data_6291 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6291 _Entry.Title ; Assignment of hypothetical membrane protein ta0354_69_121 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-08-19 _Entry.Accession_date 2004-08-19 _Entry.Last_release_date 2005-05-26 _Entry.Original_release_date 2005-05-26 _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 Bin Wu . . . 6291 2 Adelina Yee . . . 6291 3 Yuanpeng Huang . H. . 6291 4 Theresa Ramelot . . . 6291 5 Alexander Lemak . . . 6291 6 Michael Kennedy . . . 6291 7 Cheryl Arrowsmith . H. . 6291 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6291 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 338 6291 '13C chemical shifts' 205 6291 '15N chemical shifts' 48 6291 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-05-26 2004-08-19 original author . 6291 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6291 _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 ; Solution structure of hypothetical membrane protein ta0354 from Thermoplasma acidophilum ; _Citation.Status published _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Bin Wu . . . 6291 1 2 Adelina Yee . . . 6291 1 3 Yuanpeng Huang . H. . 6291 1 4 Theresa Ramelot . . . 6291 1 5 Alexander Lemak . . . 6291 1 6 Michael Kennedy . . . 6291 1 7 Cheryl Arrowsmith . H. . 6291 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'hypothetical membrane protein ta0354_69_121' 6291 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ta0354 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ta0354 _Assembly.Entry_ID 6291 _Assembly.ID 1 _Assembly.Name 'hypothetical membrane protein ta0354_69_121' _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 ; Northeast Structural Genomics Consortium Target TAT38 / Ontario Center for Structural Proteomics Target ta0354_69_121. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6291 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 ta0354_69_121 1 $ta0354_69_121 . . . native . . . . . 6291 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'hypothetical membrane protein ta0354_69_121' system 6291 1 ta0354 abbreviation 6291 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'hypothetical membrane protein' 6291 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ta0354_69_121 _Entity.Sf_category entity _Entity.Sf_framecode ta0354_69_121 _Entity.Entry_ID 6291 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'hypothetical membrane protein ta0354' _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 ; RNLSDRAKFESMINSPSKSV FVRNLNELEALAVRLGKSYR IQLDQAKEKWKVK ; _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 53 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6193 _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 1X9B . "Solution Nmr Structure Of Protein Ta0354 From Thermoplasma Acidophilum. Ontario Center For Structural Proteomics Target Ta0354_" . . . . . 100.00 53 100.00 100.00 2.54e-28 . . . . 6291 1 2 no EMBL CAC11498 . "hypothetical membrane protein [Thermoplasma acidophilum]" . . . . . 100.00 121 100.00 100.00 2.41e-28 . . . . 6291 1 3 no REF NP_393833 . "hypothetical protein Ta0354 [Thermoplasma acidophilum DSM 1728]" . . . . . 100.00 121 100.00 100.00 2.41e-28 . . . . 6291 1 4 no REF WP_010900782 . "hypothetical protein [Thermoplasma acidophilum]" . . . . . 100.00 121 100.00 100.00 2.41e-28 . . . . 6291 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'hypothetical membrane protein ta0354' common 6291 1 ta0354_69_121 abbreviation 6291 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 . ARG . 6291 1 2 . ASN . 6291 1 3 . LEU . 6291 1 4 . SER . 6291 1 5 . ASP . 6291 1 6 . ARG . 6291 1 7 . ALA . 6291 1 8 . LYS . 6291 1 9 . PHE . 6291 1 10 . GLU . 6291 1 11 . SER . 6291 1 12 . MET . 6291 1 13 . ILE . 6291 1 14 . ASN . 6291 1 15 . SER . 6291 1 16 . PRO . 6291 1 17 . SER . 6291 1 18 . LYS . 6291 1 19 . SER . 6291 1 20 . VAL . 6291 1 21 . PHE . 6291 1 22 . VAL . 6291 1 23 . ARG . 6291 1 24 . ASN . 6291 1 25 . LEU . 6291 1 26 . ASN . 6291 1 27 . GLU . 6291 1 28 . LEU . 