data_5732 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5732 _Entry.Title ; 1H Chemical Shift Assignments for SCR3 peptide (18-54) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-03-12 _Entry.Accession_date 2003-03-12 _Entry.Last_release_date 2004-09-14 _Entry.Original_release_date 2004-09-14 _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 Thelma Pertinhez . A. . 5732 2 Amanda Sherwood . K. . 5732 3 Leonardo Fraceto . F. . 5732 4 Mario Bouchard . . . 5732 5 Maureen Pitkeathly . . . 5732 6 Lorna Smith . J. . 5732 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5732 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 459 5732 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-09-14 2003-03-12 original author . 5732 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5731 'SCR3(18-54) peptide' 5732 BMRB 5733 'SCR3(34-54) peptide' 5732 BMRB 5734 'SCR3(27-33) peptide' 5732 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5732 _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 ; Alpha and beta Conformational preferences in Fibril Forming Peptides Characterised using NMR and CD Techniques ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Spectroscopy (Amsterdam, Neth.)' _Citation.Journal_name_full . _Citation.Journal_volume 18 _Citation.Journal_issue 1 _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 1 _Citation.Page_last 11 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Thelma Pertinhez . A. . 5732 1 2 Amanda Sherwood . K. . 5732 1 3 Leonardo Fraceto . F. . 5732 1 4 Mario Bouchard . . . 5732 1 5 Maureen Pitkeathly . . . 5732 1 6 Lorna Smith . J. . 5732 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SCR3_peptides _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SCR3_peptides _Assembly.Entry_ID 5732 _Assembly.ID 1 _Assembly.Name 'SCR3 peptide (18-54)' _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 monomer 5732 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 'SCR3(18-54), monomer' 1 $SCR3_peptide . . . native . . . . . 5732 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'SCR3 peptide (18-54)' abbreviation 5732 1 'SCR3 peptide (18-54)' system 5732 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SCR3_peptide _Entity.Sf_category entity _Entity.Sf_framecode SCR3_peptide _Entity.Entry_ID 5732 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SCR3 peptide (18-54)' _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 ; STRENFHYGSVVTYRSNPGS GGRKVFELVGEPSIYS ; _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 36 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no BMRB 5733 . SCR3_peptide . . . . . 58.33 21 100.00 100.00 1.37e-04 . . . . 5732 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SCR3 peptide (18-54)' abbreviation 5732 1 'SCR3 peptide (18-54)' common 5732 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 18 SER . 5732 1 2 19 THR . 5732 1 3 20 ARG . 5732 1 4 21 GLU . 5732 1 5 22 ASN . 5732 1 6 23 PHE . 5732 1 7 24 HIS . 5732 1 8 25 TYR . 5732 1 9 26 GLY . 5732 1 10 27 SER . 5732 1 11 28 VAL . 5732 1 12 29 VAL . 5732 1 13 30 THR . 5732 1 14 31 TYR . 5732 1 15 32 ARG . 5732 1 16 33 SER . 5732 1 17 34 ASN . 5732 1 18 35 PRO . 5732 1 19 36 GLY . 5732 1 20 37 SER . 5732 1 21 38 GLY . 5732 1 22 39 GLY . 5732 1 23 40 ARG . 5732 1 24 41 LYS . 5732 1 25 42 VAL . 5732 1 26 43 PHE . 5732 1 27 44 GLU . 5732 1 28 45 LEU . 5732 1 29 46 VAL . 5732 1 30 47 GLY . 5732 1 31 48 GLU . 5732 1 32 49 PRO . 5732 1 33 50 SER . 5732 1 34 51 ILE . 5732 1 35 52 TYR . 5732 1 36 53 SER . 5732 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 . SER 1 1 5732 1 . THR 2 2 5732 1 . ARG 3 3 5732 1 . GLU 4 4 5732 1 . ASN 5 5 5732 1 . PHE 6 6 5732 1 . HIS 7 7 5732 1 . TYR 8 8 5732 1 . GLY 9 9 5732 1 . SER 10 10 5732 1 . VAL 11 11 5732 1 . VAL 12 12 5732 1 . THR 13 13 5732 1 . TYR 14 14 5732 1 . ARG 15 15 5732 1 . SER 16 16 5732 1 . ASN 17 17 5732 1 . PRO 18 18 5732 1 . GLY 19 19 5732 1 . SER 20 20 5732 1 . GLY 21 21 5732 1 . GLY 22 22 5732 1 . ARG 23 23 5732 1 . LYS 24 24 5732 1 . VAL 25 25 5732 1 . PHE 26 26 5732 1 . GLU 27 27 5732 1 . LEU 28 28 5732 1 . VAL 29 29 5732 1 . GLY 30 30 5732 1 . GLU 31 31 5732 1 . PRO 32 32 5732 1 . SER 33 33 5732 1 . ILE 34 34 5732 1 . TYR 35 35 5732 1 . SER 36 36 5732 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 5732 _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 $SCR3_peptide . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5732 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 5732 _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 $SCR3_peptide . