data_6741 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6741 _Entry.Title ; NMR Structure of Mini-B, an N-terminal - C-terminal construct from Surfactant Protein B (SP-B), in Sodium Dodecyl Sulfate (SDS) and Hexafluoroisopropanol (HFIP) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-07-21 _Entry.Accession_date 2005-08-11 _Entry.Last_release_date . _Entry.Original_release_date . _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 V. Booth . . . 6741 2 M. Sarker . . . 6741 3 K. Keough . M.W. . 6741 4 A. Waring . J. . 6741 5 F. Walther . J. . 6741 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 6741 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 554 6741 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 . . 2007-11-14 . update BMRB 'complete the entry citation' 6741 2 . . 2007-06-19 . update author 'addition of chemical shifts in HFIP' 6741 3 . . 2007-03-27 . original author 'original release' 6741 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6741 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17845058 _Citation.Full_citation . _Citation.Title 'Structure of mini-B, a functional fragment of surfactant protein B, in detergent micelles' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 39 _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 11047 _Citation.Page_last 11056 _Citation.Year 2007 _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 M. Sarker . . . 6741 1 2 A. Waring . J. . 6741 1 3 F. Walther . J. . 6741 1 4 K. Keough . M.W. . 6741 1 5 V. Booth . . . 6741 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Mini-B 6741 1 SP-B 6741 1 'Surfactant Protein B' 6741 1 'lipid associated protein' 6741 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SP-B _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SP-B _Assembly.Entry_ID 6741 _Assembly.ID 1 _Assembly.Name 'Pulmonary surfactant-associated protein B' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6741 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 'Pulmonary surfactant-associated protein B' 1 $SP-B . . . native . . . . . 6741 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2JOU . . . . . . 6741 1 . PDB 2DWF . . . . . . 6741 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Pulmonary surfactant-associated protein B' system 6741 1 SP-B abbreviation 6741 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SP-B _Entity.Sf_category entity _Entity.Sf_framecode SP-B _Entity.Entry_ID 6741 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Pulmonary surfactant-associated protein B' _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 ; CWLCRALIKRIQAMIPKGGR MLPQLVCRLVLRCS ; _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 34 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1DFW . "Conformational Mapping Of The N-Terminal Segment Of Surfactant Protein B In Lipid Using 13c-Enhanced Fourier Transform Infrared" . . . . . 52.94 25 100.00 100.00 1.01e-02 . . . . 6741 1 2 no PDB 1SSZ . "Conformational Mapping Of Mini-B: An N-TerminalC-Terminal Construct Of Surfactant Protein B Using 13c-Enhanced Fourier Transfor" . . . . . 100.00 34 100.00 100.00 1.58e-13 . . . . 6741 1 3 no PDB 2DWF . "Nmr Structure Of Mini-B, An N-Terminal- C-Terminal Construct From Human Surfactant Protein B (Sp-B), In Sodium Dodecyl Sulfate " . . . . . 100.00 34 100.00 100.00 1.58e-13 . . . . 6741 1 4 no PDB 2JOU . "Nmr Structure Of Mini-B, An N-Terminal- C-Terminal Construct From Human Surfactant Protein-B (Sp-B), In Hexafluoroisopropanol (" . . . . . 100.00 34 100.00 100.00 1.58e-13 . . . . 6741 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Pulmonary surfactant-associated protein B' common 6741 1 SP-B abbreviation 6741 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 . CYS . 6741 1 2 . TRP . 6741 1 3 . LEU . 6741 1 4 . CYS . 6741 1 5 . ARG . 6741 1 6 . ALA . 6741 1 7 . LEU . 6741 1 8 . ILE . 6741 1 9 . LYS . 6741 1 10 . ARG . 6741 1 11 . ILE . 6741 1 12 . GLN . 6741 1 13 . ALA . 6741 1 14 . MET . 6741 1 15 . ILE . 6741 1 16 . PRO . 6741 1 17 . LYS . 6741 1 18 . GLY . 6741 1 19 . GLY . 6741 1 20 . ARG . 6741 1 21 . MET . 6741 1 22 . LEU . 6741 1 23 . PRO . 6741 1 24 . GLN . 6741 1 25 . LEU . 6741 1 26 . VAL . 6741 1 27 . CYS . 6741 1 28 . ARG . 6741 1 29 . LEU . 6741 1 30 . VAL . 6741 1 31 . LEU . 6741 1 32 . ARG . 6741 1 33 . CYS . 6741 1 34 . SER . 6741 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 . CYS 1 1 6741 1 . TRP 2 2 6741 1 . LEU 3 3 6741 1 . CYS 4 4 6741 1 . ARG 5 5 6741 1 . ALA 6 6 6741 1 . LEU 7 7 6741 1 . ILE 8 8 6741 1 . LYS 9 9 6741 1 . ARG 10 10 6741 1 . ILE 11 11 6741 1 . GLN 12 12 6741 1 . ALA 13 13 6741 1 . MET 14 14 6741 1 . ILE 15 15 6741 1 . PRO 16 16 6741 1 . LYS 17 17 6741 1 . GLY 18 18 6741 1 . GLY 19 19 6741 1 . ARG 20 20 6741 1 . MET 21 21 6741 1 . LEU 22 22 6741 1 . PRO 23 23 6741 1 . GLN 24 24 6741 1 . LEU 25 25 6741 1 . VAL 26 26 6741 1 . CYS 27 27 6741 1 . ARG 28 28 6741 1 . LEU 29 29 6741 1 . VAL 30 30 6741 1 . LEU 31 31 6741 1 . ARG 32 32 6741 1 . CYS 33 33 6741 1 . SER 34 34 6741 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 6741 _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 $SP-B . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6741 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 6741 _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 $SP-B . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6741 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6741 _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 'Pulmonary surfactant-associated protein B' '[15N]-Leu(3,7,22,25,29,31), Ala(6,13), and Gly(18)' . . 1 $SP-B . . 1.5 . . mM . . . . 6741 1 2 SDS . . . . . . . 150 . . mM . . . . 6741 1 3 DSS . . . . . . . 0.4 . . mM . . . . 