 27 27 VAL HG11 H 1 0.93 0.1 . 2 . . . . . . . . 4741 9 145 . 1 1 27 27 VAL HG12 H 1 0.93 0.1 . 2 . . . . . . . . 4741 9 146 . 1 1 27 27 VAL HG13 H 1 0.93 0.1 . 2 . . . . . . . . 4741 9 147 . 1 1 27 27 VAL HG21 H 1 1.04 0.1 . 2 . . . . . . . . 4741 9 148 . 1 1 27 27 VAL HG22 H 1 1.04 0.1 . 2 . . . . . . . . 4741 9 149 . 1 1 27 27 VAL HG23 H 1 1.04 0.1 . 2 . . . . . . . . 4741 9 150 . 1 1 28 28 LYS H H 1 8.06 0.1 . 1 . . . . . . . . 4741 9 151 . 1 1 28 28 LYS HA H 1 4.19 0.1 . 1 . . . . . . . . 4741 9 152 . 1 1 28 28 LYS HB2 H 1 1.90 0.1 . 2 . . . . . . . . 4741 9 153 . 1 1 28 28 LYS HG2 H 1 1.45 0.1 . 4 . . . . . . . . 4741 9 154 . 1 1 28 28 LYS HG3 H 1 1.52 0.1 . 4 . . . . . . . . 4741 9 155 . 1 1 28 28 LYS HD2 H 1 1.67 0.1 . 4 . . . . . . . . 4741 9 156 . 1 1 28 28 LYS HE2 H 1 2.94 0.1 . 2 . . . . . . . . 4741 9 157 . 1 1 28 28 LYS HZ1 H 1 7.53 0.1 . 1 . . . . . . . . 4741 9 158 . 1 1 28 28 LYS HZ2 H 1 7.53 0.1 . 1 . . . . . . . . 4741 9 159 . 1 1 28 28 LYS HZ3 H 1 7.53 0.1 . 1 . . . . . . . . 4741 9 160 . 1 1 29 29 GLY H H 1 8.00 0.1 . 1 . . . . . . . . 4741 9 161 . 1 1 29 29 GLY HA2 H 1 3.88 0.1 . 2 . . . . . . . . 4741 9 162 . 1 1 29 29 GLY HA3 H 1 3.70 0.1 . 1 . . . . . . . . 4741 9 163 . 1 1 30 30 ARG H H 1 7.72 0.1 . 1 . . . . . . . . 4741 9 164 . 1 1 30 30 ARG HA H 1 4.13 0.1 . 1 . . . . . . . . 4741 9 165 . 1 1 30 30 ARG HB2 H 1 1.72 0.1 . 2 . . . . . . . . 4741 9 166 . 1 1 30 30 ARG HB3 H 1 1.79 0.1 . 2 . . . . . . . . 4741 9 167 . 1 1 30 30 ARG HG2 H 1 1.56 0.1 . 4 . . . . . . . . 4741 9 168 . 1 1 30 30 ARG HD2 H 1 3.07 0.1 . 2 . . . . . . . . 4741 9 169 . 1 1 30 30 ARG HH11 H 1 7.13 0.1 . 4 . . . . . . . . 4741 9 stop_ save_