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5732 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5732 _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 'SCR3 peptide (18-54)' . . . 1 $SCR3_peptide . . 2 . . mM . . . . 5732 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5732 _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 'SCR3 peptide (18-54)' . . . 1 $SCR3_peptide . . 2 . . mM . . . . 5732 2 2 Trifluorethanol . . . . . . . 80 . . % . . . . 5732 2 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5732 _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 4 . n/a 5732 1 temperature 298 . K 5732 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5732 _Software.ID 1 _Software.Name FELIX _Software.Version '2000 and 2.3' _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 5732 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer 'Home built' _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 5732 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer 'Home built' _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 5732 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 5732 _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 spectrometer_1 'Home built' . . 500 . . . 5732 1 2 spectrometer_2 'Home built' . . 600 . . . 5732 1 3 spectrometer_3 Varian INOVA . 500 . . . 5732 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 5732 _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 TOCSY . . . . . . . . . . . . . . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 5732 1 2 ROESY . . . . . . . . . . . . . . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 5732 1 3 DQFCOSY . . . . . . . . . . . . . . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 5732 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5732 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5732 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 5732 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 . 5732 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 SER HA H 1 4.46 0.02 . 1 . . . . . . . . 5732 1 2 . 1 1 1 1 SER HB2 H 1 3.88 0.02 . 1 . . . . . . . . 5732 1 3 . 1 1 1 1 SER HB3 H 1 3.88 0.02 . 1 . . . . . . . . 5732 1 4 . 1 1 2 2 THR H H 1 8.68 0.02 . 1 . . . . . . . . 5732 1 5 . 1 1 2 2 THR HA H 1 4.40 0.02 . 1 . . . . . . . . 5732 1 6 . 1 1 2 2 THR HB H 1 4.19 0.02 . 1 . . . . . . . . 5732 1 7 . 1 1 2 2 THR HG21 H 1 1.20 0.02 . 1 . . . . . . . . 5732 1 8 . 1 1 2 2 THR HG22 H 1 1.20 0.02 . 1 . . . . . . . . 5732 1 9 . 1 1 2 2 THR HG23 H 1 1.20 0.02 . 1 . . . . . . . . 5732 1 10 . 1 1 3 3 ARG H H 1 8.49 0.02 . 1 . . . . . . . . 5732 1 11 . 1 1 3 3 ARG HA H 1 4.32 0.02 . 1 . . . . . . . . 5732 1 12 . 1 1 3 3 ARG HB2 H 1 2.06 0.02 . 1 . . . . . . . . 5732 1 13 . 1 1 3 3 ARG HB3 H 1 2.06 0.02 . 1 . . . . . . . . 5732 1 14 . 1 1 3 3 ARG HG2 H 1 1.75 0.02 . 1 . . . . . . . . 5732 1 15 . 1 1 3 3 ARG HG3 H 1 1.75 0.02 . 1 . . . . . . . . 5732 1 16 . 1 1 3 3 ARG HD2 H 1 3.15 0.02 . 1 . . . . . . . . 5732 1 17 . 1 1 3 3 ARG HD3 H 1 3.15 0.02 . 1 . . . . . . . . 5732 1 18 . 1 1 3 3 ARG HH11 H 1 7.15 0.02 . 1 . . . . . . . . 5732 1 19 . 1 1 3 3 ARG HH21 H 1 7.15 0.02 . 1 . . . . . . . . 5732 1 20 . 1 1 4 4 GLU H H 1 8.40 0.02 . 1 . . . . . . . . 5732 1 21 . 1 1 4 4 GLU HA H 1 4.29 0.02 . 1 . . . . . . . . 5732 1 22 . 1 1 4 4 GLU HB2 H 1 1.87 0.02 . 1 . . . . . . . . 5732 1 23 . 1 1 4 4 GLU HB3 H 1 1.87 0.02 . 1 . . . . . . . . 5732 1 24 . 1 1 4 4 GLU HG2 H 1 2.33 0.02 . 1 . . . . . . . . 5732 1 25 . 1 1 4 4 GLU HG3 H 1 2.33 0.02 . 1 . . . . . . . . 5732 1 26 . 1 1 5 5 ASN H H 1 8.43 0.02 . 1 . . . . . . . . 5732 1 27 . 1 1 5 5 ASN HA H 1 4.64 0.02 . 1 . . . . . . . . 5732 1 28 . 1 1 5 5 ASN HB2 H 1 2.73 0.02 . 1 . . . . . . . . 5732 1 29 . 1 1 5 5 ASN HB3 H 1 2.65 0.02 . 1 . . . . . . . . 5732 1 30 . 1 1 5 5 ASN HD21 H 1 7.22 0.02 . 1 . . . . . . . . 5732 1 31 . 1 1 5 5 ASN HD22 H 1 7.22 0.02 . 1 . . . . . . . . 5732 1 32 . 1 1 6 6 PHE H H 1 8.12 0.02 . 1 . . . . . . . . 5732 1 33 . 1 1 6 6 PHE HA H 1 4.49 0.02 . 1 . . . . . . . . 5732 1 34 . 1 1 6 6 PHE HB2 H 1 2.88 0.02 . 1 . . . . . . . . 5732 1 35 . 1 1 6 6 PHE HB3 H 1 2.88 0.02 . 1 . . . . . . . . 5732 1 36 . 1 1 6 6 PHE HD1 H 1 7.11 0.02 . 1 . . . . . . . . 5732 1 37 . 1 1 6 6 PHE HD2 H 1 7.11 0.02 . 1 . . . . . . . . 5732 1 38 . 1 1 6 6 PHE HE1 H 1 7.24 0.02 . 1 . . . . . . . . 5732 1 39 . 1 1 6 6 PHE HE2 H 1 7.24 0.02 . 1 . . . . . . . . 5732 1 40 . 1 1 6 6 PHE HZ H 1 7.14 0.02 . 1 . . . . . . . . 