6741 1 4 NaN3 . . . . . . . 0.2 . . mM . . . . 6741 1 5 H2O . . . . . . . 90 . . % . . . . 6741 1 6 D2O . . . . . . . 10 . . % . . . . 6741 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6741 _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 'Pulmonary surfactant-associated protein B' '[15N]-Leu(3,7,22,25,29,31), Ala(6,13), and Gly(18)' . . 1 $SP-B . . 1.5 . . mM . . . . 6741 2 2 HFIP . . . . . . . 40 . . mM . . . . 6741 2 3 DSS . . . . . . . 0.4 . . mM . . . . 6741 2 4 NaN3 . . . . . . . 0.2 . . mM . . . . 6741 2 5 H2O . . . . . . . 90 . . % . . . . 6741 2 6 D2O . . . . . . . 10 . . % . . . . 6741 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6741 _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 5 . pH 6741 1 temperature 318 . K 6741 1 'ionic strength' 0 . M 6741 1 pressure 1 . atm 6741 1 stop_ save_ save_sample_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_2 _Sample_condition_list.Entry_ID 6741 _Sample_condition_list.ID 2 _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 5 . pH 6741 2 temperature 288 . K 6741 2 'ionic strength' 0 . M 6741 2 pressure 1 . atm 6741 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6741 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.2 _Software.Details Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6741 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6741 _Software.ID 2 _Software.Name Sparky _Software.Version 3.110 _Software.Details 'Goddard and Kneller' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6741 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 6741 _Software.ID 3 _Software.Name CNS _Software.Version 1.1 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6741 3 stop_ save_ save_MOLMOL _Software.Sf_category software _Software.Sf_framecode MOLMOL _Software.Entry_ID 6741 _Software.ID 4 _Software.Name MOLMOL _Software.Version 2K.2 _Software.Details Koradi loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6741 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6741 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _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 6741 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker AVANCE . 500 . . . 6741 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 6741 _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 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6741 1 2 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6741 1 3 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6741 1 4 '3D 15N-separated TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6741 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 6741 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6741 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ 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 6741 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6741 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 15N-separated 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 6741 _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 . . 1.0 . . . . . . . . . 6741 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6741 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6741 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 CYS H H 1 7.449 0.000 . 1 . . . . . . . . 6741 1 2 . 1 1 1 1 CYS HA H 1 4.378 0.002 . 1 . . . . . . . . 6741 1 3 . 1 1 1 1 CYS HB2 H 1 3.353 0.000 . 2 . . . . . . . . 6741 1 4 . 1 1 1 1 CYS HB3 H 1 3.429 0.002 . 2 . . . . . . . . 6741 1 5 . 1 1 2 2 TRP H H 1 8.978 0.009 . 1 . . . . . . . . 6741 1 6 . 1 1 2 2 TRP HA H 1 4.606 0.006 . 1 . . . . . . . . 6741 1 7 . 1 1 2 2 TRP HB2 H 1 3.422 0.004 . 1 . . . . . . . . 6741 1 8 . 1 1 2 2 TRP HB3 H 1 3.422 0.004 . 1 . . . . . . . . 6741 1 9 . 1 1 2 2 TRP HD1 H 1 7.407 0.002 . 1 . . . . . . . . 6741 1 10 . 1 1 2 2 TRP HE1 H 1 9.965 0.003 . 1 . . . . . . . . 6741 1 11 . 1 1 2 2 TRP HE3 H 1 7.537 0.006 . 1 . . . . . . . . 6741 1 12 . 1 1 2 2 TRP HZ2 H 1 7.486 0.010 . 1 . . . . . . . . 6741 1 13 . 1 1 2 2 TRP HZ3 H 1 7.031 0.005 . 1 . . . . . . . . 6741 1 14 . 1 1 2 2 TRP HH2 H 1 7.140 0.004 . 1 . . . . . . . . 6741 1 15 . 1 1 3 3 LEU H H 1 7.540 0.002 . 1 . . . . . . . . 6741 1 16 . 1 1 3 3 LEU HA H 1 3.864 0.005 . 1 . . . . . . . . 6741 1 17 . 1 1 3 3 LEU HB2 H 1 1.487 0.004 . 2 . . . . . . . . 6741 1 18 . 1 1 3 3 LEU HB3 H 1 1.598 0.005 . 2 . . . . . . . . 6741 1 19 . 1 1 3 3 LEU HD11 H 1 0.777 0.008 . 1 . . . . . . . . 6741 1 20 . 1 1 3 3 LEU HD12 H 1 0.777 0.008 . 1 . . . . . . . . 6741 1 21 . 1 1 3 3 LEU HD13 H 1 0.777 0.008 . 1 . . . . . . . . 6741 1 22 . 1 1 3 3 LEU HD21 H 1 0.777 0.008 . 1 . . . . . . . . 6741 1 23 . 1 1 3 3 LEU HD22 H 1 0.777 0.008 . 1 . . . . . . . . 6741 1 24 . 1 1 3 3 LEU HD23 H 1 0.777 0.008 . 1 . . . . . . . . 6741 1 25 . 1 1 4 4 CYS H H 1 8.273 0.006 . 1 . . . . . . . . 6741 1 26 . 1 1 4 4 CYS HA H 1 4.587 0.003 . 1 . . . . . . . . 6741 1 27 . 1 1 4 4 CYS HB2 H 1 2.944 0.000 . 2 . . . . . . . . 6741 1 28 . 1 1 4 4 CYS HB3 H 1 3.225 0.000 . 2 . . . . . . . . 6741 1 29 . 1 1 5 5 ARG H H 1 7.628 0.007 . 1 . . . . . . . . 6741 1 30 . 1 1 5 5 ARG HA H 1 4.024 0.003 . 1 . . . . . . . . 6741 1 31 . 1 1 5 5 ARG HB2 H 1 1.978 0.007 . 1 . . . . . . . . 6741 1 32 . 1 1 5 5 ARG HB3 H 1 1.978 0.007 . 1 . . . . . . . . 6741 1 33 . 1 1 5 5 ARG HG2 H 1 1.772 0.003 . 1 . . . . . . . . 6741 1 34 . 1 1 5 5 ARG HG3 H 1 1.772 0.003 . 1 . . . . . . . . 6741 1 35 . 1 1 5 5 ARG HD2 H 1 3.220 0.005 . 1 . . . . . . . . 6741 1 36 . 1 1 5 5 ARG HD3 H 1 3.220 0.005 . 1 . . . . . . . . 6741 1 37 . 1 1 5 5 ARG HE H 1 7.043 0.002 . 1 . . . . . . . . 6741 1 38 . 1 1 6 6 ALA H H 1 7.908 0.004 . 1 . . . . . . . . 6741 1 39 . 1 1 6 6 ALA HA H 1 4.035 0.004 . 1 . . . . . . . . 