6291 1 29 . GLU . 6291 1 30 . ALA . 6291 1 31 . LEU . 6291 1 32 . ALA . 6291 1 33 . VAL . 6291 1 34 . ARG . 6291 1 35 . LEU . 6291 1 36 . GLY . 6291 1 37 . LYS . 6291 1 38 . SER . 6291 1 39 . TYR . 6291 1 40 . ARG . 6291 1 41 . ILE . 6291 1 42 . GLN . 6291 1 43 . LEU . 6291 1 44 . ASP . 6291 1 45 . GLN . 6291 1 46 . ALA . 6291 1 47 . LYS . 6291 1 48 . GLU . 6291 1 49 . LYS . 6291 1 50 . TRP . 6291 1 51 . LYS . 6291 1 52 . VAL . 6291 1 53 . LYS . 6291 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 . ARG 1 1 6291 1 . ASN 2 2 6291 1 . LEU 3 3 6291 1 . SER 4 4 6291 1 . ASP 5 5 6291 1 . ARG 6 6 6291 1 . ALA 7 7 6291 1 . LYS 8 8 6291 1 . PHE 9 9 6291 1 . GLU 10 10 6291 1 . SER 11 11 6291 1 . MET 12 12 6291 1 . ILE 13 13 6291 1 . ASN 14 14 6291 1 . SER 15 15 6291 1 . PRO 16 16 6291 1 . SER 17 17 6291 1 . LYS 18 18 6291 1 . SER 19 19 6291 1 . VAL 20 20 6291 1 . PHE 21 21 6291 1 . VAL 22 22 6291 1 . ARG 23 23 6291 1 . ASN 24 24 6291 1 . LEU 25 25 6291 1 . ASN 26 26 6291 1 . GLU 27 27 6291 1 . LEU 28 28 6291 1 . GLU 29 29 6291 1 . ALA 30 30 6291 1 . LEU 31 31 6291 1 . ALA 32 32 6291 1 . VAL 33 33 6291 1 . ARG 34 34 6291 1 . LEU 35 35 6291 1 . GLY 36 36 6291 1 . LYS 37 37 6291 1 . SER 38 38 6291 1 . TYR 39 39 6291 1 . ARG 40 40 6291 1 . ILE 41 41 6291 1 . GLN 42 42 6291 1 . LEU 43 43 6291 1 . ASP 44 44 6291 1 . GLN 45 45 6291 1 . ALA 46 46 6291 1 . LYS 47 47 6291 1 . GLU 48 48 6291 1 . LYS 49 49 6291 1 . TRP 50 50 6291 1 . LYS 51 51 6291 1 . VAL 52 52 6291 1 . LYS 53 53 6291 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 6291 _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 $ta0354_69_121 . 2303 . . 'thermoplasma acidophilum' 'Thermoplasma acidophilum' . . Archaea . thermoplasma acidophilum . . . . . . . . . . . . . . . . . . . . . 6291 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 6291 _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 $ta0354_69_121 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . plasmid . . PET15B . . . . . . 6291 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6291 _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 'hypothetical membrane protein ta0354' '[U-13C; U-15N]' . . 1 $ta0354_69_121 . . 1 . . mM . . . . 6291 1 2 NaCl . . . . . . . 450 . . mM . . . . 6291 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_set1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_set1 _Sample_condition_list.Entry_ID 6291 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.2 pH 6291 1 temperature 298 1 K 6291 1 'ionic strength' 0.45 . M 6291 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 6291 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.95 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral analysis' 6291 1 assignemt 6291 1 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 6291 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6291 _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 Varian INOVA . 600 . . . 6291 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 6291 _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 '15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6291 1 2 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6291 1 3 CBCAcoNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6291 1 4 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6291 1 5 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6291 1 6 HNcoCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6291 1 7 CCTOCSY_NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6291 1 8 HCCTOCSY_NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6291 1 9 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6291 1 10 '13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6291 1 11 HCCHCOSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6291 1 12 HCCHTOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6291 1 13 '15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6291 1 14 '13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6291 1 15 '13,13C 4d CCNOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6291 