5732 1 41 . 1 1 7 7 HIS H H 1 8.24 0.02 . 1 . . . . . . . . 5732 1 42 . 1 1 7 7 HIS HA H 1 4.50 0.02 . 1 . . . . . . . . 5732 1 43 . 1 1 7 7 HIS HB2 H 1 3.05 0.02 . 1 . . . . . . . . 5732 1 44 . 1 1 7 7 HIS HB3 H 1 2.91 0.02 . 1 . . . . . . . . 5732 1 45 . 1 1 7 7 HIS HD1 H 1 8.55 0.02 . 1 . . . . . . . . 5732 1 46 . 1 1 7 7 HIS HE1 H 1 7.14 0.02 . 1 . . . . . . . . 5732 1 47 . 1 1 8 8 TYR H H 1 8.24 0.02 . 1 . . . . . . . . 5732 1 48 . 1 1 8 8 TYR HA H 1 4.60 0.02 . 1 . . . . . . . . 5732 1 49 . 1 1 8 8 TYR HB2 H 1 2.98 0.02 . 1 . . . . . . . . 5732 1 50 . 1 1 8 8 TYR HB3 H 1 2.98 0.02 . 1 . . . . . . . . 5732 1 51 . 1 1 8 8 TYR HD1 H 1 7.07 0.02 . 1 . . . . . . . . 5732 1 52 . 1 1 8 8 TYR HD2 H 1 7.07 0.02 . 1 . . . . . . . . 5732 1 53 . 1 1 8 8 TYR HE1 H 1 6.78 0.02 . 1 . . . . . . . . 5732 1 54 . 1 1 8 8 TYR HE2 H 1 6.78 0.02 . 1 . . . . . . . . 5732 1 55 . 1 1 9 9 GLY H H 1 8.39 0.02 . 1 . . . . . . . . 5732 1 56 . 1 1 9 9 GLY HA2 H 1 3.96 0.02 . 1 . . . . . . . . 5732 1 57 . 1 1 9 9 GLY HA3 H 1 3.89 0.02 . 1 . . . . . . . . 5732 1 58 . 1 1 10 10 SER H H 1 8.17 0.02 . 1 . . . . . . . . 5732 1 59 . 1 1 10 10 SER HA H 1 4.51 0.02 . 1 . . . . . . . . 5732 1 60 . 1 1 10 10 SER HB2 H 1 3.83 0.02 . 1 . . . . . . . . 5732 1 61 . 1 1 10 10 SER HB3 H 1 3.83 0.02 . 1 . . . . . . . . 5732 1 62 . 1 1 11 11 VAL H H 1 8.23 0.02 . 1 . . . . . . . . 5732 1 63 . 1 1 11 11 VAL HA H 1 4.15 0.02 . 1 . . . . . . . . 5732 1 64 . 1 1 11 11 VAL HB H 1 2.04 0.02 . 1 . . . . . . . . 5732 1 65 . 1 1 11 11 VAL HG11 H 1 0.88 0.02 . 1 . . . . . . . . 5732 1 66 . 1 1 11 11 VAL HG12 H 1 0.88 0.02 . 1 . . . . . . . . 5732 1 67 . 1 1 11 11 VAL HG13 H 1 0.88 0.02 . 1 . . . . . . . . 5732 1 68 . 1 1 11 11 VAL HG21 H 1 0.88 0.02 . 1 . . . . . . . . 5732 1 69 . 1 1 11 11 VAL HG22 H 1 0.88 0.02 . 1 . . . . . . . . 5732 1 70 . 1 1 11 11 VAL HG23 H 1 0.88 0.02 . 1 . . . . . . . . 5732 1 71 . 1 1 12 12 VAL H H 1 8.26 0.02 . 1 . . . . . . . . 5732 1 72 . 1 1 12 12 VAL HA H 1 4.12 0.02 . 1 . . . . . . . . 5732 1 73 . 1 1 12 12 VAL HB H 1 1.94 0.02 . 1 . . . . . . . . 5732 1 74 . 1 1 12 12 VAL HG11 H 1 0.86 0.02 . 1 . . . . . . . . 5732 1 75 . 1 1 12 12 VAL HG12 H 1 0.86 0.02 . 1 . . . . . . . . 5732 1 76 . 1 1 12 12 VAL HG13 H 1 0.86 0.02 . 1 . . . . . . . . 5732 1 77 . 1 1 12 12 VAL HG21 H 1 0.77 0.02 . 1 . . . . . . . . 5732 1 78 . 1 1 12 12 VAL HG22 H 1 0.77 0.02 . 1 . . . . . . . . 5732 1 79 . 1 1 12 12 VAL HG23 H 1 0.77 0.02 . 1 . . . . . . . . 5732 1 80 . 1 1 13 13 THR H H 1 8.16 0.02 . 1 . . . . . . . . 5732 1 81 . 1 1 13 13 THR HA H 1 4.32 0.02 . 1 . . . . . . . . 5732 1 82 . 1 1 13 13 THR HB H 1 4.10 0.02 . 1 . . . . . . . . 5732 1 83 . 1 1 13 13 THR HG21 H 1 1.11 0.02 . 1 . . . . . . . . 5732 1 84 . 1 1 13 13 THR HG22 H 1 1.11 0.02 . 1 . . . . . . . . 5732 1 85 . 1 1 13 13 THR HG23 H 1 1.11 0.02 . 1 . . . . . . . . 5732 1 86 . 1 1 14 14 TYR H H 1 8.28 0.02 . 1 . . . . . . . . 5732 1 87 . 1 1 14 14 TYR HA H 1 4.59 0.02 . 1 . . . . . . . . 5732 1 88 . 1 1 14 14 TYR HB2 H 1 3.12 0.02 . 1 . . . . . . . . 5732 1 89 . 1 1 14 14 TYR HB3 H 1 3.02 0.02 . 1 . . . . . . . . 5732 1 90 . 1 1 15 15 ARG H H 1 8.24 0.02 . 1 . . . . . . . . 5732 1 91 . 1 1 15 15 ARG HA H 1 4.33 0.02 . 1 . . . . . . . . 5732 1 92 . 1 1 15 15 ARG HB2 H 1 1.79 0.02 . 1 . . . . . . . . 5732 1 93 . 1 1 15 15 ARG HB3 H 1 1.66 0.02 . 1 . . . . . . . . 5732 1 94 . 1 1 15 15 ARG HG2 H 1 1.53 0.02 . 1 . . . . . . . . 5732 1 95 . 1 1 15 15 ARG HG3 H 1 1.53 0.02 . 1 . . . . . . . . 5732 1 96 . 1 1 15 15 ARG HD2 H 1 3.15 0.02 . 1 . . . . . . . . 5732 1 97 . 1 1 15 15 ARG HD3 H 1 3.15 0.02 . 1 . . . . . . . . 5732 1 98 . 1 1 15 15 ARG HH11 H 1 7.07 0.02 . 1 . . . . . . . . 5732 1 99 . 1 1 15 15 ARG HH21 H 1 7.07 0.02 . 1 . . . . . . . . 5732 1 100 . 1 1 16 16 SER H H 1 8.28 0.02 . 1 . . . . . . . . 5732 1 101 . 1 1 16 16 SER HA H 1 4.39 0.02 . 1 . . . . . . . . 5732 1 102 . 1 1 16 16 SER HB2 H 1 3.81 0.02 . 1 . . . . . . . . 5732 1 103 . 1 1 16 16 SER HB3 H 1 3.81 0.02 . 1 . . . . . . . . 5732 1 104 . 1 1 17 17 ASN H H 1 8.52 0.02 . 1 . . . . . . . . 5732 1 105 . 1 1 17 17 ASN HA H 1 4.99 0.02 . 1 . . . . . . . . 5732 1 106 . 1 1 17 17 ASN HB2 H 1 2.83 0.02 . 1 . . . . . . . . 5732 1 107 . 1 1 17 17 ASN HB3 H 1 2.67 0.02 . 1 . . . . . . . . 5732 1 108 . 1 1 19 19 GLY H H 1 8.45 0.02 . 1 . . . . . . . . 5732 1 109 . 1 1 19 19 GLY HA2 H 1 3.99 0.02 . 1 . . . . . . . . 5732 1 110 . 1 1 19 19 GLY HA3 H 1 3.99 0.02 . 1 . . . . . . . . 5732 1 111 . 1 1 20 20 SER H H 1 8.22 0.02 . 1 . . . . . . . . 5732 1 112 . 