6741 1 40 . 1 1 6 6 ALA HB1 H 1 1.322 0.006 . 1 . . . . . . . . 6741 1 41 . 1 1 6 6 ALA HB2 H 1 1.322 0.006 . 1 . . . . . . . . 6741 1 42 . 1 1 6 6 ALA HB3 H 1 1.322 0.006 . 1 . . . . . . . . 6741 1 43 . 1 1 7 7 LEU H H 1 7.981 0.006 . 1 . . . . . . . . 6741 1 44 . 1 1 7 7 LEU HA H 1 4.030 0.006 . 1 . . . . . . . . 6741 1 45 . 1 1 7 7 LEU HB2 H 1 1.671 0.008 . 2 . . . . . . . . 6741 1 46 . 1 1 7 7 LEU HB3 H 1 1.711 0.012 . 2 . . . . . . . . 6741 1 47 . 1 1 7 7 LEU HD11 H 1 0.901 0.006 . 1 . . . . . . . . 6741 1 48 . 1 1 7 7 LEU HD12 H 1 0.901 0.006 . 1 . . . . . . . . 6741 1 49 . 1 1 7 7 LEU HD13 H 1 0.901 0.006 . 1 . . . . . . . . 6741 1 50 . 1 1 7 7 LEU HD21 H 1 0.858 0.010 . 1 . . . . . . . . 6741 1 51 . 1 1 7 7 LEU HD22 H 1 0.858 0.010 . 1 . . . . . . . . 6741 1 52 . 1 1 7 7 LEU HD23 H 1 0.858 0.010 . 1 . . . . . . . . 6741 1 53 . 1 1 8 8 ILE H H 1 7.755 0.010 . 1 . . . . . . . . 6741 1 54 . 1 1 8 8 ILE HA H 1 3.656 0.009 . 1 . . . . . . . . 6741 1 55 . 1 1 8 8 ILE HB H 1 1.988 0.001 . 1 . . . . . . . . 6741 1 56 . 1 1 8 8 ILE HG12 H 1 1.275 0.004 . 1 . . . . . . . . 6741 1 57 . 1 1 8 8 ILE HG13 H 1 1.275 0.004 . 1 . . . . . . . . 6741 1 58 . 1 1 8 8 ILE HG21 H 1 0.921 0.007 . 1 . . . . . . . . 6741 1 59 . 1 1 8 8 ILE HG22 H 1 0.921 0.007 . 1 . . . . . . . . 6741 1 60 . 1 1 8 8 ILE HG23 H 1 0.921 0.007 . 1 . . . . . . . . 6741 1 61 . 1 1 8 8 ILE HD11 H 1 0.825 0.006 . 1 . . . . . . . . 6741 1 62 . 1 1 8 8 ILE HD12 H 1 0.825 0.006 . 1 . . . . . . . . 6741 1 63 . 1 1 8 8 ILE HD13 H 1 0.825 0.006 . 1 . . . . . . . . 6741 1 64 . 1 1 9 9 LYS H H 1 7.827 0.009 . 1 . . . . . . . . 6741 1 65 . 1 1 9 9 LYS HA H 1 4.135 0.007 . 1 . . . . . . . . 6741 1 66 . 1 1 9 9 LYS HB2 H 1 1.924 0.004 . 1 . . . . . . . . 6741 1 67 . 1 1 9 9 LYS HB3 H 1 1.885 0.006 . 1 . . . . . . . . 6741 1 68 . 1 1 9 9 LYS HG2 H 1 1.514 0.006 . 1 . . . . . . . . 6741 1 69 . 1 1 9 9 LYS HG3 H 1 1.600 0.005 . 1 . . . . . . . . 6741 1 70 . 1 1 9 9 LYS HD2 H 1 1.731 0.008 . 1 . . . . . . . . 6741 1 71 . 1 1 9 9 LYS HD3 H 1 1.731 0.008 . 1 . . . . . . . . 6741 1 72 . 1 1 9 9 LYS HE2 H 1 3.004 0.009 . 1 . . . . . . . . 6741 1 73 . 1 1 9 9 LYS HE3 H 1 3.004 0.009 . 1 . . . . . . . . 6741 1 74 . 1 1 9 9 LYS HZ1 H 1 7.416 0.000 . 1 . . . . . . . . 6741 1 75 . 1 1 9 9 LYS HZ2 H 1 7.416 0.000 . 1 . . . . . . . . 6741 1 76 . 1 1 9 9 LYS HZ3 H 1 7.416 0.000 . 1 . . . . . . . . 6741 1 77 . 1 1 10 10 ARG H H 1 7.700 0.006 . 1 . . . . . . . . 6741 1 78 . 1 1 10 10 ARG HA H 1 4.190 0.005 . 1 . . . . . . . . 6741 1 79 . 1 1 10 10 ARG HB2 H 1 2.015 0.006 . 1 . . . . . . . . 6741 1 80 . 1 1 10 10 ARG HB3 H 1 2.015 0.006 . 1 . . . . . . . . 6741 1 81 . 1 1 10 10 ARG HG2 H 1 1.758 0.009 . 1 . . . . . . . . 6741 1 82 . 1 1 10 10 ARG HG3 H 1 1.758 0.009 . 1 . . . . . . . . 6741 1 83 . 1 1 10 10 ARG HD2 H 1 3.219 0.007 . 1 . . . . . . . . 6741 1 84 . 1 1 10 10 ARG HD3 H 1 3.219 0.007 . 1 . . . . . . . . 6741 1 85 . 1 1 10 10 ARG HE H 1 7.246 0.008 . 1 . . . . . . . . 6741 1 86 . 1 1 10 10 ARG HH11 H 1 6.666 0.001 . 1 . . . . . . . . 6741 1 87 . 1 1 10 10 ARG HH12 H 1 6.666 0.001 . 1 . . . . . . . . 6741 1 88 . 1 1 10 10 ARG HH21 H 1 6.666 0.001 . 1 . . . . . . . . 6741 1 89 . 1 1 10 10 ARG HH22 H 1 6.666 0.001 . 1 . . . . . . . . 6741 1 90 . 1 1 11 11 ILE H H 1 8.132 0.007 . 1 . . . . . . . . 6741 1 91 . 1 1 11 11 ILE HA H 1 3.818 0.008 . 1 . . . . . . . . 6741 1 92 . 1 1 11 11 ILE HB H 1 2.007 0.006 . 1 . . . . . . . . 6741 1 93 . 1 1 11 11 ILE HG12 H 1 1.149 0.006 . 1 . . . . . . . . 6741 1 94 . 1 1 11 11 ILE HG13 H 1 1.149 0.006 . 1 . . . . . . . . 6741 1 95 . 1 1 11 11 ILE HG21 H 1 0.915 0.005 . 1 . . . . . . . . 6741 1 96 . 1 1 11 11 ILE HG22 H 1 0.915 0.005 . 1 . . . . . . . . 6741 1 97 . 1 1 11 11 ILE HG23 H 1 0.915 0.005 . 1 . . . . . . . . 6741 1 98 . 1 1 11 11 ILE HD11 H 1 0.805 0.004 . 1 . . . . . . . . 6741 1 99 . 1 1 11 11 ILE HD12 H 1 0.805 0.004 . 1 . . . . . . . . 6741 1 100 . 1 1 11 11 ILE HD13 H 1 0.805 0.004 . 1 . . . . . . . . 6741 1 101 . 1 1 12 12 GLN H H 1 8.410 0.008 . 1 . . . . . . . . 6741 1 102 . 1 1 12 12 GLN HA H 1 3.906 0.007 . 1 . . . . . . . . 6741 1 103 . 1 1 12 12 GLN HB2 H 1 2.173 0.008 . 1 . . . . . . . . 6741 1 104 . 1 1 12 12 GLN HB3 H 1 2.173 0.008 . 1 . . . . . . . . 6741 1 105 . 1 1 12 12 GLN HG2 H 1 2.552 0.006 . 1 . . . . . . . . 6741 1 106 . 1 1 12 12 GLN HG3 H 1 2.368 0.007 . 1 . . . . . . . . 6741 1 107 . 1 1 12 12 GLN HE21 H 1 6.587 0.005 . 1 . . . . . . . . 6741 1 108 . 1 1 12 12 GLN HE22 H 1 7.072 0.003 . 1 . . . . . . . . 6741 1 109 . 1 1 13 13 ALA H H 1 7.411 0.008 . 1 . . . . . . . . 6741 1 110 . 1 1 13 13 ALA HA H 1 4.230 0.005 . 1 . . . . . . . . 6741 1 111 . 1 1 13 13 ALA HB1 H 1 1.528 0.005 . 1 . . . . . . . . 6741 1 112 . 1 1 13 13 ALA HB2 H 1 1.528 0.005 . 1 . . . . . . . . 6741 1 113 . 1 1 13 13 ALA HB3 H 1 1.528 0.005 . 1 . . . . . . . . 6741 1 114 . 1 1 14 14 MET H H 1 7.758 0.005 . 1 . . . . . . . . 6741 1 115 . 1 1 14 14 MET HA H 1 4.405 0.002 . 1 . . . . . . . . 6741 1 116 . 1 1 14 14 MET HB2 H 1 2.194 0.005 . 1 . . . . . . . . 6741 1 117 . 1 1 14 14 MET HB3 H 1 2.194 0.005 . 1 . . . . . . . . 6741 1 118 . 1 1 14 14 MET HG2 H 1 2.669 0.008 . 1 . . . . . . . . 6741 1 119 . 1 1 14 14 MET HG3 H 1 2.731 0.008 . 1 . . . . . . . . 6741 1 120 . 1 1 15 15 ILE H H 1 7.415 0.008 . 1 . . . . . . . . 6741 1 121 . 1 1 15 15 ILE HA H 1 4.249 0.005 . 1 . . . . . . . . 6741 1 122 . 1 1 15 15 ILE HB H 1 1.998 0.010 . 1 . . . . . . . . 6741 1 123 . 1 1 15 15 ILE HG12 H 1 1.287 0.001 . 1 . . . . . . . . 6741 1 124 . 1 1 15 15 ILE HG13 H 1 1.287 0.001 . 1 . . . . . . . . 6741 1 125 . 1 1 15 15 ILE HG21 H 1 0.989 0.004 . 1 . . . . . . . . 6741 1 126 . 1 1 15 15 ILE HG22 H 1 0.989 0.004 . 1 . . . . . . . . 6741 1 127 . 