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 6291 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N HSQC' _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 6291 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _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 6291 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCAcoNH _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 6291 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6291 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCA _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6291 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNcoCA _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6291 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CCTOCSY_NH _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6291 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCTOCSY_NH _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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6291 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNHA _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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6291 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '13C HSQC' _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_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6291 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HCCHCOSY _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_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 6291 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HCCHTOCSY _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_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 6291 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '15N 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_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 6291 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '13C 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_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 6291 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '13,13C 4d CCNOESY' _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 6291 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 6291 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6291 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6291 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 6291 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_set1 _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 '15N HSQC' 1 $sample_1 . 6291 1 2 HNCO 1 $sample_1 . 6291 1 3 CBCAcoNH 1 $sample_1 . 6291 1 4 HNCACB 1 $sample_1 . 6291 1 5 HNCA 1 $sample_1 . 6291 1 6 HNcoCA 1 $sample_1 . 6291 1 7 CCTOCSY_NH 1 $sample_1 . 6291 1 8 HCCTOCSY_NH 1 $sample_1 . 6291 1 9 HNHA 1 $sample_1 . 6291 1 10 '13C HSQC' 1 $sample_1 . 6291 1 11 HCCHCOSY 1 $sample_1 . 6291 1 12 HCCHTOCSY 1 $sample_1 . 6291 1 13 '15N NOESY' 1 $sample_1 . 6291 1 14 '13C NOESY' 1 $sample_1 . 6291 1 15 '13,13C 4d CCNOESY' 1 $sample_1 . 6291 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 5 5 ASP CA C 13 57.6 0.5 . 1 . . . . . . . . 6291 1 2 . 1 1 5 5 ASP HA H 1 4.40 0.05 . 1 . . . . . . . . 6291 1 3 . 1 1 5 5 ASP CB C 13 40.2 0.5 . 1 . . . . . . . . 6291 1 4 . 1 1 5 5 ASP HB2 H 1 2.70 0.05 . 2 . . . . . . . . 6291 1 5 . 1 1 5 5 ASP HB3 H 1 2.41 0.05 . 2 . . . . . . . . 6291 1 6 . 1 1 5 5 ASP C C 13 178.0 0.5 . 1 . . . . . . . . 6291 1 7 . 1 1 6 6 ARG N N 15 119.5 0.5 . 1 . . . . . . . . 6291 1 8 . 1 1 6 6 ARG H H 1 8.26 0.05 . 1 . . . . . . . . 6291 1 9 . 1 1 6 6 ARG CA C 13 60.1 0.5 . 1 . . . . . . . . 6291 1 10 . 1 1 6 6 ARG HA H 1 3.77 0.05 . 1 . . . . . . . . 6291 1 11 . 1 1 6 6 ARG CB C 13 30.1 0.5 . 1 . . . . . . . . 6291 1 12 . 1 1 6 6 ARG HB2 H 1 1.81 0.05 . 1 . . . . . . . . 6291 1 13 . 1 1 6 6 ARG HB3 H 1 1.81 0.05 . 1 . . . . . . . . 6291 1 14 . 1 1 6 6 ARG CG C 13 27.9 0.5 . 1 . . . . . . . . 6291 1 15 . 1 1 6 6 ARG HG2 H 1 1.74 0.05 . 2 . . . . . . . . 6291 1 16 . 1 1 6 6 ARG HG3 H 1 1.57 0.05 . 