1 1 20 20 SER HA H 1 4.46 0.02 . 1 . . . . . . . . 5732 1 113 . 1 1 20 20 SER HB2 H 1 3.94 0.02 . 1 . . . . . . . . 5732 1 114 . 1 1 20 20 SER HB3 H 1 3.88 0.02 . 1 . . . . . . . . 5732 1 115 . 1 1 21 21 GLY H H 1 8.55 0.02 . 1 . . . . . . . . 5732 1 116 . 1 1 21 21 GLY HA2 H 1 3.98 0.02 . 1 . . . . . . . . 5732 1 117 . 1 1 21 21 GLY HA3 H 1 3.98 0.02 . 1 . . . . . . . . 5732 1 118 . 1 1 22 22 GLY H H 1 8.28 0.02 . 1 . . . . . . . . 5732 1 119 . 1 1 22 22 GLY HA2 H 1 3.95 0.02 . 1 . . . . . . . . 5732 1 120 . 1 1 22 22 GLY HA3 H 1 3.95 0.02 . 1 . . . . . . . . 5732 1 121 . 1 1 23 23 ARG H H 1 8.12 0.02 . 1 . . . . . . . . 5732 1 122 . 1 1 23 23 ARG HA H 1 4.31 0.02 . 1 . . . . . . . . 5732 1 123 . 1 1 23 23 ARG HB2 H 1 1.81 0.02 . 1 . . . . . . . . 5732 1 124 . 1 1 23 23 ARG HB3 H 1 1.73 0.02 . 1 . . . . . . . . 5732 1 125 . 1 1 23 23 ARG HG2 H 1 1.82 0.02 . 1 . . . . . . . . 5732 1 126 . 1 1 23 23 ARG HG3 H 1 1.82 0.02 . 1 . . . . . . . . 5732 1 127 . 1 1 23 23 ARG HD2 H 1 3.16 0.02 . 1 . . . . . . . . 5732 1 128 . 1 1 23 23 ARG HD3 H 1 3.16 0.02 . 1 . . . . . . . . 5732 1 129 . 1 1 23 23 ARG HH11 H 1 7.16 0.02 . 1 . . . . . . . . 5732 1 130 . 1 1 23 23 ARG HH21 H 1 7.16 0.02 . 1 . . . . . . . . 5732 1 131 . 1 1 24 24 LYS H H 1 8.39 0.02 . 1 . . . . . . . . 5732 1 132 . 1 1 24 24 LYS HA H 1 4.30 0.02 . 1 . . . . . . . . 5732 1 133 . 1 1 24 24 LYS HB2 H 1 1.66 0.02 . 1 . . . . . . . . 5732 1 134 . 1 1 24 24 LYS HB3 H 1 1.66 0.02 . 1 . . . . . . . . 5732 1 135 . 1 1 24 24 LYS HG2 H 1 1.37 0.02 . 1 . . . . . . . . 5732 1 136 . 1 1 24 24 LYS HG3 H 1 1.28 0.02 . 1 . . . . . . . . 5732 1 137 . 1 1 24 24 LYS HD2 H 1 1.66 0.02 . 1 . . . . . . . . 5732 1 138 . 1 1 24 24 LYS HD3 H 1 1.66 0.02 . 1 . . . . . . . . 5732 1 139 . 1 1 24 24 LYS HE2 H 1 2.93 0.02 . 1 . . . . . . . . 5732 1 140 . 1 1 24 24 LYS HE3 H 1 2.93 0.02 . 1 . . . . . . . . 5732 1 141 . 1 1 24 24 LYS HZ1 H 1 7.52 0.02 . 1 . . . . . . . . 5732 1 142 . 1 1 24 24 LYS HZ2 H 1 7.52 0.02 . 1 . . . . . . . . 5732 1 143 . 1 1 24 24 LYS HZ3 H 1 7.52 0.02 . 1 . . . . . . . . 5732 1 144 . 1 1 25 25 VAL H H 1 8.14 0.02 . 1 . . . . . . . . 5732 1 145 . 1 1 25 25 VAL HA H 1 4.10 0.02 . 1 . . . . . . . . 5732 1 146 . 1 1 25 25 VAL HB H 1 2.04 0.02 . 1 . . . . . . . . 5732 1 147 . 1 1 25 25 VAL HG11 H 1 0.92 0.02 . 1 . . . . . . . . 5732 1 148 . 1 1 25 25 VAL HG12 H 1 0.92 0.02 . 1 . . . . . . . . 5732 1 149 . 1 1 25 25 VAL HG13 H 1 0.92 0.02 . 1 . . . . . . . . 5732 1 150 . 1 1 25 25 VAL HG21 H 1 0.92 0.02 . 1 . . . . . . . . 5732 1 151 . 1 1 25 25 VAL HG22 H 1 0.92 0.02 . 1 . . . . . . . . 5732 1 152 . 1 1 25 25 VAL HG23 H 1 0.92 0.02 . 1 . . . . . . . . 5732 1 153 . 1 1 26 26 PHE H H 1 8.34 0.02 . 1 . . . . . . . . 5732 1 154 . 1 1 26 26 PHE HA H 1 4.63 0.02 . 1 . . . . . . . . 5732 1 155 . 1 1 26 26 PHE HB2 H 1 3.06 0.02 . 1 . . . . . . . . 5732 1 156 . 1 1 26 26 PHE HB3 H 1 2.98 0.02 . 1 . . . . . . . . 5732 1 157 . 1 1 26 26 PHE HD1 H 1 7.21 0.02 . 1 . . . . . . . . 5732 1 158 . 1 1 26 26 PHE HD2 H 1 7.21 0.02 . 1 . . . . . . . . 5732 1 159 . 1 1 26 26 PHE HE1 H 1 7.31 0.02 . 1 . . . . . . . . 5732 1 160 . 1 1 26 26 PHE HE2 H 1 7.31 0.02 . 1 . . . . . . . . 5732 1 161 . 1 1 27 27 GLU H H 1 8.17 0.02 . 1 . . . . . . . . 5732 1 162 . 1 1 27 27 GLU HA H 1 4.37 0.02 . 1 . . . . . . . . 5732 1 163 . 1 1 27 27 GLU HB2 H 1 1.87 0.02 . 1 . . . . . . . . 5732 1 164 . 1 1 27 27 GLU HB3 H 1 1.87 0.02 . 1 . . . . . . . . 5732 1 165 . 1 1 27 27 GLU HG2 H 1 2.34 0.02 . 1 . . . . . . . . 5732 1 166 . 1 1 27 27 GLU HG3 H 1 2.01 0.02 . 1 . . . . . . . . 5732 1 167 . 1 1 28 28 LEU H H 1 8.24 0.02 . 1 . . . . . . . . 5732 1 168 . 1 1 28 28 LEU HA H 1 4.35 0.02 . 1 . . . . . . . . 5732 1 169 . 1 1 28 28 LEU HB2 H 1 1.79 0.02 . 1 . . . . . . . . 5732 1 170 . 1 1 28 28 LEU HB3 H 1 1.66 0.02 . 1 . . . . . . . . 5732 1 171 . 1 1 28 28 LEU HG H 1 1.53 0.02 . 1 . . . . . . . . 5732 1 172 . 1 1 28 28 LEU HD11 H 1 1.12 0.02 . 1 . . . . . . . . 5732 1 173 . 1 1 28 28 LEU HD12 H 1 1.12 0.02 . 1 . . . . . . . . 5732 1 174 . 1 1 28 28 LEU HD13 H 1 1.12 0.02 . 1 . . . . . . . . 5732 1 175 . 1 1 28 28 LEU HD21 H 1 1.12 0.02 . 1 . . . . . . . . 5732 1 176 . 1 1 28 28 LEU HD22 H 1 1.12 0.02 . 1 . . . . . . . . 5732 1 177 . 1 1 28 28 LEU HD23 H 1 1.12 0.02 . 1 . . . . . . . . 5732 1 178 . 1 1 29 29 VAL H H 1 8.08 0.02 . 1 . . . . . . . . 5732 1 179 . 1 1 29 29 VAL HA H 1 4.08 0.02 . 1 . . . . . . . . 5732 1 180 . 1 1 29 29 VAL HB H 1 1.96 0.02 . 1 . . . . . . . . 5732 1 181 . 1 1 29 29 VAL HG11 H 1 0.85 0.02 . 