1 1 15 15 ILE HG23 H 1 0.989 0.004 . 1 . . . . . . . . 6741 1 128 . 1 1 15 15 ILE HD11 H 1 0.875 0.005 . 1 . . . . . . . . 6741 1 129 . 1 1 15 15 ILE HD12 H 1 0.875 0.005 . 1 . . . . . . . . 6741 1 130 . 1 1 15 15 ILE HD13 H 1 0.875 0.005 . 1 . . . . . . . . 6741 1 131 . 1 1 16 16 PRO HA H 1 4.480 0.002 . 1 . . . . . . . . 6741 1 132 . 1 1 16 16 PRO HB2 H 1 2.330 0.004 . 1 . . . . . . . . 6741 1 133 . 1 1 16 16 PRO HB3 H 1 2.330 0.004 . 1 . . . . . . . . 6741 1 134 . 1 1 16 16 PRO HG2 H 1 1.984 0.008 . 2 . . . . . . . . 6741 1 135 . 1 1 16 16 PRO HG3 H 1 2.051 0.004 . 2 . . . . . . . . 6741 1 136 . 1 1 16 16 PRO HD2 H 1 3.651 0.006 . 1 . . . . . . . . 6741 1 137 . 1 1 16 16 PRO HD3 H 1 3.945 0.006 . 1 . . . . . . . . 6741 1 138 . 1 1 17 17 LYS H H 1 8.002 0.004 . 1 . . . . . . . . 6741 1 139 . 1 1 17 17 LYS HA H 1 4.403 0.004 . 1 . . . . . . . . 6741 1 140 . 1 1 17 17 LYS HB2 H 1 1.865 0.001 . 2 . . . . . . . . 6741 1 141 . 1 1 17 17 LYS HB3 H 1 1.929 0.007 . 2 . . . . . . . . 6741 1 142 . 1 1 17 17 LYS HG2 H 1 1.478 0.010 . 2 . . . . . . . . 6741 1 143 . 1 1 17 17 LYS HG3 H 1 1.538 0.008 . 2 . . . . . . . . 6741 1 144 . 1 1 17 17 LYS HD2 H 1 1.733 0.008 . 1 . . . . . . . . 6741 1 145 . 1 1 17 17 LYS HD3 H 1 1.733 0.008 . 1 . . . . . . . . 6741 1 146 . 1 1 17 17 LYS HE2 H 1 3.031 0.009 . 1 . . . . . . . . 6741 1 147 . 1 1 17 17 LYS HE3 H 1 3.031 0.009 . 1 . . . . . . . . 6741 1 148 . 1 1 17 17 LYS HZ1 H 1 7.412 0.005 . 1 . . . . . . . . 6741 1 149 . 1 1 17 17 LYS HZ2 H 1 7.412 0.005 . 1 . . . . . . . . 6741 1 150 . 1 1 17 17 LYS HZ3 H 1 7.412 0.005 . 1 . . . . . . . . 6741 1 151 . 1 1 18 18 GLY H H 1 8.214 0.007 . 1 . . . . . . . . 6741 1 152 . 1 1 18 18 GLY HA2 H 1 3.996 0.008 . 1 . . . . . . . . 6741 1 153 . 1 1 18 18 GLY HA3 H 1 3.996 0.008 . 1 . . . . . . . . 6741 1 154 . 1 1 19 19 GLY H H 1 8.212 0.004 . 1 . . . . . . . . 6741 1 155 . 1 1 19 19 GLY HA2 H 1 3.962 0.004 . 1 . . . . . . . . 6741 1 156 . 1 1 19 19 GLY HA3 H 1 3.962 0.004 . 1 . . . . . . . . 6741 1 157 . 1 1 20 20 ARG H H 1 8.010 0.005 . 1 . . . . . . . . 6741 1 158 . 1 1 20 20 ARG HA H 1 4.321 0.002 . 1 . . . . . . . . 6741 1 159 . 1 1 20 20 ARG HB2 H 1 1.870 0.009 . 2 . . . . . . . . 6741 1 160 . 1 1 20 20 ARG HB3 H 1 1.966 0.009 . 2 . . . . . . . . 6741 1 161 . 1 1 20 20 ARG HG2 H 1 1.704 0.007 . 1 . . . . . . . . 6741 1 162 . 1 1 20 20 ARG HG3 H 1 1.704 0.007 . 1 . . . . . . . . 6741 1 163 . 1 1 20 20 ARG HD2 H 1 3.231 0.007 . 1 . . . . . . . . 6741 1 164 . 1 1 20 20 ARG HD3 H 1 3.231 0.007 . 1 . . . . . . . . 6741 1 165 . 1 1 20 20 ARG HE H 1 7.155 0.004 . 1 . . . . . . . . 6741 1 166 . 1 1 21 21 MET H H 1 8.279 0.006 . 1 . . . . . . . . 6741 1 167 . 1 1 21 21 MET HA H 1 4.434 0.003 . 1 . . . . . . . . 6741 1 168 . 1 1 21 21 MET HB2 H 1 2.075 0.005 . 2 . . . . . . . . 6741 1 169 . 1 1 21 21 MET HB3 H 1 2.165 0.005 . 2 . . . . . . . . 6741 1 170 . 1 1 21 21 MET HG2 H 1 2.534 0.009 . 1 . . . . . . . . 6741 1 171 . 1 1 21 21 MET HG3 H 1 2.626 0.006 . 1 . . . . . . . . 6741 1 172 . 1 1 22 22 LEU H H 1 8.274 0.005 . 1 . . . . . . . . 6741 1 173 . 1 1 22 22 LEU HA H 1 4.315 0.007 . 1 . . . . . . . . 6741 1 174 . 1 1 22 22 LEU HB2 H 1 1.654 0.005 . 1 . . . . . . . . 6741 1 175 . 1 1 22 22 LEU HB3 H 1 1.749 0.010 . 1 . . . . . . . . 6741 1 176 . 1 1 22 22 LEU HD11 H 1 0.979 0.004 . 2 . . . . . . . . 6741 1 177 . 1 1 22 22 LEU HD12 H 1 0.979 0.004 . 2 . . . . . . . . 6741 1 178 . 1 1 22 22 LEU HD13 H 1 0.979 0.004 . 2 . . . . . . . . 6741 1 179 . 1 1 22 22 LEU HD21 H 1 0.917 0.006 . 2 . . . . . . . . 6741 1 180 . 1 1 22 22 LEU HD22 H 1 0.917 0.006 . 2 . . . . . . . . 6741 1 181 . 1 1 22 22 LEU HD23 H 1 0.917 0.006 . 2 . . . . . . . . 6741 1 182 . 1 1 23 23 PRO HA H 1 4.187 0.010 . 1 . . . . . . . . 6741 1 183 . 1 1 23 23 PRO HB2 H 1 2.180 0.006 . 1 . . . . . . . . 6741 1 184 . 1 1 23 23 PRO HB3 H 1 2.323 0.009 . 1 . . . . . . . . 6741 1 185 . 1 1 23 23 PRO HG2 H 1 1.976 0.006 . 1 . . . . . . . . 6741 1 186 . 1 1 23 23 PRO HG3 H 1 1.901 0.011 . 1 . . . . . . . . 6741 1 187 . 1 1 23 23 PRO HD2 H 1 3.687 0.009 . 1 . . . . . . . . 6741 1 188 . 1 1 23 23 PRO HD3 H 1 3.605 0.007 . 1 . . . . . . . . 6741 1 189 . 1 1 24 24 GLN H H 1 7.490 0.006 . 1 . . . . . . . . 6741 1 190 . 1 1 24 24 GLN HA H 1 4.077 0.010 . 1 . . . . . . . . 6741 1 191 . 1 1 24 24 GLN HB2 H 1 2.157 0.006 . 2 . . . . . . . . 6741 1 192 . 1 1 24 24 GLN HB3 H 1 2.229 0.004 . 2 . . . . . . . . 6741 1 193 . 1 1 24 24 GLN HG2 H 1 2.452 0.004 . 2 . . . . . . . . 6741 1 194 . 1 1 24 24 GLN HG3 H 1 2.484 0.010 . 2 . . . . . . . . 6741 1 195 . 1 1 24 24 GLN HE21 H 1 6.707 0.006 . 1 . . . . . . . . 6741 1 196 . 1 1 24 24 GLN HE22 H 1 6.707 0.006 . 1 . . . . . . . . 6741 1 197 . 1 1 25 25 LEU H H 1 7.990 0.005 . 1 . . . . . . . . 6741 1 198 . 1 1 25 25 LEU HA H 1 4.114 0.005 . 1 . . . . . . . . 6741 1 199 . 1 1 25 25 LEU HB2 H 1 1.862 0.007 . 1 . . . . . . . . 6741 1 200 . 1 1 25 25 LEU HB3 H 1 1.738 0.010 . 1 . . . . . . . . 6741 1 201 . 1 1 25 25 LEU HG H 1 1.476 0.011 . 1 . . . . . . . . 6741 1 202 . 1 1 25 25 LEU HD11 H 1 0.895 0.013 . 1 . . . . . . . . 6741 1 203 . 1 1 25 25 LEU HD12 H 1 0.895 0.013 . 1 . . . . . . . . 6741 1 204 . 1 1 25 25 LEU HD13 H 1 0.895 0.013 . 1 . . . . . . . . 6741 1 205 . 1 1 25 25 LEU HD21 H 1 0.936 0.005 . 1 . . . . . . . . 6741 1 206 . 1 1 25 25 LEU HD22 H 1 0.936 0.005 . 1 . . . . . . . . 6741 1 207 . 1 1 25 25 LEU HD23 H 1 0.936 0.005 . 1 . . . . . . . . 6741 1 208 . 1 1 26 26 VAL H H 1 8.175 0.008 . 1 . . . . . . . . 6741 1 209 . 1 1 26 26 VAL HA H 1 3.593 0.006 . 1 . . . . . . . . 6741 1 210 . 1 1 26 26 VAL HB H 1 2.159 0.007 . 1 . . . . . . . . 6741 1 211 . 1 1 26 26 VAL HG11 H 1 0.962 0.007 . 1 . . . . . . . . 6741 1 212 . 1 1 26 26 VAL HG12 H 1 0.962 0.007 . 1 . . . . . . . . 