2 . . . . . . . . 6291 1 17 . 1 1 6 6 ARG CD C 13 43.8 0.5 . 1 . . . . . . . . 6291 1 18 . 1 1 6 6 ARG HD2 H 1 3.23 0.05 . 2 . . . . . . . . 6291 1 19 . 1 1 6 6 ARG HD3 H 1 3.18 0.05 . 2 . . . . . . . . 6291 1 20 . 1 1 6 6 ARG C C 13 177.8 0.5 . 1 . . . . . . . . 6291 1 21 . 1 1 7 7 ALA N N 15 121.9 0.5 . 1 . . . . . . . . 6291 1 22 . 1 1 7 7 ALA H H 1 7.93 0.05 . 1 . . . . . . . . 6291 1 23 . 1 1 7 7 ALA CA C 13 54.9 0.5 . 1 . . . . . . . . 6291 1 24 . 1 1 7 7 ALA HA H 1 4.25 0.05 . 1 . . . . . . . . 6291 1 25 . 1 1 7 7 ALA HB1 H 1 1.54 0.05 . 1 . . . . . . . . 6291 1 26 . 1 1 7 7 ALA HB2 H 1 1.54 0.05 . 1 . . . . . . . . 6291 1 27 . 1 1 7 7 ALA HB3 H 1 1.54 0.05 . 1 . . . . . . . . 6291 1 28 . 1 1 7 7 ALA CB C 13 18.6 0.5 . 1 . . . . . . . . 6291 1 29 . 1 1 7 7 ALA C C 13 181.0 0.5 . 1 . . . . . . . . 6291 1 30 . 1 1 8 8 LYS N N 15 120.9 0.5 . 1 . . . . . . . . 6291 1 31 . 1 1 8 8 LYS H H 1 8.51 0.05 . 1 . . . . . . . . 6291 1 32 . 1 1 8 8 LYS CA C 13 59.7 0.5 . 1 . . . . . . . . 6291 1 33 . 1 1 8 8 LYS HA H 1 3.97 0.05 . 1 . . . . . . . . 6291 1 34 . 1 1 8 8 LYS CB C 13 32.8 0.5 . 1 . . . . . . . . 6291 1 35 . 1 1 8 8 LYS HB2 H 1 1.98 0.05 . 2 . . . . . . . . 6291 1 36 . 1 1 8 8 LYS HB3 H 1 1.87 0.05 . 2 . . . . . . . . 6291 1 37 . 1 1 8 8 LYS CG C 13 25.8 0.5 . 1 . . . . . . . . 6291 1 38 . 1 1 8 8 LYS HG2 H 1 1.52 0.05 . 2 . . . . . . . . 6291 1 39 . 1 1 8 8 LYS HG3 H 1 1.39 0.05 . 2 . . . . . . . . 6291 1 40 . 1 1 8 8 LYS CD C 13 29.7 0.5 . 1 . . . . . . . . 6291 1 41 . 1 1 8 8 LYS HD2 H 1 1.71 0.05 . 1 . . . . . . . . 6291 1 42 . 1 1 8 8 LYS HD3 H 1 1.71 0.05 . 1 . . . . . . . . 6291 1 43 . 1 1 8 8 LYS CE C 13 42.2 0.5 . 1 . . . . . . . . 6291 1 44 . 1 1 8 8 LYS HE2 H 1 2.95 0.05 . 1 . . . . . . . . 6291 1 45 . 1 1 8 8 LYS HE3 H 1 2.95 0.05 . 1 . . . . . . . . 6291 1 46 . 1 1 8 8 LYS C C 13 178.6 0.5 . 1 . . . . . . . . 6291 1 47 . 1 1 9 9 PHE N N 15 120.4 0.5 . 1 . . . . . . . . 6291 1 48 . 1 1 9 9 PHE H H 1 8.55 0.05 . 1 . . . . . . . . 6291 1 49 . 1 1 9 9 PHE CA C 13 62.4 0.5 . 1 . . . . . . . . 6291 1 50 . 1 1 9 9 PHE HA H 1 3.77 0.05 . 1 . . . . . . . . 6291 1 51 . 1 1 9 9 PHE CB C 13 39.8 0.5 . 1 . . . . . . . . 6291 1 52 . 1 1 9 9 PHE HB2 H 1 3.36 0.05 . 2 . . . . . . . . 6291 1 53 . 1 1 9 9 PHE HB3 H 1 2.96 0.05 . 2 . . . . . . . . 6291 1 54 . 1 1 9 9 PHE HD1 H 1 7.26 0.05 . 1 . . . . . . . . 6291 1 55 . 1 1 9 9 PHE HD2 H 1 7.26 0.05 . 1 . . . . . . . . 6291 1 56 . 1 1 9 9 PHE HE1 H 1 7.47 0.05 . 1 . . . . . . . . 6291 1 57 . 1 1 9 9 PHE HE2 H 1 7.47 0.05 . 1 . . . . . . . . 6291 1 58 . 1 1 9 9 PHE CD1 C 13 132.6 0.5 . 1 . . . . . . . . 6291 1 59 . 1 1 9 9 PHE CE1 C 13 131.2 0.5 . 1 . . . . . . . . 6291 1 60 . 1 1 9 9 PHE C C 13 176.8 0.5 . 1 . . . . . . . . 6291 1 61 . 1 1 10 10 GLU N N 15 117.7 0.5 . 1 . . . . . . . . 6291 1 62 . 1 1 10 10 GLU H H 1 8.61 0.05 . 1 . . . . . . . . 6291 1 63 . 1 1 10 10 GLU CA C 13 59.4 0.5 . 1 . . . . . . . . 6291 1 64 . 1 1 10 10 GLU HA H 1 4.07 0.05 . 1 . . . . . . . . 6291 1 65 . 1 1 10 10 GLU CB C 13 29.8 0.5 . 1 . . . . . . . . 6291 1 66 . 1 1 10 10 GLU HB2 H 1 2.28 0.05 . 2 . . . . . . . . 6291 1 67 . 1 1 10 10 GLU HB3 H 1 2.17 0.05 . 2 . . . . . . . . 6291 1 68 . 1 1 10 10 GLU CG C 13 37.0 0.5 . 1 . . . . . . . . 6291 1 69 . 1 1 10 10 GLU HG2 H 1 2.70 0.05 . 2 . . . . . . . . 6291 1 70 . 1 1 10 10 GLU HG3 H 1 2.51 0.05 . 2 . . . . . . . . 6291 1 71 . 1 1 10 10 GLU C C 13 178.7 0.5 . 1 . . . . . . . . 6291 1 72 . 1 1 11 11 SER N N 15 112.6 0.5 . 1 . . . . . . . . 6291 1 73 . 1 1 11 11 SER H H 1 7.93 0.05 . 1 . . . . . . . . 6291 1 74 . 1 1 11 11 SER CA C 13 61.0 0.5 . 1 . . . . . . . . 6291 1 75 . 1 1 11 11 SER HA H 1 4.35 0.05 . 1 . . . . . . . . 6291 1 76 . 1 1 11 11 SER CB C 13 63.2 0.5 . 1 . . . . . . . . 6291 1 77 . 1 1 11 11 SER HB2 H 1 4.03 0.05 . 1 . . . . . . . . 6291 1 78 . 1 1 11 11 SER HB3 H 1 4.03 0.05 . 1 . . . . . . . . 6291 1 79 . 1 1 11 11 SER C C 13 176.7 0.5 . 1 . . . . . . . . 6291 1 80 . 1 1 12 12 MET N N 15 118.7 0.5 . 1 . . . . . . . . 6291 1 81 . 1 1 12 12 MET H H 1 7.95 0.05 . 1 . . . . . . . . 