1 . . . . . . . . 5732 1 182 . 1 1 29 29 VAL HG12 H 1 0.85 0.02 . 1 . . . . . . . . 5732 1 183 . 1 1 29 29 VAL HG13 H 1 0.85 0.02 . 1 . . . . . . . . 5732 1 184 . 1 1 29 29 VAL HG21 H 1 0.85 0.02 . 1 . . . . . . . . 5732 1 185 . 1 1 29 29 VAL HG22 H 1 0.85 0.02 . 1 . . . . . . . . 5732 1 186 . 1 1 29 29 VAL HG23 H 1 0.85 0.02 . 1 . . . . . . . . 5732 1 187 . 1 1 30 30 GLY H H 1 8.48 0.02 . 1 . . . . . . . . 5732 1 188 . 1 1 30 30 GLY HA2 H 1 3.92 0.02 . 1 . . . . . . . . 5732 1 189 . 1 1 30 30 GLY HA3 H 1 3.92 0.02 . 1 . . . . . . . . 5732 1 190 . 1 1 31 31 GLU H H 1 8.11 0.02 . 1 . . . . . . . . 5732 1 191 . 1 1 31 31 GLU HA H 1 4.71 0.02 . 1 . . . . . . . . 5732 1 192 . 1 1 31 31 GLU HB2 H 1 1.89 0.02 . 1 . . . . . . . . 5732 1 193 . 1 1 31 31 GLU HB3 H 1 1.89 0.02 . 1 . . . . . . . . 5732 1 194 . 1 1 31 31 GLU HG2 H 1 2.10 0.02 . 2 . . . . . . . . 5732 1 195 . 1 1 31 31 GLU HG3 H 1 2.46 0.02 . 2 . . . . . . . . 5732 1 196 . 1 1 33 33 SER H H 1 8.39 0.02 . 1 . . . . . . . . 5732 1 197 . 1 1 33 33 SER HA H 1 4.43 0.02 . 1 . . . . . . . . 5732 1 198 . 1 1 33 33 SER HB2 H 1 3.85 0.02 . 1 . . . . . . . . 5732 1 199 . 1 1 33 33 SER HB3 H 1 3.79 0.02 . 1 . . . . . . . . 5732 1 200 . 1 1 34 34 ILE H H 1 7.99 0.02 . 1 . . . . . . . . 5732 1 201 . 1 1 34 34 ILE HA H 1 4.15 0.02 . 1 . . . . . . . . 5732 1 202 . 1 1 34 34 ILE HB H 1 1.75 0.02 . 1 . . . . . . . . 5732 1 203 . 1 1 34 34 ILE HG12 H 1 1.01 0.02 . 1 . . . . . . . . 5732 1 204 . 1 1 34 34 ILE HG13 H 1 1.01 0.02 . 1 . . . . . . . . 5732 1 205 . 1 1 34 34 ILE HG21 H 1 1.01 0.02 . 1 . . . . . . . . 5732 1 206 . 1 1 34 34 ILE HG22 H 1 1.01 0.02 . 1 . . . . . . . . 5732 1 207 . 1 1 34 34 ILE HG23 H 1 1.01 0.02 . 1 . . . . . . . . 5732 1 208 . 1 1 34 34 ILE HD11 H 1 0.75 0.02 . 1 . . . . . . . . 5732 1 209 . 1 1 34 34 ILE HD12 H 1 0.75 0.02 . 1 . . . . . . . . 5732 1 210 . 1 1 34 34 ILE HD13 H 1 0.75 0.02 . 1 . . . . . . . . 5732 1 211 . 1 1 35 35 TYR H H 1 8.15 0.02 . 1 . . . . . . . . 5732 1 212 . 1 1 35 35 TYR HA H 1 4.69 0.02 . 1 . . . . . . . . 5732 1 213 . 1 1 35 35 TYR HB2 H 1 3.14 0.02 . 1 . . . . . . . . 5732 1 214 . 1 1 35 35 TYR HB3 H 1 2.84 0.02 . 1 . . . . . . . . 5732 1 215 . 1 1 35 35 TYR HD1 H 1 7.12 0.02 . 1 . . . . . . . . 5732 1 216 . 1 1 35 35 TYR HD2 H 1 7.12 0.02 . 1 . . . . . . . . 5732 1 217 . 1 1 35 35 TYR HE1 H 1 6.15 0.02 . 1 . . . . . . . . 5732 1 218 . 1 1 35 35 TYR HE2 H 1 6.15 0.02 . 1 . . . . . . . . 5732 1 219 . 1 1 36 36 SER H H 1 8.09 0.02 . 1 . . . . . . . . 5732 1 220 . 1 1 36 36 SER HA H 1 4.43 0.02 . 1 . . . . . . . . 5732 1 221 . 1 1 36 36 SER HB2 H 1 3.92 0.02 . 1 . . . . . . . . 5732 1 222 . 1 1 36 36 SER HB3 H 1 3.85 0.02 . 1 . . . . . . . . 5732 1 stop_ save_ save_chemical_shift_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_2 _Assigned_chem_shift_list.Entry_ID 5732 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 . 5732 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 SER HA H 1 4.25 0.02 . 1 . . . . . . . . 5732 2 2 . 1 1 1 1 SER HB2 H 1 4.13 0.02 . 1 . . . . . . . . 5732 2 3 . 1 1 1 1 SER HB3 H 1 4.13 0.02 . 1 . . . . . . . . 5732 2 4 . 1 1 2 2 THR H H 1 8.60 0.02 . 1 . . . . . . . . 5732 2 5 . 1 1 2 2 THR HA H 1 4.33 0.02 . 1 . . . . . . . . 5732 2 6 . 1 1 2 2 THR HB H 1 4.39 0.02 . 1 . . . . . . . . 5732 2 7 . 1 1 2 2 THR HG21 H 1 1.41 0.02 . 1 . . . . . . . . 5732 2 8 . 1 1 2 2 THR HG22 H 1 1.41 0.02 . 1 . . . . . . . . 5732 2 9 . 1 1 2 2 THR HG23 H 1 1.41 0.02 . 1 . . . . . . . . 5732 2 10 . 1 1 3 3 ARG H H 1 8.18 0.02 . 1 . . . . . . . . 5732 2 11 . 1 1 3 3 ARG HA H 1 4.28 0.02 . 1 . . . . . . . . 5732 2 12 . 1 1 3 3 ARG HB2 H 1 1.98 0.02 . 1 . . . . . . . . 5732 2 13 . 1 1 3 3 ARG HB3 H 1 1.93 0.02 . 1 . . . . . . . . 5732 2 14 . 1 1 3 3 ARG HG2 H 1 1.84 0.02 . 1 . . . . . . . . 5732 2 15 . 1 1 3 3 ARG HG3 H 1 1.77 0.02 . 1 . . . . . . . . 5732 2 16 . 1 1 3 3 ARG HD2 H 1 3.25 0.02 . 1 . . . . . . . . 5732 2 17 . 1 1 3 3 ARG HD3 H 1 3.25 0.02 . 1 . . . . . . . . 5732 2 18 . 1 1 3 3 ARG HH11 H 1 7.09 0.02 . 1 . . . . . . . . 5732 2 19 . 1 1 3 3 ARG HH21 H 1 7.09 0.02 . 1 . . . . . . . . 5732 2 20 . 1 1 4 4 GLU H H 1 7.91 0.02 . 1 . . . . . . . . 5732 2 21 . 1 1 4 4 GLU HA H 1 4.30 0.02 . 1 . . . . . . . . 5732 2 22 . 1 1 4 4 GLU HB2 H 1 2.19 0.02 . 1 . . . . . . . . 5732 2 23 . 1 1 4 4 GLU HB3 H 1 2.19 0.02 . 1 . . . . . . . . 5732 2 24 . 1 1 4 4 GLU HG2 H 1 2.54 0.02 . 1 . . . . . . . . 5732 2 25 . 1 1 4 4 GLU HG3 H 1 2.54 0.02 . 1 . . . . . . . . 5732 2 26 . 1 1 5 5 ASN H H 1 8.02 0.02 . 1 . . . . . . . . 5732 2 27 . 