6741 1 213 . 1 1 26 26 VAL HG13 H 1 0.962 0.007 . 1 . . . . . . . . 6741 1 214 . 1 1 26 26 VAL HG21 H 1 1.041 0.007 . 1 . . . . . . . . 6741 1 215 . 1 1 26 26 VAL HG22 H 1 1.041 0.007 . 1 . . . . . . . . 6741 1 216 . 1 1 26 26 VAL HG23 H 1 1.041 0.007 . 1 . . . . . . . . 6741 1 217 . 1 1 27 27 CYS H H 1 8.025 0.007 . 1 . . . . . . . . 6741 1 218 . 1 1 27 27 CYS HA H 1 4.387 0.005 . 1 . . . . . . . . 6741 1 219 . 1 1 27 27 CYS HB2 H 1 3.153 0.008 . 1 . . . . . . . . 6741 1 220 . 1 1 27 27 CYS HB3 H 1 3.240 0.011 . 1 . . . . . . . . 6741 1 221 . 1 1 28 28 ARG H H 1 7.839 0.006 . 1 . . . . . . . . 6741 1 222 . 1 1 28 28 ARG HA H 1 4.231 0.006 . 1 . . . . . . . . 6741 1 223 . 1 1 28 28 ARG HB2 H 1 1.996 0.012 . 1 . . . . . . . . 6741 1 224 . 1 1 28 28 ARG HB3 H 1 1.996 0.012 . 1 . . . . . . . . 6741 1 225 . 1 1 28 28 ARG HG2 H 1 1.713 0.006 . 1 . . . . . . . . 6741 1 226 . 1 1 28 28 ARG HG3 H 1 1.802 0.007 . 1 . . . . . . . . 6741 1 227 . 1 1 28 28 ARG HD2 H 1 3.218 0.006 . 1 . . . . . . . . 6741 1 228 . 1 1 28 28 ARG HD3 H 1 3.218 0.006 . 1 . . . . . . . . 6741 1 229 . 1 1 28 28 ARG HE H 1 7.206 0.008 . 1 . . . . . . . . 6741 1 230 . 1 1 28 28 ARG HH11 H 1 6.633 0.004 . 1 . . . . . . . . 6741 1 231 . 1 1 28 28 ARG HH12 H 1 6.633 0.004 . 1 . . . . . . . . 6741 1 232 . 1 1 28 28 ARG HH21 H 1 6.633 0.004 . 1 . . . . . . . . 6741 1 233 . 1 1 28 28 ARG HH22 H 1 6.663 0.004 . 1 . . . . . . . . 6741 1 234 . 1 1 29 29 LEU H H 1 7.888 0.008 . 1 . . . . . . . . 6741 1 235 . 1 1 29 29 LEU HA H 1 4.363 0.001 . 1 . . . . . . . . 6741 1 236 . 1 1 29 29 LEU HB2 H 1 1.632 0.004 . 2 . . . . . . . . 6741 1 237 . 1 1 29 29 LEU HB3 H 1 1.851 0.005 . 2 . . . . . . . . 6741 1 238 . 1 1 29 29 LEU HG H 1 1.446 0.005 . 1 . . . . . . . . 6741 1 239 . 1 1 29 29 LEU HD11 H 1 0.922 0.005 . 1 . . . . . . . . 6741 1 240 . 1 1 29 29 LEU HD12 H 1 0.922 0.005 . 1 . . . . . . . . 6741 1 241 . 1 1 29 29 LEU HD13 H 1 0.922 0.005 . 1 . . . . . . . . 6741 1 242 . 1 1 29 29 LEU HD21 H 1 0.922 0.005 . 1 . . . . . . . . 6741 1 243 . 1 1 29 29 LEU HD22 H 1 0.922 0.005 . 1 . . . . . . . . 6741 1 244 . 1 1 29 29 LEU HD23 H 1 0.922 0.005 . 1 . . . . . . . . 6741 1 245 . 1 1 30 30 VAL H H 1 7.677 0.004 . 1 . . . . . . . . 6741 1 246 . 1 1 30 30 VAL HA H 1 4.412 0.003 . 1 . . . . . . . . 6741 1 247 . 1 1 30 30 VAL HB H 1 2.395 0.008 . 1 . . . . . . . . 6741 1 248 . 1 1 30 30 VAL HG11 H 1 0.974 0.007 . 1 . . . . . . . . 6741 1 249 . 1 1 30 30 VAL HG12 H 1 0.974 0.007 . 1 . . . . . . . . 6741 1 250 . 1 1 30 30 VAL HG13 H 1 0.974 0.007 . 1 . . . . . . . . 6741 1 251 . 1 1 30 30 VAL HG21 H 1 0.974 0.007 . 1 . . . . . . . . 6741 1 252 . 1 1 30 30 VAL HG22 H 1 0.974 0.007 . 1 . . . . . . . . 6741 1 253 . 1 1 30 30 VAL HG23 H 1 0.974 0.007 . 1 . . . . . . . . 6741 1 254 . 1 1 31 31 LEU H H 1 7.853 0.010 . 1 . . . . . . . . 6741 1 255 . 1 1 31 31 LEU HA H 1 4.327 0.006 . 1 . . . . . . . . 6741 1 256 . 1 1 31 31 LEU HB2 H 1 1.705 0.006 . 2 . . . . . . . . 6741 1 257 . 1 1 31 31 LEU HB3 H 1 1.933 0.005 . 2 . . . . . . . . 6741 1 258 . 1 1 31 31 LEU HG H 1 1.512 0.006 . 1 . . . . . . . . 6741 1 259 . 1 1 31 31 LEU HD11 H 1 0.928 0.012 . 1 . . . . . . . . 6741 1 260 . 1 1 31 31 LEU HD12 H 1 0.928 0.012 . 1 . . . . . . . . 6741 1 261 . 1 1 31 31 LEU HD13 H 1 0.928 0.012 . 1 . . . . . . . . 6741 1 262 . 1 1 31 31 LEU HD21 H 1 0.928 0.012 . 1 . . . . . . . . 6741 1 263 . 1 1 31 31 LEU HD22 H 1 0.928 0.012 . 1 . . . . . . . . 6741 1 264 . 1 1 31 31 LEU HD23 H 1 0.928 0.012 . 1 . . . . . . . . 6741 1 265 . 1 1 32 32 ARG H H 1 7.564 0.007 . 1 . . . . . . . . 6741 1 266 . 1 1 32 32 ARG HA H 1 4.431 0.000 . 1 . . . . . . . . 6741 1 267 . 1 1 32 32 ARG HB2 H 1 1.865 0.007 . 2 . . . . . . . . 6741 1 268 . 1 1 32 32 ARG HB3 H 1 1.933 0.005 . 2 . . . . . . . . 6741 1 269 . 1 1 32 32 ARG HG2 H 1 1.631 0.005 . 2 . . . . . . . . 6741 1 270 . 1 1 32 32 ARG HG3 H 1 1.705 0.007 . 2 . . . . . . . . 6741 1 271 . 1 1 32 32 ARG HD2 H 1 3.174 0.005 . 1 . . . . . . . . 6741 1 272 . 1 1 32 32 ARG HD3 H 1 3.174 0.005 . 1 . . . . . . . . 6741 1 273 . 1 1 32 32 ARG HE H 1 7.101 0.004 . 1 . . . . . . . . 6741 1 274 . 1 1 33 33 CYS H H 1 7.916 0.007 . 1 . . . . . . . . 6741 1 275 . 1 1 33 33 CYS HA H 1 4.676 0.003 . 1 . . . . . . . . 6741 1 276 . 1 1 33 33 CYS HB2 H 1 3.155 0.004 . 1 . . . . . . . . 6741 1 277 . 1 1 33 33 CYS HB3 H 1 3.452 0.008 . 1 . . . . . . . . 6741 1 278 . 1 1 34 34 SER H H 1 7.978 0.006 . 1 . . . . . . . . 6741 1 279 . 1 1 34 34 SER HA H 1 4.300 0.004 . 1 . . . . . . . . 6741 1 280 . 1 1 34 34 SER HB2 H 1 3.855 0.006 . 1 . . . . . . . . 6741 1 281 . 1 1 34 34 SER HB3 H 1 3.855 0.006 . 1 . . . . . . . . 6741 1 stop_ save_ save_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 6741 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_2 _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 . 6741 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 CYS H H 1 7.357 0.002 . 1 . . . . . . . . 6741 2 2 . 1 1 1 1 CYS HA H 1 4.462 0.004 . 1 . . . . . . . . 6741 2 3 . 1 1 1 1 CYS HB3 H 1 3.614 0.000 . 2 . . . . . . . . 6741 2 4 . 1 1 1 1 CYS HB2 H 1 3.578 0.000 . 2 . . . . . . . . 6741 2 5 . 1 1 2 2 TRP H H 1 8.339 0.004 . 1 . . . . . . . . 6741 2 6 . 1 1 2 2 TRP HA H 1 4.458 0.003 . 1 . . . . . . . . 6741 2 7 . 1 1 2 2 TRP HB2 H 1 3.439 0.003 . 1 . . . . . . . . 6741 2 8 . 1 1 2 2 TRP HB3 H 1 3.365 0.003 . 1 . . . . . . . . 6741 2 9 . 1 1 2 2 TRP HD1 H 1 7.356 0.000 . 1 . . . . . . . . 6741 2 10 . 1 1 2 2 TRP HE1 H 1 9.582 0.002 . 1 . . . . . . . . 6741 2 11 . 1 1 2 2 TRP HE3 H 1 7.535 0.001 . 1 . . . . . . . . 6741 2 12 . 1 1 2 2 TRP HZ2 H 1 7.505 0.003 . 1 . . . . . . . . 6741 2 13 . 1 1 2 2 TRP HZ3 H 1 7.153 0.003 . 1 . . . . . . . . 6741 2 14 . 1 1 2 2 TRP HH2 H 1 7.271 0.004 . 