6291 1 82 . 1 1 12 12 MET CA C 13 58.5 0.5 . 1 . . . . . . . . 6291 1 83 . 1 1 12 12 MET HA H 1 4.19 0.05 . 1 . . . . . . . . 6291 1 84 . 1 1 12 12 MET CB C 13 35.4 0.5 . 1 . . . . . . . . 6291 1 85 . 1 1 12 12 MET HB2 H 1 2.04 0.05 . 2 . . . . . . . . 6291 1 86 . 1 1 12 12 MET HB3 H 1 1.65 0.05 . 2 . . . . . . . . 6291 1 87 . 1 1 12 12 MET CG C 13 33.3 0.5 . 1 . . . . . . . . 6291 1 88 . 1 1 12 12 MET HG2 H 1 2.80 0.05 . 2 . . . . . . . . 6291 1 89 . 1 1 12 12 MET HG3 H 1 2.19 0.05 . 2 . . . . . . . . 6291 1 90 . 1 1 12 12 MET HE1 H 1 1.87 0.05 . 1 . . . . . . . . 6291 1 91 . 1 1 12 12 MET HE2 H 1 1.87 0.05 . 1 . . . . . . . . 6291 1 92 . 1 1 12 12 MET HE3 H 1 1.87 0.05 . 1 . . . . . . . . 6291 1 93 . 1 1 12 12 MET CE C 13 17.5 0.5 . 1 . . . . . . . . 6291 1 94 . 1 1 12 12 MET C C 13 178.9 0.5 . 1 . . . . . . . . 6291 1 95 . 1 1 13 13 ILE N N 15 121.1 0.5 . 1 . . . . . . . . 6291 1 96 . 1 1 13 13 ILE H H 1 8.74 0.05 . 1 . . . . . . . . 6291 1 97 . 1 1 13 13 ILE CA C 13 61.9 0.5 . 1 . . . . . . . . 6291 1 98 . 1 1 13 13 ILE HA H 1 4.11 0.05 . 1 . . . . . . . . 6291 1 99 . 1 1 13 13 ILE CB C 13 36.8 0.5 . 1 . . . . . . . . 6291 1 100 . 1 1 13 13 ILE HB H 1 1.37 0.05 . 1 . . . . . . . . 6291 1 101 . 1 1 13 13 ILE HG21 H 1 0.97 0.05 . 1 . . . . . . . . 6291 1 102 . 1 1 13 13 ILE HG22 H 1 0.97 0.05 . 1 . . . . . . . . 6291 1 103 . 1 1 13 13 ILE HG23 H 1 0.97 0.05 . 1 . . . . . . . . 6291 1 104 . 1 1 13 13 ILE CG2 C 13 18.5 0.5 . 1 . . . . . . . . 6291 1 105 . 1 1 13 13 ILE CG1 C 13 29.3 0.5 . 1 . . . . . . . . 6291 1 106 . 1 1 13 13 ILE HG12 H 1 1.40 0.05 . 1 . . . . . . . . 6291 1 107 . 1 1 13 13 ILE HG13 H 1 1.40 0.05 . 1 . . . . . . . . 6291 1 108 . 1 1 13 13 ILE HD11 H 1 0.90 0.05 . 1 . . . . . . . . 6291 1 109 . 1 1 13 13 ILE HD12 H 1 0.90 0.05 . 1 . . . . . . . . 6291 1 110 . 1 1 13 13 ILE HD13 H 1 0.90 0.05 . 1 . . . . . . . . 6291 1 111 . 1 1 13 13 ILE CD1 C 13 14.5 0.5 . 1 . . . . . . . . 6291 1 112 . 1 1 13 13 ILE C C 13 176.0 0.5 . 1 . . . . . . . . 6291 1 113 . 1 1 14 14 ASN N N 15 120.2 0.5 . 1 . . . . . . . . 6291 1 114 . 1 1 14 14 ASN H H 1 7.29 0.05 . 1 . . . . . . . . 6291 1 115 . 1 1 14 14 ASN CA C 13 52.8 0.5 . 1 . . . . . . . . 6291 1 116 . 1 1 14 14 ASN HA H 1 5.02 0.05 . 1 . . . . . . . . 6291 1 117 . 1 1 14 14 ASN CB C 13 38.2 0.5 . 1 . . . . . . . . 6291 1 118 . 1 1 14 14 ASN HB2 H 1 3.03 0.05 . 2 . . . . . . . . 6291 1 119 . 1 1 14 14 ASN HB3 H 1 2.78 0.05 . 2 . . . . . . . . 6291 1 120 . 1 1 14 14 ASN ND2 N 15 114.9 0.5 . 1 . . . . . . . . 6291 1 121 . 1 1 14 14 ASN HD21 H 1 7.76 0.05 . 2 . . . . . . . . 6291 1 122 . 1 1 14 14 ASN HD22 H 1 7.08 0.05 . 2 . . . . . . . . 6291 1 123 . 1 1 16 16 PRO CD C 13 51.4 0.5 . 1 . . . . . . . . 6291 1 124 . 1 1 16 16 PRO CA C 13 63.9 0.5 . 1 . . . . . . . . 6291 1 125 . 1 1 16 16 PRO HA H 1 4.73 0.05 . 1 . . . . . . . . 6291 1 126 . 1 1 16 16 PRO CB C 13 32.4 0.5 . 1 . . . . . . . . 6291 1 127 . 1 1 16 16 PRO HB2 H 1 2.36 0.05 . 2 . . . . . . . . 6291 1 128 . 1 1 16 16 PRO HB3 H 1 2.20 0.05 . 2 . . . . . . . . 6291 1 129 . 1 1 16 16 PRO CG C 13 27.0 0.5 . 1 . . . . . . . . 6291 1 130 . 1 1 16 16 PRO HG2 H 1 2.21 0.05 . 2 . . . . . . . . 6291 1 131 . 1 1 16 16 PRO HG3 H 1 1.99 0.05 . 2 . . . . . . . . 6291 1 132 . 1 1 16 16 PRO HD2 H 1 3.96 0.05 . 2 . . . . . . . . 6291 1 133 . 1 1 16 16 PRO HD3 H 1 3.75 0.05 . 2 . . . . . . . . 6291 1 134 . 1 1 16 16 PRO C C 13 175.5 0.5 . 1 . . . . . . . . 6291 1 135 . 1 1 17 17 SER N N 15 111.3 0.5 . 1 . . . . . . . . 6291 1 136 . 1 1 17 17 SER H H 1 7.11 0.05 . 1 . . . . . . . . 6291 1 137 . 1 1 17 17 SER CA C 13 55.8 0.5 . 1 . . . . . . . . 6291 1 138 . 1 1 17 17 SER HA H 1 4.62 0.05 . 1 . . . . . . . . 6291 1 139 . 1 1 17 17 SER CB C 13 65.7 0.5 . 1 . . . . . . . . 6291 1 140 . 1 1 17 17 SER HB2 H 1 4.02 0.05 . 2 . . . . . . . . 6291 1 141 . 1 1 17 17 SER HB3 H 1 3.81 0.05 . 2 . . . . . . . . 6291 1 142 . 1 1 17 17 SER C C 13 172.8 0.5 . 1 . . . . . . . . 6291 1 143 . 1 1 18 18 LYS N N 15 125.2 0.5 . 1 . . . . . . . . 6291 1 144 . 1 1 18 18 LYS H H 1 8.48 0.05 . 