1 1 5 5 ASN HA H 1 4.65 0.02 . 1 . . . . . . . . 5732 2 28 . 1 1 5 5 ASN HB2 H 1 2.92 0.02 . 1 . . . . . . . . 5732 2 29 . 1 1 5 5 ASN HB3 H 1 2.92 0.02 . 1 . . . . . . . . 5732 2 30 . 1 1 5 5 ASN HD21 H 1 7.51 0.02 . 1 . . . . . . . . 5732 2 31 . 1 1 5 5 ASN HD22 H 1 6.48 0.02 . 1 . . . . . . . . 5732 2 32 . 1 1 6 6 PHE H H 1 8.08 0.02 . 1 . . . . . . . . 5732 2 33 . 1 1 6 6 PHE HA H 1 4.50 0.02 . 1 . . . . . . . . 5732 2 34 . 1 1 6 6 PHE HB2 H 1 3.18 0.02 . 1 . . . . . . . . 5732 2 35 . 1 1 6 6 PHE HB3 H 1 3.18 0.02 . 1 . . . . . . . . 5732 2 36 . 1 1 6 6 PHE HD1 H 1 7.21 0.02 . 1 . . . . . . . . 5732 2 37 . 1 1 6 6 PHE HD2 H 1 7.21 0.02 . 1 . . . . . . . . 5732 2 38 . 1 1 6 6 PHE HE1 H 1 6.48 0.02 . 1 . . . . . . . . 5732 2 39 . 1 1 6 6 PHE HE2 H 1 6.48 0.02 . 1 . . . . . . . . 5732 2 40 . 1 1 7 7 HIS H H 1 8.23 0.02 . 1 . . . . . . . . 5732 2 41 . 1 1 7 7 HIS HA H 1 4.53 0.02 . 1 . . . . . . . . 5732 2 42 . 1 1 7 7 HIS HB2 H 1 3.37 0.02 . 1 . . . . . . . . 5732 2 43 . 1 1 7 7 HIS HB3 H 1 3.30 0.02 . 1 . . . . . . . . 5732 2 44 . 1 1 7 7 HIS HD1 H 1 8.45 0.02 . 1 . . . . . . . . 5732 2 45 . 1 1 7 7 HIS HE1 H 1 7.03 0.02 . 1 . . . . . . . . 5732 2 46 . 1 1 8 8 TYR H H 1 8.11 0.02 . 1 . . . . . . . . 5732 2 47 . 1 1 8 8 TYR HA H 1 4.34 0.02 . 1 . . . . . . . . 5732 2 48 . 1 1 8 8 TYR HB2 H 1 3.15 0.02 . 1 . . . . . . . . 5732 2 49 . 1 1 8 8 TYR HB3 H 1 3.15 0.02 . 1 . . . . . . . . 5732 2 50 . 1 1 8 8 TYR HD1 H 1 7.12 0.02 . 1 . . . . . . . . 5732 2 51 . 1 1 8 8 TYR HD2 H 1 7.12 0.02 . 1 . . . . . . . . 5732 2 52 . 1 1 8 8 TYR HE1 H 1 6.77 0.02 . 1 . . . . . . . . 5732 2 53 . 1 1 8 8 TYR HE2 H 1 6.77 0.02 . 1 . . . . . . . . 5732 2 54 . 1 1 9 9 GLY H H 1 8.30 0.02 . 1 . . . . . . . . 5732 2 55 . 1 1 9 9 GLY HA2 H 1 3.95 0.02 . 1 . . . . . . . . 5732 2 56 . 1 1 9 9 GLY HA3 H 1 3.84 0.02 . 1 . . . . . . . . 5732 2 57 . 1 1 10 10 SER H H 1 8.00 0.02 . 1 . . . . . . . . 5732 2 58 . 1 1 10 10 SER HA H 1 4.23 0.02 . 1 . . . . . . . . 5732 2 59 . 1 1 10 10 SER HB2 H 1 4.03 0.02 . 1 . . . . . . . . 5732 2 60 . 1 1 10 10 SER HB3 H 1 3.90 0.02 . 1 . . . . . . . . 5732 2 61 . 1 1 11 11 VAL H H 1 7.69 0.02 . 1 . . . . . . . . 5732 2 62 . 1 1 11 11 VAL HA H 1 3.87 0.02 . 1 . . . . . . . . 5732 2 63 . 1 1 11 11 VAL HB H 1 2.27 0.02 . 1 . . . . . . . . 5732 2 64 . 1 1 11 11 VAL HG11 H 1 1.10 0.02 . 1 . . . . . . . . 5732 2 65 . 1 1 11 11 VAL HG12 H 1 1.10 0.02 . 1 . . . . . . . . 5732 2 66 . 1 1 11 11 VAL HG13 H 1 1.10 0.02 . 1 . . . . . . . . 5732 2 67 . 1 1 11 11 VAL HG21 H 1 1.10 0.02 . 1 . . . . . . . . 5732 2 68 . 1 1 11 11 VAL HG22 H 1 1.10 0.02 . 1 . . . . . . . . 5732 2 69 . 1 1 11 11 VAL HG23 H 1 1.10 0.02 . 1 . . . . . . . . 5732 2 70 . 1 1 12 12 VAL H H 1 7.90 0.02 . 1 . . . . . . . . 5732 2 71 . 1 1 12 12 VAL HA H 1 3.79 0.02 . 1 . . . . . . . . 5732 2 72 . 1 1 12 12 VAL HG11 H 1 1.03 0.02 . 1 . . . . . . . . 5732 2 73 . 1 1 12 12 VAL HG12 H 1 1.03 0.02 . 1 . . . . . . . . 5732 2 74 . 1 1 12 12 VAL HG13 H 1 1.03 0.02 . 1 . . . . . . . . 5732 2 75 . 1 1 12 12 VAL HG21 H 1 1.03 0.02 . 1 . . . . . . . . 5732 2 76 . 1 1 12 12 VAL HG22 H 1 1.03 0.02 . 1 . . . . . . . . 5732 2 77 . 1 1 12 12 VAL HG23 H 1 1.03 0.02 . 1 . . . . . . . . 5732 2 78 . 1 1 13 13 THR H H 1 7.91 0.02 . 1 . . . . . . . . 5732 2 79 . 1 1 13 13 THR HA H 1 4.06 0.02 . 1 . . . . . . . . 5732 2 80 . 1 1 13 13 THR HG21 H 1 1.34 0.02 . 1 . . . . . . . . 5732 2 81 . 1 1 13 13 THR HG22 H 1 1.34 0.02 . 1 . . . . . . . . 5732 2 82 . 1 1 13 13 THR HG23 H 1 1.34 0.02 . 1 . . . . . . . . 5732 2 83 . 1 1 14 14 TYR H H 1 7.98 0.02 . 1 . . . . . . . . 5732 2 84 . 1 1 14 14 TYR HA H 1 4.38 0.02 . 1 . . . . . . . . 5732 2 85 . 1 1 14 14 TYR HB2 H 1 3.22 0.02 . 1 . . . . . . . . 5732 2 86 . 1 1 14 14 TYR HB3 H 1 3.22 0.02 . 1 . . . . . . . . 5732 2 87 . 1 1 14 14 TYR HD1 H 1 7.11 0.02 . 1 . . . . . . . . 5732 2 88 . 1 1 14 14 TYR HD2 H 1 7.11 0.02 . 1 . . . . . . . . 5732 2 89 . 1 1 14 14 TYR HE1 H 1 6.76 0.02 . 1 . . . . . . . . 5732 2 90 . 1 1 14 14 TYR HE2 H 1 6.76 0.02 . 1 . . . . . . . . 5732 2 91 . 1 1 15 15 ARG H H 1 8.21 0.02 . 1 . . . . . . . . 5732 2 92 . 1 1 15 15 ARG HA H 1 4.18 0.02 . 1 . . . . . . . . 5732 2 93 . 1 1 15 15 ARG HB2 H 1 1.98 0.02 . 1 . . . . . . . . 5732 2 94 . 1 1 15 15 ARG HB3 H 1 1.98 0.02 . 1 . . . . . . . . 5732 2 95 . 1 1 15 15 ARG HD2 H 1 3.21 0.02 . 1 . . . . . . . . 5732 2 96 . 1 1 15 15 ARG HD3 H 1 3.21 0.02 . 1 . . . . . . . . 5732 2 97 . 1 1 15 15 ARG HH11 H 1 7.06 0.02 . 1 . . . . . . . . 5732 2 98 . 1 1 15 15 ARG HH21 H 1 7.06 0.02 . 1 . . . . . . . . 