1 . . . . . . . . 6741 2 15 . 1 1 3 3 LEU H H 1 7.286 0.006 . 1 . . . . . . . . 6741 2 16 . 1 1 3 3 LEU HA H 1 3.965 0.004 . 1 . . . . . . . . 6741 2 17 . 1 1 3 3 LEU HB2 H 1 1.424 0.002 . 1 . . . . . . . . 6741 2 18 . 1 1 3 3 LEU HB3 H 1 1.512 0.009 . 1 . . . . . . . . 6741 2 19 . 1 1 3 3 LEU HG H 1 1.169 0.005 . 1 . . . . . . . . 6741 2 20 . 1 1 3 3 LEU HD11 H 1 0.911 0.006 . 1 . . . . . . . . 6741 2 21 . 1 1 3 3 LEU HD12 H 1 0.911 0.006 . 1 . . . . . . . . 6741 2 22 . 1 1 3 3 LEU HD13 H 1 0.911 0.006 . 1 . . . . . . . . 6741 2 23 . 1 1 3 3 LEU HD21 H 1 0.845 0.003 . 1 . . . . . . . . 6741 2 24 . 1 1 3 3 LEU HD22 H 1 0.845 0.003 . 1 . . . . . . . . 6741 2 25 . 1 1 3 3 LEU HD23 H 1 0.845 0.003 . 1 . . . . . . . . 6741 2 26 . 1 1 4 4 CYS H H 1 8.441 0.002 . 1 . . . . . . . . 6741 2 27 . 1 1 4 4 CYS HA H 1 4.316 0.004 . 1 . . . . . . . . 6741 2 28 . 1 1 4 4 CYS HB2 H 1 2.807 0.004 . 1 . . . . . . . . 6741 2 29 . 1 1 4 4 CYS HB3 H 1 3.581 0.005 . 1 . . . . . . . . 6741 2 30 . 1 1 5 5 ARG H H 1 7.531 0.004 . 1 . . . . . . . . 6741 2 31 . 1 1 5 5 ARG HA H 1 3.988 0.003 . 1 . . . . . . . . 6741 2 32 . 1 1 5 5 ARG HB2 H 1 1.937 0.002 . 2 . . . . . . . . 6741 2 33 . 1 1 5 5 ARG HB3 H 1 2.013 0.005 . 2 . . . . . . . . 6741 2 34 . 1 1 5 5 ARG HG2 H 1 1.667 0.004 . 1 . . . . . . . . 6741 2 35 . 1 1 5 5 ARG HG3 H 1 1.667 0.004 . 1 . . . . . . . . 6741 2 36 . 1 1 5 5 ARG HD2 H 1 3.143 0.002 . 2 . . . . . . . . 6741 2 37 . 1 1 5 5 ARG HD3 H 1 3.179 0.004 . 2 . . . . . . . . 6741 2 38 . 1 1 6 6 ALA H H 1 7.783 0.002 . 1 . . . . . . . . 6741 2 39 . 1 1 6 6 ALA HA H 1 4.072 0.003 . 1 . . . . . . . . 6741 2 40 . 1 1 6 6 ALA HB1 H 1 1.524 0.003 . 1 . . . . . . . . 6741 2 41 . 1 1 6 6 ALA HB2 H 1 1.524 0.003 . 1 . . . . . . . . 6741 2 42 . 1 1 6 6 ALA HB3 H 1 1.524 0.003 . 1 . . . . . . . . 6741 2 43 . 1 1 7 7 LEU H H 1 8.212 0.003 . 1 . . . . . . . . 6741 2 44 . 1 1 7 7 LEU HA H 1 4.132 0.003 . 1 . . . . . . . . 6741 2 45 . 1 1 7 7 LEU HB2 H 1 1.851 0.003 . 2 . . . . . . . . 6741 2 46 . 1 1 7 7 LEU HB3 H 1 1.772 0.013 . 2 . . . . . . . . 6741 2 47 . 1 1 7 7 LEU HG H 1 1.685 0.004 . 1 . . . . . . . . 6741 2 48 . 1 1 7 7 LEU HD11 H 1 0.898 0.005 . 1 . . . . . . . . 6741 2 49 . 1 1 7 7 LEU HD12 H 1 0.898 0.005 . 1 . . . . . . . . 6741 2 50 . 1 1 7 7 LEU HD13 H 1 0.898 0.005 . 1 . . . . . . . . 6741 2 51 . 1 1 7 7 LEU HD21 H 1 0.898 0.005 . 1 . . . . . . . . 6741 2 52 . 1 1 7 7 LEU HD22 H 1 0.898 0.005 . 1 . . . . . . . . 6741 2 53 . 1 1 7 7 LEU HD23 H 1 0.898 0.005 . 1 . . . . . . . . 6741 2 54 . 1 1 8 8 ILE H H 1 8.168 0.004 . 1 . . . . . . . . 6741 2 55 . 1 1 8 8 ILE HA H 1 3.741 0.003 . 1 . . . . . . . . 6741 2 56 . 1 1 8 8 ILE HB H 1 1.920 0.004 . 1 . . . . . . . . 6741 2 57 . 1 1 8 8 ILE HG12 H 1 1.197 0.003 . 1 . . . . . . . . 6741 2 58 . 1 1 8 8 ILE HG13 H 1 1.197 0.003 . 1 . . . . . . . . 6741 2 59 . 1 1 8 8 ILE HG21 H 1 0.932 0.008 . 1 . . . . . . . . 6741 2 60 . 1 1 8 8 ILE HG22 H 1 0.932 0.008 . 1 . . . . . . . . 6741 2 61 . 1 1 8 8 ILE HG23 H 1 0.932 0.008 . 1 . . . . . . . . 6741 2 62 . 1 1 8 8 ILE HD11 H 1 0.848 0.005 . 1 . . . . . . . . 6741 2 63 . 1 1 8 8 ILE HD12 H 1 0.848 0.005 . 1 . . . . . . . . 6741 2 64 . 1 1 8 8 ILE HD13 H 1 0.848 0.005 . 1 . . . . . . . . 6741 2 65 . 1 1 9 9 LYS H H 1 7.932 0.004 . 1 . . . . . . . . 6741 2 66 . 1 1 9 9 LYS HA H 1 4.090 0.006 . 1 . . . . . . . . 6741 2 67 . 1 1 9 9 LYS HB2 H 1 2.041 0.003 . 1 . . . . . . . . 6741 2 68 . 1 1 9 9 LYS HB3 H 1 1.977 0.004 . 1 . . . . . . . . 6741 2 69 . 1 1 9 9 LYS HG2 H 1 1.628 0.003 . 1 . . . . . . . . 6741 2 70 . 1 1 9 9 LYS HG3 H 1 1.628 0.003 . 1 . . . . . . . . 6741 2 71 . 1 1 9 9 LYS HD2 H 1 1.758 0.005 . 1 . . . . . . . . 6741 2 72 . 1 1 9 9 LYS HD3 H 1 1.758 0.005 . 1 . . . . . . . . 6741 2 73 . 1 1 9 9 LYS HE2 H 1 3.035 0.001 . 1 . . . . . . . . 6741 2 74 . 1 1 9 9 LYS HE3 H 1 3.035 0.001 . 1 . . . . . . . . 6741 2 75 . 1 1 9 9 LYS HZ1 H 1 7.356 0.000 . 1 . . . . . . . . 6741 2 76 . 1 1 9 9 LYS HZ2 H 1 7.356 0.000 . 1 . . . . . . . . 6741 2 77 . 1 1 9 9 LYS HZ3 H 1 7.356 0.000 . 1 . . . . . . . . 6741 2 78 . 1 1 10 10 ARG H H 1 8.603 0.003 . 1 . . . . . . . . 6741 2 79 . 1 1 10 10 ARG HA H 1 3.735 0.007 . 1 . . . . . . . . 6741 2 80 . 1 1 10 10 ARG HB2 H 1 2.015 0.004 . 1 . . . . . . . . 6741 2 81 . 1 1 10 10 ARG HB3 H 1 2.015 0.004 . 1 . . . . . . . . 6741 2 82 . 1 1 10 10 ARG HG2 H 1 1.837 0.005 . 1 . . . . . . . . 6741 2 83 . 1 1 10 10 ARG HG3 H 1 1.837 0.005 . 1 . . . . . . . . 6741 2 84 . 1 1 10 10 ARG HD2 H 1 3.161 0.003 . 1 . . . . . . . . 6741 2 85 . 1 1 10 10 ARG HD3 H 1 3.161 0.003 . 1 . . . . . . . . 6741 2 86 . 1 1 11 11 ILE H H 1 7.882 0.003 . 1 . . . . . . . . 6741 2 87 . 1 1 11 11 ILE HA H 1 4.111 0.003 . 1 . . . . . . . . 6741 2 88 . 1 1 11 11 ILE HB H 1 2.173 0.003 . 1 . . . . . . . . 6741 2 89 . 1 1 11 11 ILE HG12 H 1 1.756 0.003 . 2 . . . . . . . . 6741 2 90 . 1 1 11 11 ILE HG13 H 1 1.853 0.006 . 2 . . . . . . . . 6741 2 91 . 1 1 11 11 ILE HG21 H 1 1.131 0.004 . 1 . . . . . . . . 6741 2 92 . 1 1 11 11 ILE HG22 H 1 1.131 0.004 . 1 . . . . . . . . 6741 2 93 . 1 1 11 11 ILE HG23 H 1 1.131 0.004 . 1 . . . . . . . . 6741 2 94 . 1 1 11 11 ILE HD11 H 1 0.910 0.003 . 1 . . . . . . . . 6741 2 95 . 1 1 11 11 ILE HD12 H 1 0.910 0.003 . 1 . . . . . . . . 6741 2 96 . 1 1 11 11 ILE HD13 H 1 0.910 0.003 . 1 . . . . . . . . 6741 2 97 . 1 1 12 12 GLN H H 1 8.604 0.003 . 1 . . . . . . . . 6741 2 98 . 1 1 12 12 GLN HA H 1 3.965 0.004 . 1 . . . . . . . . 6741 2 99 . 1 1 12 12 GLN HB2 H 1 2.091 0.007 . 2 . . . . . . . . 6741 2 100 . 1 1 12 12 GLN HB3 H 1 2.338 0.005 . 2 . . . . . . . . 6741 2 101 . 1 1 12 12 GLN HG2 H 1 2.815 0.004 . 1 . . . . . . . . 6741 2 102 . 1 1 12 12 GLN HG3 H 1 2.815 0.004 . 1 . . . . . . . . 6741 2 103 . 