1 . . . . . . . . 6291 1 145 . 1 1 18 18 LYS CA C 13 59.1 0.5 . 1 . . . . . . . . 6291 1 146 . 1 1 18 18 LYS HA H 1 4.14 0.05 . 1 . . . . . . . . 6291 1 147 . 1 1 18 18 LYS C C 13 177.5 0.5 . 1 . . . . . . . . 6291 1 148 . 1 1 19 19 SER N N 15 111.5 0.5 . 1 . . . . . . . . 6291 1 149 . 1 1 19 19 SER H H 1 8.22 0.05 . 1 . . . . . . . . 6291 1 150 . 1 1 19 19 SER CA C 13 61.2 0.5 . 1 . . . . . . . . 6291 1 151 . 1 1 19 19 SER HA H 1 4.00 0.05 . 1 . . . . . . . . 6291 1 152 . 1 1 19 19 SER CB C 13 62.1 0.5 . 1 . . . . . . . . 6291 1 153 . 1 1 19 19 SER HB2 H 1 3.82 0.05 . 1 . . . . . . . . 6291 1 154 . 1 1 19 19 SER HB3 H 1 3.82 0.05 . 1 . . . . . . . . 6291 1 155 . 1 1 19 19 SER C C 13 177.2 0.5 . 1 . . . . . . . . 6291 1 156 . 1 1 20 20 VAL N N 15 122.7 0.5 . 1 . . . . . . . . 6291 1 157 . 1 1 20 20 VAL H H 1 7.11 0.05 . 1 . . . . . . . . 6291 1 158 . 1 1 20 20 VAL CA C 13 66.1 0.5 . 1 . . . . . . . . 6291 1 159 . 1 1 20 20 VAL HA H 1 3.51 0.05 . 1 . . . . . . . . 6291 1 160 . 1 1 20 20 VAL CB C 13 32.3 0.5 . 1 . . . . . . . . 6291 1 161 . 1 1 20 20 VAL HB H 1 1.83 0.05 . 1 . . . . . . . . 6291 1 162 . 1 1 20 20 VAL HG11 H 1 0.95 0.05 . 2 . . . . . . . . 6291 1 163 . 1 1 20 20 VAL HG12 H 1 0.95 0.05 . 2 . . . . . . . . 6291 1 164 . 1 1 20 20 VAL HG13 H 1 0.95 0.05 . 2 . . . . . . . . 6291 1 165 . 1 1 20 20 VAL HG21 H 1 1.01 0.05 . 2 . . . . . . . . 6291 1 166 . 1 1 20 20 VAL HG22 H 1 1.01 0.05 . 2 . . . . . . . . 6291 1 167 . 1 1 20 20 VAL HG23 H 1 1.01 0.05 . 2 . . . . . . . . 6291 1 168 . 1 1 20 20 VAL CG1 C 13 23.4 0.5 . 1 . . . . . . . . 6291 1 169 . 1 1 20 20 VAL CG2 C 13 21.8 0.5 . 1 . . . . . . . . 6291 1 170 . 1 1 20 20 VAL C C 13 176.6 0.5 . 1 . . . . . . . . 6291 1 171 . 1 1 21 21 PHE N N 15 121.2 0.5 . 1 . . . . . . . . 6291 1 172 . 1 1 21 21 PHE H H 1 7.63 0.05 . 1 . . . . . . . . 6291 1 173 . 1 1 21 21 PHE CA C 13 62.5 0.5 . 1 . . . . . . . . 6291 1 174 . 1 1 21 21 PHE HA H 1 3.98 0.05 . 1 . . . . . . . . 6291 1 175 . 1 1 21 21 PHE CB C 13 39.1 0.5 . 1 . . . . . . . . 6291 1 176 . 1 1 21 21 PHE HB2 H 1 2.58 0.05 . 2 . . . . . . . . 6291 1 177 . 1 1 21 21 PHE HB3 H 1 2.53 0.05 . 2 . . . . . . . . 6291 1 178 . 1 1 21 21 PHE HD1 H 1 7.03 0.05 . 1 . . . . . . . . 6291 1 179 . 1 1 21 21 PHE HD2 H 1 7.03 0.05 . 1 . . . . . . . . 6291 1 180 . 1 1 21 21 PHE HE1 H 1 7.19 0.05 . 1 . . . . . . . . 6291 1 181 . 1 1 21 21 PHE HE2 H 1 7.19 0.05 . 1 . . . . . . . . 6291 1 182 . 1 1 21 21 PHE CD1 C 13 132.0 0.5 . 1 . . . . . . . . 6291 1 183 . 1 1 21 21 PHE CE1 C 13 130.6 0.5 . 1 . . . . . . . . 6291 1 184 . 1 1 21 21 PHE CZ C 13 128.8 0.5 . 1 . . . . . . . . 6291 1 185 . 1 1 21 21 PHE HZ H 1 7.11 0.05 . 1 . . . . . . . . 6291 1 186 . 1 1 21 21 PHE C C 13 177.0 0.5 . 1 . . . . . . . . 6291 1 187 . 1 1 22 22 VAL N N 15 114.7 0.5 . 1 . . . . . . . . 6291 1 188 . 1 1 22 22 VAL H H 1 8.63 0.05 . 1 . . . . . . . . 6291 1 189 . 1 1 22 22 VAL CA C 13 66.4 0.5 . 1 . . . . . . . . 6291 1 190 . 1 1 22 22 VAL HA H 1 3.42 0.05 . 1 . . . . . . . . 6291 1 191 . 1 1 22 22 VAL CB C 13 31.6 0.5 . 1 . . . . . . . . 6291 1 192 . 1 1 22 22 VAL HB H 1 2.09 0.05 . 1 . . . . . . . . 6291 1 193 . 1 1 22 22 VAL HG11 H 1 1.12 0.05 . 2 . . . . . . . . 6291 1 194 . 1 1 22 22 VAL HG12 H 1 1.12 0.05 . 2 . . . . . . . . 6291 1 195 . 1 1 22 22 VAL HG13 H 1 1.12 0.05 . 2 . . . . . . . . 6291 1 196 . 1 1 22 22 VAL HG21 H 1 0.98 0.05 . 2 . . . . . . . . 6291 1 197 . 1 1 22 22 VAL HG22 H 1 0.98 0.05 . 2 . . . . . . . . 6291 1 198 . 1 1 22 22 VAL HG23 H 1 0.98 0.05 . 2 . . . . . . . . 6291 1 199 . 1 1 22 22 VAL CG1 C 13 23.5 0.5 . 1 . . . . . . . . 6291 1 200 . 1 1 22 22 VAL CG2 C 13 21.5 0.5 . 1 . . . . . . . . 6291 1 201 . 1 1 22 22 VAL C C 13 179.4 0.5 . 1 . . . . . . . . 6291 1 202 . 1 1 23 23 ARG N N 15 120.8 0.5 . 1 . . . . . . . . 6291 1 203 . 1 1 23 23 ARG H H 1 7.59 0.05 . 1 . . . . . . . . 6291 1 204 . 1 1 23 23 ARG CA C 13 59.1 0.5 . 1 . . . . . . . . 6291 1 205 . 1 1 23 23 ARG HA H 1 4.09 0.05 . 1 . . . . . . . . 6291 1 206 . 1 1 23 23 ARG CB C 13 30.0 0.5 . 1 . . . . . . . . 6291 1 207 . 