5732 2 99 . 1 1 16 16 SER H H 1 7.81 0.02 . 1 . . . . . . . . 5732 2 100 . 1 1 16 16 SER HA H 1 4.45 0.02 . 1 . . . . . . . . 5732 2 101 . 1 1 16 16 SER HB2 H 1 4.02 0.02 . 1 . . . . . . . . 5732 2 102 . 1 1 16 16 SER HB3 H 1 3.96 0.02 . 1 . . . . . . . . 5732 2 103 . 1 1 17 17 ASN H H 1 7.74 0.02 . 1 . . . . . . . . 5732 2 104 . 1 1 17 17 ASN HA H 1 4.97 0.02 . 1 . . . . . . . . 5732 2 105 . 1 1 17 17 ASN HB2 H 1 3.02 0.02 . 1 . . . . . . . . 5732 2 106 . 1 1 17 17 ASN HB3 H 1 2.89 0.02 . 1 . . . . . . . . 5732 2 107 . 1 1 17 17 ASN HD21 H 1 7.51 0.02 . 1 . . . . . . . . 5732 2 108 . 1 1 17 17 ASN HD22 H 1 6.48 0.02 . 1 . . . . . . . . 5732 2 109 . 1 1 18 18 PRO HA H 1 4.41 0.02 . 1 . . . . . . . . 5732 2 110 . 1 1 18 18 PRO HB2 H 1 1.67 0.02 . 1 . . . . . . . . 5732 2 111 . 1 1 18 18 PRO HB3 H 1 1.82 0.02 . 1 . . . . . . . . 5732 2 112 . 1 1 18 18 PRO HG2 H 1 1.73 0.02 . 1 . . . . . . . . 5732 2 113 . 1 1 18 18 PRO HG3 H 1 1.73 0.02 . 1 . . . . . . . . 5732 2 114 . 1 1 18 18 PRO HD2 H 1 3.99 0.02 . 1 . . . . . . . . 5732 2 115 . 1 1 18 18 PRO HD3 H 1 3.87 0.02 . 1 . . . . . . . . 5732 2 116 . 1 1 19 19 GLY H H 1 8.42 0.02 . 1 . . . . . . . . 5732 2 117 . 1 1 19 19 GLY HA2 H 1 4.08 0.02 . 1 . . . . . . . . 5732 2 118 . 1 1 19 19 GLY HA3 H 1 3.91 0.02 . 1 . . . . . . . . 5732 2 119 . 1 1 20 20 SER H H 1 7.98 0.02 . 1 . . . . . . . . 5732 2 120 . 1 1 20 20 SER HA H 1 4.38 0.02 . 1 . . . . . . . . 5732 2 121 . 1 1 20 20 SER HB2 H 1 4.00 0.02 . 1 . . . . . . . . 5732 2 122 . 1 1 20 20 SER HB3 H 1 3.89 0.02 . 1 . . . . . . . . 5732 2 123 . 1 1 21 21 GLY H H 1 8.24 0.02 . 1 . . . . . . . . 5732 2 124 . 1 1 21 21 GLY HA2 H 1 3.99 0.02 . 1 . . . . . . . . 5732 2 125 . 1 1 21 21 GLY HA3 H 1 3.99 0.02 . 1 . . . . . . . . 5732 2 126 . 1 1 22 22 GLY H H 1 8.10 0.02 . 1 . . . . . . . . 5732 2 127 . 1 1 22 22 GLY HA2 H 1 3.96 0.02 . 1 . . . . . . . . 5732 2 128 . 1 1 22 22 GLY HA3 H 1 3.96 0.02 . 1 . . . . . . . . 5732 2 129 . 1 1 23 23 ARG H H 1 7.80 0.02 . 1 . . . . . . . . 5732 2 130 . 1 1 23 23 ARG HA H 1 4.30 0.02 . 1 . . . . . . . . 5732 2 131 . 1 1 23 23 ARG HB2 H 1 2.00 0.02 . 1 . . . . . . . . 5732 2 132 . 1 1 23 23 ARG HB3 H 1 2.00 0.02 . 1 . . . . . . . . 5732 2 133 . 1 1 23 23 ARG HG2 H 1 1.82 0.02 . 1 . . . . . . . . 5732 2 134 . 1 1 23 23 ARG HG3 H 1 1.82 0.02 . 1 . . . . . . . . 5732 2 135 . 1 1 23 23 ARG HD2 H 1 3.27 0.02 . 1 . . . . . . . . 5732 2 136 . 1 1 23 23 ARG HD3 H 1 3.27 0.02 . 1 . . . . . . . . 5732 2 137 . 1 1 23 23 ARG HH11 H 1 7.07 0.02 . 1 . . . . . . . . 5732 2 138 . 1 1 23 23 ARG HH21 H 1 7.07 0.02 . 1 . . . . . . . . 5732 2 139 . 1 1 24 24 LYS H H 1 7.86 0.02 . 1 . . . . . . . . 5732 2 140 . 1 1 24 24 LYS HA H 1 4.29 0.02 . 1 . . . . . . . . 5732 2 141 . 1 1 24 24 LYS HB2 H 1 1.91 0.02 . 1 . . . . . . . . 5732 2 142 . 1 1 24 24 LYS HB3 H 1 1.91 0.02 . 1 . . . . . . . . 5732 2 143 . 1 1 24 24 LYS HG2 H 1 1.60 0.02 . 1 . . . . . . . . 5732 2 144 . 1 1 24 24 LYS HG3 H 1 1.60 0.02 . 1 . . . . . . . . 5732 2 145 . 1 1 24 24 LYS HD2 H 1 1.84 0.02 . 1 . . . . . . . . 5732 2 146 . 1 1 24 24 LYS HD3 H 1 1.84 0.02 . 1 . . . . . . . . 5732 2 147 . 1 1 24 24 LYS HE2 H 1 3.26 0.02 . 1 . . . . . . . . 5732 2 148 . 1 1 24 24 LYS HE3 H 1 3.16 0.02 . 1 . . . . . . . . 5732 2 149 . 1 1 24 24 LYS HZ1 H 1 6.85 0.02 . 1 . . . . . . . . 5732 2 150 . 1 1 24 24 LYS HZ2 H 1 6.85 0.02 . 1 . . . . . . . . 5732 2 151 . 1 1 24 24 LYS HZ3 H 1 6.85 0.02 . 1 . . . . . . . . 5732 2 152 . 1 1 25 25 VAL H H 1 7.62 0.02 . 1 . . . . . . . . 5732 2 153 . 1 1 25 25 VAL HA H 1 3.91 0.02 . 1 . . . . . . . . 5732 2 154 . 1 1 25 25 VAL HB H 1 2.15 0.02 . 1 . . . . . . . . 5732 2 155 . 1 1 25 25 VAL HG11 H 1 1.07 0.02 . 1 . . . . . . . . 5732 2 156 . 1 1 25 25 VAL HG12 H 1 1.07 0.02 . 1 . . . . . . . . 5732 2 157 . 1 1 25 25 VAL HG13 H 1 1.07 0.02 . 1 . . . . . . . . 5732 2 158 . 1 1 25 25 VAL HG21 H 1 0.97 0.02 . 1 . . . . . . . . 5732 2 159 . 1 1 25 25 VAL HG22 H 1 0.97 0.02 . 1 . . . . . . . . 5732 2 160 . 1 1 25 25 VAL HG23 H 1 0.97 0.02 . 1 . . . . . . . . 5732 2 161 . 1 1 26 26 PHE H H 1 7.57 0.02 . 1 . . . . . . . . 5732 2 162 . 1 1 26 26 PHE HA H 1 4.49 0.02 . 1 . . . . . . . . 5732 2 163 . 1 1 26 26 PHE HB2 H 1 3.17 0.02 . 1 . . . . . . . . 5732 2 164 . 1 1 26 26 PHE HB3 H 1 3.17 0.02 . 1 . . . . . . . . 5732 2 165 . 1 1 26 26 PHE HD1 H 1 7.24 0.02 . 1 . . . . . . . . 5732 2 166 . 1 1 26 26 PHE HD2 H 1 7.24 0.02 . 1 . . . . . . . . 5732 2 167 . 1 1 26 26 PHE HE1 H 1 7.25 0.02 . 1 . . . . . . . . 5732 2 168 . 1 1 26 26 PHE HE2 H 1 7.25 0.02 . 