1 1 12 12 GLN HE21 H 1 6.513 0.001 . 1 . . . . . . . . 6741 2 104 . 1 1 12 12 GLN HE22 H 1 6.318 0.004 . 1 . . . . . . . . 6741 2 105 . 1 1 13 13 ALA H H 1 7.800 0.002 . 1 . . . . . . . . 6741 2 106 . 1 1 13 13 ALA HA H 1 4.224 0.003 . 1 . . . . . . . . 6741 2 107 . 1 1 13 13 ALA HB1 H 1 1.621 0.001 . 1 . . . . . . . . 6741 2 108 . 1 1 13 13 ALA HB2 H 1 1.621 0.001 . 1 . . . . . . . . 6741 2 109 . 1 1 13 13 ALA HB3 H 1 1.621 0.001 . 1 . . . . . . . . 6741 2 110 . 1 1 14 14 MET H H 1 8.020 0.004 . 1 . . . . . . . . 6741 2 111 . 1 1 14 14 MET HA H 1 4.421 0.005 . 1 . . . . . . . . 6741 2 112 . 1 1 14 14 MET HB2 H 1 2.233 0.002 . 1 . . . . . . . . 6741 2 113 . 1 1 14 14 MET HB3 H 1 2.335 0.003 . 1 . . . . . . . . 6741 2 114 . 1 1 14 14 MET HG2 H 1 2.820 0.004 . 1 . . . . . . . . 6741 2 115 . 1 1 14 14 MET HG3 H 1 2.687 0.003 . 1 . . . . . . . . 6741 2 116 . 1 1 14 14 MET HE1 H 1 1.819 0.000 . 1 . . . . . . . . 6741 2 117 . 1 1 14 14 MET HE2 H 1 1.819 0.000 . 1 . . . . . . . . 6741 2 118 . 1 1 14 14 MET HE3 H 1 1.819 0.000 . 1 . . . . . . . . 6741 2 119 . 1 1 15 15 ILE H H 1 7.730 0.005 . 1 . . . . . . . . 6741 2 120 . 1 1 15 15 ILE HA H 1 4.219 0.002 . 1 . . . . . . . . 6741 2 121 . 1 1 15 15 ILE HB H 1 1.968 0.004 . 1 . . . . . . . . 6741 2 122 . 1 1 15 15 ILE HG12 H 1 1.346 0.005 . 1 . . . . . . . . 6741 2 123 . 1 1 15 15 ILE HG13 H 1 1.346 0.005 . 1 . . . . . . . . 6741 2 124 . 1 1 15 15 ILE HG21 H 1 1.030 0.004 . 1 . . . . . . . . 6741 2 125 . 1 1 15 15 ILE HG22 H 1 1.030 0.004 . 1 . . . . . . . . 6741 2 126 . 1 1 15 15 ILE HG23 H 1 1.030 0.004 . 1 . . . . . . . . 6741 2 127 . 1 1 15 15 ILE HD11 H 1 0.926 0.005 . 1 . . . . . . . . 6741 2 128 . 1 1 15 15 ILE HD12 H 1 0.926 0.005 . 1 . . . . . . . . 6741 2 129 . 1 1 15 15 ILE HD13 H 1 0.926 0.005 . 1 . . . . . . . . 6741 2 130 . 1 1 16 16 PRO HA H 1 4.467 0.002 . 1 . . . . . . . . 6741 2 131 . 1 1 16 16 PRO HB2 H 1 2.350 0.003 . 1 . . . . . . . . 6741 2 132 . 1 1 16 16 PRO HB3 H 1 1.981 0.005 . 1 . . . . . . . . 6741 2 133 . 1 1 16 16 PRO HG2 H 1 2.157 0.004 . 1 . . . . . . . . 6741 2 134 . 1 1 16 16 PRO HG3 H 1 2.052 0.003 . 1 . . . . . . . . 6741 2 135 . 1 1 16 16 PRO HD2 H 1 4.008 0.003 . 1 . . . . . . . . 6741 2 136 . 1 1 16 16 PRO HD3 H 1 3.671 0.004 . 1 . . . . . . . . 6741 2 137 . 1 1 17 17 LYS H H 1 8.078 0.004 . 1 . . . . . . . . 6741 2 138 . 1 1 17 17 LYS HA H 1 4.400 0.001 . 1 . . . . . . . . 6741 2 139 . 1 1 17 17 LYS HB2 H 1 1.987 0.000 . 1 . . . . . . . . 6741 2 140 . 1 1 17 17 LYS HB3 H 1 1.987 0.000 . 1 . . . . . . . . 6741 2 141 . 1 1 17 17 LYS HG2 H 1 1.629 0.000 . 1 . . . . . . . . 6741 2 142 . 1 1 17 17 LYS HG3 H 1 1.629 0.000 . 1 . . . . . . . . 6741 2 143 . 1 1 17 17 LYS HD2 H 1 1.722 0.002 . 1 . . . . . . . . 6741 2 144 . 1 1 17 17 LYS HD3 H 1 1.722 0.002 . 1 . . . . . . . . 6741 2 145 . 1 1 17 17 LYS HE2 H 1 3.095 0.004 . 1 . . . . . . . . 6741 2 146 . 1 1 17 17 LYS HE3 H 1 3.095 0.004 . 1 . . . . . . . . 6741 2 147 . 1 1 18 18 GLY H H 1 8.091 0.004 . 1 . . . . . . . . 6741 2 148 . 1 1 18 18 GLY HA2 H 1 3.984 0.000 . 1 . . . . . . . . 6741 2 149 . 1 1 18 18 GLY HA3 H 1 3.984 0.000 . 1 . . . . . . . . 6741 2 150 . 1 1 19 19 GLY H H 1 8.125 0.003 . 1 . . . . . . . . 6741 2 151 . 1 1 19 19 GLY HA2 H 1 3.990 0.002 . 1 . . . . . . . . 6741 2 152 . 1 1 19 19 GLY HA3 H 1 3.933 0.001 . 1 . . . . . . . . 6741 2 153 . 1 1 20 20 ARG H H 1 7.832 0.004 . 1 . . . . . . . . 6741 2 154 . 1 1 20 20 ARG HA H 1 4.362 0.004 . 1 . . . . . . . . 6741 2 155 . 1 1 20 20 ARG HB2 H 1 1.890 0.006 . 2 . . . . . . . . 6741 2 156 . 1 1 20 20 ARG HB3 H 1 1.961 0.002 . 2 . . . . . . . . 6741 2 157 . 1 1 20 20 ARG HG2 H 1 1.774 0.002 . 2 . . . . . . . . 6741 2 158 . 1 1 20 20 ARG HG3 H 1 1.915 0.004 . 2 . . . . . . . . 6741 2 159 . 1 1 20 20 ARG HD2 H 1 3.208 0.002 . 2 . . . . . . . . 6741 2 160 . 1 1 20 20 ARG HD3 H 1 3.275 0.001 . 2 . . . . . . . . 6741 2 161 . 1 1 20 20 ARG HE H 1 7.211 0.004 . 1 . . . . . . . . 6741 2 162 . 1 1 21 21 MET H H 1 7.988 0.003 . 1 . . . . . . . . 6741 2 163 . 1 1 21 21 MET HA H 1 4.616 0.002 . 1 . . . . . . . . 6741 2 164 . 1 1 21 21 MET HB2 H 1 2.137 0.006 . 1 . . . . . . . . 6741 2 165 . 1 1 21 21 MET HB3 H 1 2.137 0.006 . 1 . . . . . . . . 6741 2 166 . 1 1 21 21 MET HG2 H 1 2.636 0.003 . 2 . . . . . . . . 6741 2 167 . 1 1 21 21 MET HG3 H 1 2.570 0.004 . 2 . . . . . . . . 6741 2 168 . 1 1 22 22 LEU H H 1 7.568 0.003 . 1 . . . . . . . . 6741 2 169 . 1 1 22 22 LEU HA H 1 4.545 0.004 . 1 . . . . . . . . 6741 2 170 . 1 1 22 22 LEU HB2 H 1 1.827 0.001 . 1 . . . . . . . . 6741 2 171 . 1 1 22 22 LEU HB3 H 1 1.827 0.001 . 1 . . . . . . . . 6741 2 172 . 1 1 22 22 LEU HG H 1 1.767 0.008 . 1 . . . . . . . . 6741 2 173 . 1 1 22 22 LEU HD11 H 1 1.022 0.002 . 1 . . . . . . . . 6741 2 174 . 1 1 22 22 LEU HD12 H 1 1.022 0.002 . 1 . . . . . . . . 6741 2 175 . 1 1 22 22 LEU HD13 H 1 1.022 0.002 . 1 . . . . . . . . 6741 2 176 . 1 1 22 22 LEU HD21 H 1 0.989 0.004 . 1 . . . . . . . . 6741 2 177 . 1 1 22 22 LEU HD22 H 1 0.989 0.004 . 1 . . . . . . . . 6741 2 178 . 1 1 22 22 LEU HD23 H 1 0.989 0.004 . 1 . . . . . . . . 6741 2 179 . 1 1 23 23 PRO HA H 1 4.238 0.004 . 1 . . . . . . . . 6741 2 180 . 1 1 23 23 PRO HB2 H 1 2.369 0.003 . 1 . . . . . . . . 6741 2 181 . 1 1 23 23 PRO HB3 H 1 2.163 0.011 . 1 . . . . . . . . 6741 2 182 . 1 1 23 23 PRO HG2 H 1 2.021 0.004 . 1 . . . . . . . . 6741 2 183 . 1 1 23 23 PRO HG3 H 1 1.836 0.000 . 1 . . . . . . . . 6741 2 184 . 1 1 23 23 PRO HD2 H 1 3.803 0.002 . 1 . . . . . . . . 6741 2 185 . 1 1 23 23 PRO HD3 H 1 3.803 0.002 . 1 . . . . . . . . 6741 2 186 . 1 1 24 24 GLN H H 1 8.078 0.005 . 1 . . . . . . . . 6741 2 187 . 1 1 24 24 GLN HA H 1 4.068 0.003 . 1 . . . . . . . . 6741 2 188 . 1 1 24 24 GLN HB2 H 1 2.172 0.008 . 