1 1 23 23 ARG HB2 H 1 1.95 0.05 . 1 . . . . . . . . 6291 1 208 . 1 1 23 23 ARG HB3 H 1 1.95 0.05 . 1 . . . . . . . . 6291 1 209 . 1 1 23 23 ARG CG C 13 27.4 0.5 . 1 . . . . . . . . 6291 1 210 . 1 1 23 23 ARG HG2 H 1 1.75 0.05 . 2 . . . . . . . . 6291 1 211 . 1 1 23 23 ARG HG3 H 1 1.70 0.05 . 2 . . . . . . . . 6291 1 212 . 1 1 23 23 ARG CD C 13 43.8 0.5 . 1 . . . . . . . . 6291 1 213 . 1 1 23 23 ARG HD2 H 1 3.18 0.05 . 1 . . . . . . . . 6291 1 214 . 1 1 23 23 ARG HD3 H 1 3.18 0.05 . 1 . . . . . . . . 6291 1 215 . 1 1 23 23 ARG C C 13 177.8 0.5 . 1 . . . . . . . . 6291 1 216 . 1 1 24 24 ASN N N 15 116.0 0.5 . 1 . . . . . . . . 6291 1 217 . 1 1 24 24 ASN H H 1 7.53 0.05 . 1 . . . . . . . . 6291 1 218 . 1 1 24 24 ASN CA C 13 53.4 0.5 . 1 . . . . . . . . 6291 1 219 . 1 1 24 24 ASN HA H 1 4.88 0.05 . 1 . . . . . . . . 6291 1 220 . 1 1 24 24 ASN CB C 13 39.8 0.5 . 1 . . . . . . . . 6291 1 221 . 1 1 24 24 ASN HB2 H 1 3.11 0.05 . 2 . . . . . . . . 6291 1 222 . 1 1 24 24 ASN HB3 H 1 2.54 0.05 . 2 . . . . . . . . 6291 1 223 . 1 1 24 24 ASN ND2 N 15 113.1 0.5 . 1 . . . . . . . . 6291 1 224 . 1 1 24 24 ASN HD21 H 1 7.07 0.05 . 1 . . . . . . . . 6291 1 225 . 1 1 24 24 ASN HD22 H 1 7.07 0.05 . 1 . . . . . . . . 6291 1 226 . 1 1 24 24 ASN C C 13 175.9 0.5 . 1 . . . . . . . . 6291 1 227 . 1 1 25 25 LEU N N 15 123.1 0.5 . 1 . . . . . . . . 6291 1 228 . 1 1 25 25 LEU H H 1 7.40 0.05 . 1 . . . . . . . . 6291 1 229 . 1 1 25 25 LEU CA C 13 58.9 0.5 . 1 . . . . . . . . 6291 1 230 . 1 1 25 25 LEU HA H 1 3.67 0.05 . 1 . . . . . . . . 6291 1 231 . 1 1 25 25 LEU CB C 13 41.9 0.5 . 1 . . . . . . . . 6291 1 232 . 1 1 25 25 LEU HB2 H 1 1.66 0.05 . 2 . . . . . . . . 6291 1 233 . 1 1 25 25 LEU HB3 H 1 1.52 0.05 . 2 . . . . . . . . 6291 1 234 . 1 1 25 25 LEU CG C 13 27.0 0.5 . 1 . . . . . . . . 6291 1 235 . 1 1 25 25 LEU HG H 1 1.53 0.05 . 1 . . . . . . . . 6291 1 236 . 1 1 25 25 LEU HD11 H 1 0.82 0.05 . 2 . . . . . . . . 6291 1 237 . 1 1 25 25 LEU HD12 H 1 0.82 0.05 . 2 . . . . . . . . 6291 1 238 . 1 1 25 25 LEU HD13 H 1 0.82 0.05 . 2 . . . . . . . . 6291 1 239 . 1 1 25 25 LEU HD21 H 1 0.85 0.05 . 2 . . . . . . . . 6291 1 240 . 1 1 25 25 LEU HD22 H 1 0.85 0.05 . 2 . . . . . . . . 6291 1 241 . 1 1 25 25 LEU HD23 H 1 0.85 0.05 . 2 . . . . . . . . 6291 1 242 . 1 1 25 25 LEU CD1 C 13 25.9 0.5 . 1 . . . . . . . . 6291 1 243 . 1 1 25 25 LEU CD2 C 13 24.6 0.5 . 1 . . . . . . . . 6291 1 244 . 1 1 25 25 LEU C C 13 177.4 0.5 . 1 . . . . . . . . 6291 1 245 . 1 1 26 26 ASN N N 15 116.5 0.5 . 1 . . . . . . . . 6291 1 246 . 1 1 26 26 ASN H H 1 8.65 0.05 . 1 . . . . . . . . 6291 1 247 . 1 1 26 26 ASN CA C 13 56.9 0.5 . 1 . . . . . . . . 6291 1 248 . 1 1 26 26 ASN HA H 1 4.38 0.05 . 1 . . . . . . . . 6291 1 249 . 1 1 26 26 ASN CB C 13 37.8 0.5 . 1 . . . . . . . . 6291 1 250 . 1 1 26 26 ASN HB2 H 1 2.84 0.05 . 2 . . . . . . . . 6291 1 251 . 1 1 26 26 ASN HB3 H 1 2.76 0.05 . 2 . . . . . . . . 6291 1 252 . 1 1 26 26 ASN C C 13 178.4 0.5 . 1 . . . . . . . . 6291 1 253 . 1 1 27 27 GLU N N 15 121.7 0.5 . 1 . . . . . . . . 6291 1 254 . 1 1 27 27 GLU H H 1 8.11 0.05 . 1 . . . . . . . . 6291 1 255 . 1 1 27 27 GLU CA C 13 59.1 0.5 . 1 . . . . . . . . 6291 1 256 . 1 1 27 27 GLU HA H 1 4.15 0.05 . 1 . . . . . . . . 6291 1 257 . 1 1 27 27 GLU CB C 13 29.7 0.5 . 1 . . . . . . . . 6291 1 258 . 1 1 27 27 GLU HB2 H 1 2.02 0.05 . 2 . . . . . . . . 6291 1 259 . 1 1 27 27 GLU HB3 H 1 1.94 0.05 . 2 . . . . . . . . 6291 1 260 . 1 1 27 27 GLU CG C 13 36.5 0.5 . 1 . . . . . . . . 6291 1 261 . 1 1 27 27 GLU HG2 H 1 2.32 0.05 . 2 . . . . . . . . 6291 1 262 . 1 1 27 27 GLU HG3 H 1 2.21 0.05 . 2 . . . . . . . . 6291 1 263 . 1 1 27 27 GLU C C 13 179.0 0.5 . 1 . . . . . . . . 6291 1 264 . 1 1 28 28 LEU N N 15 120.2 0.5 . 1 . . . . . . . . 6291 1 265 . 1 1 28 28 LEU H H 1 8.50 0.05 . 1 . . . . . . . . 6291 1 266 . 1 1 28 28 LEU CA C 13 58.7 0.5 . 1 . . . . . . . . 6291 1 267 . 1 1 28 28 LEU HA H 1 3.99 0.05 . 1 . . . . . . . . 6291 1 268 . 1 1 28 28 LEU CB C 13 42.8 0.5 . 1 . . . . . . . . 6291 1 269 . 1 1 28 28 LEU HB2 H 1 2.07 0.05 . 