1 . . . . . . . . 5732 2 169 . 1 1 27 27 GLU H H 1 7.86 0.02 . 1 . . . . . . . . 5732 2 170 . 1 1 27 27 GLU HA H 1 4.29 0.02 . 1 . . . . . . . . 5732 2 171 . 1 1 27 27 GLU HB2 H 1 2.25 0.02 . 1 . . . . . . . . 5732 2 172 . 1 1 27 27 GLU HB3 H 1 2.25 0.02 . 1 . . . . . . . . 5732 2 173 . 1 1 27 27 GLU HG2 H 1 2.57 0.02 . 1 . . . . . . . . 5732 2 174 . 1 1 27 27 GLU HG3 H 1 2.57 0.02 . 1 . . . . . . . . 5732 2 175 . 1 1 28 28 LEU H H 1 7.80 0.02 . 1 . . . . . . . . 5732 2 176 . 1 1 28 28 LEU HA H 1 4.32 0.02 . 1 . . . . . . . . 5732 2 177 . 1 1 28 28 LEU HB2 H 1 1.91 0.02 . 1 . . . . . . . . 5732 2 178 . 1 1 28 28 LEU HB3 H 1 1.91 0.02 . 1 . . . . . . . . 5732 2 179 . 1 1 28 28 LEU HG H 1 1.75 0.02 . 1 . . . . . . . . 5732 2 180 . 1 1 28 28 LEU HD11 H 1 1.02 0.02 . 1 . . . . . . . . 5732 2 181 . 1 1 28 28 LEU HD12 H 1 1.02 0.02 . 1 . . . . . . . . 5732 2 182 . 1 1 28 28 LEU HD13 H 1 1.02 0.02 . 1 . . . . . . . . 5732 2 183 . 1 1 28 28 LEU HD21 H 1 1.02 0.02 . 1 . . . . . . . . 5732 2 184 . 1 1 28 28 LEU HD22 H 1 1.02 0.02 . 1 . . . . . . . . 5732 2 185 . 1 1 28 28 LEU HD23 H 1 1.02 0.02 . 1 . . . . . . . . 5732 2 186 . 1 1 29 29 VAL H H 1 7.71 0.02 . 1 . . . . . . . . 5732 2 187 . 1 1 29 29 VAL HA H 1 4.15 0.02 . 1 . . . . . . . . 5732 2 188 . 1 1 29 29 VAL HB H 1 2.28 0.02 . 1 . . . . . . . . 5732 2 189 . 1 1 29 29 VAL HG11 H 1 1.11 0.02 . 1 . . . . . . . . 5732 2 190 . 1 1 29 29 VAL HG12 H 1 1.11 0.02 . 1 . . . . . . . . 5732 2 191 . 1 1 29 29 VAL HG13 H 1 1.11 0.02 . 1 . . . . . . . . 5732 2 192 . 1 1 29 29 VAL HG21 H 1 1.11 0.02 . 1 . . . . . . . . 5732 2 193 . 1 1 29 29 VAL HG22 H 1 1.11 0.02 . 1 . . . . . . . . 5732 2 194 . 1 1 29 29 VAL HG23 H 1 1.11 0.02 . 1 . . . . . . . . 5732 2 195 . 1 1 30 30 GLY H H 1 7.95 0.02 . 1 . . . . . . . . 5732 2 196 . 1 1 30 30 GLY HA2 H 1 3.94 0.02 . 1 . . . . . . . . 5732 2 197 . 1 1 30 30 GLY HA3 H 1 3.94 0.02 . 1 . . . . . . . . 5732 2 198 . 1 1 31 31 GLU H H 1 7.74 0.02 . 1 . . . . . . . . 5732 2 199 . 1 1 31 31 GLU HA H 1 4.69 0.02 . 1 . . . . . . . . 5732 2 200 . 1 1 31 31 GLU HB2 H 1 2.27 0.02 . 1 . . . . . . . . 5732 2 201 . 1 1 31 31 GLU HB3 H 1 2.13 0.02 . 1 . . . . . . . . 5732 2 202 . 1 1 31 31 GLU HG2 H 1 2.59 0.02 . 1 . . . . . . . . 5732 2 203 . 1 1 31 31 GLU HG3 H 1 2.59 0.02 . 1 . . . . . . . . 5732 2 204 . 1 1 32 32 PRO HA H 1 4.45 0.02 . 1 . . . . . . . . 5732 2 205 . 1 1 32 32 PRO HB2 H 1 2.31 0.02 . 1 . . . . . . . . 5732 2 206 . 1 1 32 32 PRO HB3 H 1 1.96 0.02 . 1 . . . . . . . . 5732 2 207 . 1 1 32 32 PRO HG2 H 1 2.11 0.02 . 1 . . . . . . . . 5732 2 208 . 1 1 32 32 PRO HG3 H 1 2.05 0.02 . 1 . . . . . . . . 5732 2 209 . 1 1 32 32 PRO HD2 H 1 3.83 0.02 . 1 . . . . . . . . 5732 2 210 . 1 1 32 32 PRO HD3 H 1 3.71 0.02 . 1 . . . . . . . . 5732 2 211 . 1 1 33 33 SER H H 1 7.94 0.02 . 1 . . . . . . . . 5732 2 212 . 1 1 33 33 SER HA H 1 4.47 0.02 . 1 . . . . . . . . 5732 2 213 . 1 1 33 33 SER HB2 H 1 3.98 0.02 . 1 . . . . . . . . 5732 2 214 . 1 1 33 33 SER HB3 H 1 3.90 0.02 . 1 . . . . . . . . 5732 2 215 . 1 1 34 34 ILE H H 1 7.59 0.02 . 1 . . . . . . . . 5732 2 216 . 1 1 34 34 ILE HA H 1 4.15 0.02 . 1 . . . . . . . . 5732 2 217 . 1 1 34 34 ILE HB H 1 1.90 0.02 . 1 . . . . . . . . 5732 2 218 . 1 1 34 34 ILE HG12 H 1 1.26 0.02 . 1 . . . . . . . . 5732 2 219 . 1 1 34 34 ILE HG13 H 1 1.26 0.02 . 1 . . . . . . . . 5732 2 220 . 1 1 34 34 ILE HG21 H 1 0.88 0.02 . 1 . . . . . . . . 5732 2 221 . 1 1 34 34 ILE HG22 H 1 0.88 0.02 . 1 . . . . . . . . 5732 2 222 . 1 1 34 34 ILE HG23 H 1 0.88 0.02 . 1 . . . . . . . . 5732 2 223 . 1 1 34 34 ILE HD11 H 1 1.17 0.02 . 1 . . . . . . . . 5732 2 224 . 1 1 34 34 ILE HD12 H 1 1.17 0.02 . 1 . . . . . . . . 5732 2 225 . 1 1 34 34 ILE HD13 H 1 1.17 0.02 . 1 . . . . . . . . 5732 2 226 . 1 1 35 35 TYR H H 1 7.59 0.02 . 1 . . . . . . . . 5732 2 227 . 1 1 35 35 TYR HA H 1 4.69 0.02 . 1 . . . . . . . . 5732 2 228 . 1 1 35 35 TYR HB2 H 1 3.26 0.02 . 1 . . . . . . . . 5732 2 229 . 1 1 35 35 TYR HB3 H 1 2.94 0.02 . 1 . . . . . . . . 5732 2 230 . 1 1 35 35 TYR HD1 H 1 7.13 0.02 . 1 . . . . . . . . 5732 2 231 . 1 1 35 35 TYR HD2 H 1 7.13 0.02 . 1 . . . . . . . . 5732 2 232 . 1 1 35 35 TYR HE1 H 1 6.77 0.02 . 1 . . . . . . . . 5732 2 233 . 1 1 35 35 TYR HE2 H 1 6.77 0.02 . 1 . . . . . . . . 5732 2 234 . 1 1 36 36 SER H H 1 7.66 0.02 . 1 . . . . . . . . 5732 2 235 . 1 1 36 36 SER HA H 1 4.56 0.02 . 1 . . . . . . . . 5732 2 236 . 1 1 36 36 SER HB2 H 1 4.05 0.02 . 1 . . . . . . . . 5732 2 237 . 1 1 36 36 SER HB3 H 1 3.97 0.02 . 1 . . . . . . . . 5732 2 stop_ save_