1 . . . . . . . . 6741 2 189 . 1 1 24 24 GLN HB3 H 1 2.172 0.008 . 1 . . . . . . . . 6741 2 190 . 1 1 24 24 GLN HG2 H 1 2.485 0.001 . 1 . . . . . . . . 6741 2 191 . 1 1 24 24 GLN HG3 H 1 2.485 0.001 . 1 . . . . . . . . 6741 2 192 . 1 1 24 24 GLN HE21 H 1 7.008 0.003 . 1 . . . . . . . . 6741 2 193 . 1 1 24 24 GLN HE22 H 1 6.365 0.002 . 1 . . . . . . . . 6741 2 194 . 1 1 25 25 LEU H H 1 7.772 0.005 . 1 . . . . . . . . 6741 2 195 . 1 1 25 25 LEU HA H 1 4.285 0.005 . 1 . . . . . . . . 6741 2 196 . 1 1 25 25 LEU HB2 H 1 1.872 0.003 . 1 . . . . . . . . 6741 2 197 . 1 1 25 25 LEU HB3 H 1 1.839 0.000 . 1 . . . . . . . . 6741 2 198 . 1 1 25 25 LEU HG H 1 1.706 0.005 . 1 . . . . . . . . 6741 2 199 . 1 1 25 25 LEU HD11 H 1 0.990 0.002 . 1 . . . . . . . . 6741 2 200 . 1 1 25 25 LEU HD12 H 1 0.990 0.002 . 1 . . . . . . . . 6741 2 201 . 1 1 25 25 LEU HD13 H 1 0.990 0.002 . 1 . . . . . . . . 6741 2 202 . 1 1 25 25 LEU HD21 H 1 0.943 0.005 . 1 . . . . . . . . 6741 2 203 . 1 1 25 25 LEU HD22 H 1 0.943 0.005 . 1 . . . . . . . . 6741 2 204 . 1 1 25 25 LEU HD23 H 1 0.943 0.005 . 1 . . . . . . . . 6741 2 205 . 1 1 26 26 VAL H H 1 8.294 0.005 . 1 . . . . . . . . 6741 2 206 . 1 1 26 26 VAL HA H 1 3.625 0.004 . 1 . . . . . . . . 6741 2 207 . 1 1 26 26 VAL HB H 1 2.127 0.004 . 1 . . . . . . . . 6741 2 208 . 1 1 26 26 VAL HG11 H 1 1.082 0.003 . 2 . . . . . . . . 6741 2 209 . 1 1 26 26 VAL HG12 H 1 1.082 0.003 . 2 . . . . . . . . 6741 2 210 . 1 1 26 26 VAL HG13 H 1 1.082 0.003 . 2 . . . . . . . . 6741 2 211 . 1 1 26 26 VAL HG21 H 1 0.987 0.002 . 2 . . . . . . . . 6741 2 212 . 1 1 26 26 VAL HG22 H 1 0.987 0.002 . 2 . . . . . . . . 6741 2 213 . 1 1 26 26 VAL HG23 H 1 0.987 0.002 . 2 . . . . . . . . 6741 2 214 . 1 1 27 27 CYS H H 1 8.309 0.009 . 1 . . . . . . . . 6741 2 215 . 1 1 27 27 CYS HA H 1 4.473 0.008 . 1 . . . . . . . . 6741 2 216 . 1 1 27 27 CYS HB2 H 1 3.272 0.004 . 1 . . . . . . . . 6741 2 217 . 1 1 27 27 CYS HB3 H 1 3.272 0.004 . 1 . . . . . . . . 6741 2 218 . 1 1 28 28 ARG H H 1 8.080 0.005 . 1 . . . . . . . . 6741 2 219 . 1 1 28 28 ARG HA H 1 4.401 0.005 . 1 . . . . . . . . 6741 2 220 . 1 1 28 28 ARG HB2 H 1 1.883 0.005 . 2 . . . . . . . . 6741 2 221 . 1 1 28 28 ARG HB3 H 1 1.987 0.001 . 2 . . . . . . . . 6741 2 222 . 1 1 28 28 ARG HG2 H 1 1.559 0.008 . 2 . . . . . . . . 6741 2 223 . 1 1 28 28 ARG HG3 H 1 1.630 0.005 . 2 . . . . . . . . 6741 2 224 . 1 1 28 28 ARG HD2 H 1 3.085 0.003 . 1 . . . . . . . . 6741 2 225 . 1 1 28 28 ARG HD3 H 1 3.085 0.003 . 1 . . . . . . . . 6741 2 226 . 1 1 29 29 LEU H H 1 8.477 0.004 . 1 . . . . . . . . 6741 2 227 . 1 1 29 29 LEU HA H 1 4.396 0.000 . 1 . . . . . . . . 6741 2 228 . 1 1 29 29 LEU HB2 H 1 1.824 0.000 . 2 . . . . . . . . 6741 2 229 . 1 1 29 29 LEU HB3 H 1 1.987 0.001 . 2 . . . . . . . . 6741 2 230 . 1 1 29 29 LEU HG H 1 1.627 0.003 . 1 . . . . . . . . 6741 2 231 . 1 1 29 29 LEU HD11 H 1 0.949 0.000 . 2 . . . . . . . . 6741 2 232 . 1 1 29 29 LEU HD12 H 1 0.949 0.000 . 2 . . . . . . . . 6741 2 233 . 1 1 29 29 LEU HD13 H 1 0.949 0.000 . 2 . . . . . . . . 6741 2 234 . 1 1 29 29 LEU HD21 H 1 0.916 0.000 . 2 . . . . . . . . 6741 2 235 . 1 1 29 29 LEU HD22 H 1 0.916 0.000 . 2 . . . . . . . . 6741 2 236 . 1 1 29 29 LEU HD23 H 1 0.916 0.000 . 2 . . . . . . . . 6741 2 237 . 1 1 30 30 VAL H H 1 7.935 0.004 . 1 . . . . . . . . 6741 2 238 . 1 1 30 30 VAL HA H 1 4.356 0.005 . 1 . . . . . . . . 6741 2 239 . 1 1 30 30 VAL HB H 1 2.455 0.002 . 1 . . . . . . . . 6741 2 240 . 1 1 30 30 VAL HG11 H 1 1.022 0.003 . 1 . . . . . . . . 6741 2 241 . 1 1 30 30 VAL HG12 H 1 1.022 0.003 . 1 . . . . . . . . 6741 2 242 . 1 1 30 30 VAL HG13 H 1 1.022 0.003 . 1 . . . . . . . . 6741 2 243 . 1 1 30 30 VAL HG21 H 1 0.987 0.003 . 1 . . . . . . . . 6741 2 244 . 1 1 30 30 VAL HG22 H 1 0.987 0.003 . 1 . . . . . . . . 6741 2 245 . 1 1 30 30 VAL HG23 H 1 0.987 0.003 . 1 . . . . . . . . 6741 2 246 . 1 1 31 31 LEU H H 1 7.840 0.007 . 1 . . . . . . . . 6741 2 247 . 1 1 31 31 LEU HA H 1 4.365 0.003 . 1 . . . . . . . . 6741 2 248 . 1 1 31 31 LEU HB2 H 1 2.103 0.008 . 1 . . . . . . . . 6741 2 249 . 1 1 31 31 LEU HB3 H 1 2.103 0.008 . 1 . . . . . . . . 6741 2 250 . 1 1 31 31 LEU HG H 1 1.590 0.005 . 1 . . . . . . . . 6741 2 251 . 1 1 31 31 LEU HD11 H 1 0.947 0.003 . 1 . . . . . . . . 6741 2 252 . 1 1 31 31 LEU HD12 H 1 0.947 0.003 . 1 . . . . . . . . 6741 2 253 . 1 1 31 31 LEU HD13 H 1 0.947 0.003 . 1 . . . . . . . . 6741 2 254 . 1 1 31 31 LEU HD21 H 1 0.947 0.003 . 1 . . . . . . . . 6741 2 255 . 1 1 31 31 LEU HD22 H 1 0.947 0.003 . 1 . . . . . . . . 6741 2 256 . 1 1 31 31 LEU HD23 H 1 0.947 0.003 . 1 . . . . . . . . 6741 2 257 . 1 1 32 32 ARG H H 1 7.775 0.005 . 1 . . . . . . . . 6741 2 258 . 1 1 32 32 ARG HA H 1 4.507 0.003 . 1 . . . . . . . . 6741 2 259 . 1 1 32 32 ARG HB2 H 1 1.896 0.005 . 2 . . . . . . . . 6741 2 260 . 1 1 32 32 ARG HB3 H 1 2.021 0.002 . 2 . . . . . . . . 6741 2 261 . 1 1 32 32 ARG HG2 H 1 1.706 0.004 . 1 . . . . . . . . 6741 2 262 . 1 1 32 32 ARG HG3 H 1 1.674 0.000 . 1 . . . . . . . . 6741 2 263 . 1 1 32 32 ARG HD2 H 1 3.234 0.004 . 1 . . . . . . . . 6741 2 264 . 1 1 32 32 ARG HD3 H 1 3.234 0.004 . 1 . . . . . . . . 6741 2 265 . 1 1 32 32 ARG HE H 1 7.146 0.003 . 1 . . . . . . . . 6741 2 266 . 1 1 33 33 CYS H H 1 8.303 0.007 . 1 . . . . . . . . 6741 2 267 . 1 1 33 33 CYS HA H 1 4.631 0.001 . 1 . . . . . . . . 6741 2 268 . 1 1 33 33 CYS HB2 H 1 3.189 0.007 . 2 . . . . . . . . 6741 2 269 . 1 1 33 33 CYS HB3 H 1 3.272 0.002 . 2 . . . . . . . . 6741 2 270 . 1 1 34 34 SER H H 1 7.914 0.005 . 1 . . . . . . . . 6741 2 271 . 1 1 34 34 SER HA H 1 4.300 0.002 . 1 . . . . . . . . 6741 2 272 . 1 1 34 34 SER HB2 H 1 3.917 0.005 . 1 . . . . . . . . 6741 2 273 . 1 1 34 34 SER HB3 H 1 3.917 0.005 . 1 . . . . . . . . 6741 2 stop_ save_