2 . . . . . . . . 6291 1 270 . 1 1 28 28 LEU HB3 H 1 1.38 0.05 . 2 . . . . . . . . 6291 1 271 . 1 1 28 28 LEU CG C 13 27.0 0.5 . 1 . . . . . . . . 6291 1 272 . 1 1 28 28 LEU HG H 1 1.50 0.05 . 1 . . . . . . . . 6291 1 273 . 1 1 28 28 LEU HD11 H 1 0.52 0.05 . 2 . . . . . . . . 6291 1 274 . 1 1 28 28 LEU HD12 H 1 0.52 0.05 . 2 . . . . . . . . 6291 1 275 . 1 1 28 28 LEU HD13 H 1 0.52 0.05 . 2 . . . . . . . . 6291 1 276 . 1 1 28 28 LEU HD21 H 1 0.42 0.05 . 2 . . . . . . . . 6291 1 277 . 1 1 28 28 LEU HD22 H 1 0.42 0.05 . 2 . . . . . . . . 6291 1 278 . 1 1 28 28 LEU HD23 H 1 0.42 0.05 . 2 . . . . . . . . 6291 1 279 . 1 1 28 28 LEU CD1 C 13 25.8 0.5 . 1 . . . . . . . . 6291 1 280 . 1 1 28 28 LEU CD2 C 13 25.6 0.5 . 1 . . . . . . . . 6291 1 281 . 1 1 28 28 LEU C C 13 178.8 0.5 . 1 . . . . . . . . 6291 1 282 . 1 1 29 29 GLU N N 15 118.2 0.5 . 1 . . . . . . . . 6291 1 283 . 1 1 29 29 GLU H H 1 8.79 0.05 . 1 . . . . . . . . 6291 1 284 . 1 1 29 29 GLU CA C 13 59.3 0.5 . 1 . . . . . . . . 6291 1 285 . 1 1 29 29 GLU HA H 1 3.93 0.05 . 1 . . . . . . . . 6291 1 286 . 1 1 29 29 GLU CB C 13 29.4 0.5 . 1 . . . . . . . . 6291 1 287 . 1 1 29 29 GLU HB2 H 1 2.13 0.05 . 2 . . . . . . . . 6291 1 288 . 1 1 29 29 GLU HB3 H 1 2.07 0.05 . 2 . . . . . . . . 6291 1 289 . 1 1 29 29 GLU CG C 13 36.0 0.5 . 1 . . . . . . . . 6291 1 290 . 1 1 29 29 GLU HG2 H 1 2.41 0.05 . 1 . . . . . . . . 6291 1 291 . 1 1 29 29 GLU HG3 H 1 2.41 0.05 . 1 . . . . . . . . 6291 1 292 . 1 1 29 29 GLU C C 13 179.1 0.5 . 1 . . . . . . . . 6291 1 293 . 1 1 30 30 ALA N N 15 121.0 0.5 . 1 . . . . . . . . 6291 1 294 . 1 1 30 30 ALA H H 1 7.38 0.05 . 1 . . . . . . . . 6291 1 295 . 1 1 30 30 ALA CA C 13 54.9 0.5 . 1 . . . . . . . . 6291 1 296 . 1 1 30 30 ALA HA H 1 4.15 0.05 . 1 . . . . . . . . 6291 1 297 . 1 1 30 30 ALA HB1 H 1 1.53 0.05 . 1 . . . . . . . . 6291 1 298 . 1 1 30 30 ALA HB2 H 1 1.53 0.05 . 1 . . . . . . . . 6291 1 299 . 1 1 30 30 ALA HB3 H 1 1.53 0.05 . 1 . . . . . . . . 6291 1 300 . 1 1 30 30 ALA CB C 13 18.0 0.5 . 1 . . . . . . . . 6291 1 301 . 1 1 30 30 ALA C C 13 181.0 0.5 . 1 . . . . . . . . 6291 1 302 . 1 1 31 31 LEU N N 15 119.0 0.5 . 1 . . . . . . . . 6291 1 303 . 1 1 31 31 LEU H H 1 8.57 0.05 . 1 . . . . . . . . 6291 1 304 . 1 1 31 31 LEU CA C 13 57.7 0.5 . 1 . . . . . . . . 6291 1 305 . 1 1 31 31 LEU HA H 1 3.93 0.05 . 1 . . . . . . . . 6291 1 306 . 1 1 31 31 LEU CB C 13 43.5 0.5 . 1 . . . . . . . . 6291 1 307 . 1 1 31 31 LEU HB2 H 1 2.30 0.05 . 2 . . . . . . . . 6291 1 308 . 1 1 31 31 LEU HB3 H 1 1.42 0.05 . 2 . . . . . . . . 6291 1 309 . 1 1 31 31 LEU CG C 13 27.4 0.5 . 1 . . . . . . . . 6291 1 310 . 1 1 31 31 LEU HG H 1 1.92 0.05 . 1 . . . . . . . . 6291 1 311 . 1 1 31 31 LEU HD11 H 1 0.94 0.05 . 1 . . . . . . . . 6291 1 312 . 1 1 31 31 LEU HD12 H 1 0.94 0.05 . 1 . . . . . . . . 6291 1 313 . 1 1 31 31 LEU HD13 H 1 0.94 0.05 . 1 . . . . . . . . 6291 1 314 . 1 1 31 31 LEU HD21 H 1 0.94 0.05 . 1 . . . . . . . . 6291 1 315 . 1 1 31 31 LEU HD22 H 1 0.94 0.05 . 1 . . . . . . . . 6291 1 316 . 1 1 31 31 LEU HD23 H 1 0.94 0.05 . 1 . . . . . . . . 6291 1 317 . 1 1 31 31 LEU CD1 C 13 26.4 0.5 . 1 . . . . . . . . 6291 1 318 . 1 1 31 31 LEU CD2 C 13 23.8 0.5 . 1 . . . . . . . . 6291 1 319 . 1 1 31 31 LEU C C 13 178.5 0.5 . 1 . . . . . . . . 6291 1 320 . 1 1 32 32 ALA N N 15 120.8 0.5 . 1 . . . . . . . . 6291 1 321 . 1 1 32 32 ALA H H 1 8.87 0.05 . 1 . . . . . . . . 6291 1 322 . 1 1 32 32 ALA CA C 13 55.8 0.5 . 1 . . . . . . . . 6291 1 323 . 1 1 32 32 ALA HA H 1 3.72 0.05 . 1 . . . . . . . . 6291 1 324 . 1 1 32 32 ALA HB1 H 1 1.52 0.05 . 1 . . . . . . . . 6291 1 325 . 1 1 32 32 ALA HB2 H 1 1.52 0.05 . 1 . . . . . . . . 6291 1 326 . 1 1 32 32 ALA HB3 H 1 1.52 0.05 . 1 . . . . . . . . 6291 1 327 . 1 1 32 32 ALA CB C 13 17.9 0.5 . 1 . . . . . . . . 6291 1 328 . 1 1 32 32 ALA C C 13 179.5 0.5 . 1 . . . . . . . . 6291 1 329 . 1 1 33 33 VAL N N 15 115.0 0.5 . 1 . . . . . . . . 6291 1 330 . 1 1 33 33 VAL H H 1 7.48 0.05 . 1 . . . . . . . . 6291 1 331 . 1 1 33 33 VAL CA C 13 65.9 0.5 . 1 . . . . . . . . 6291 1 332 . 1 1 33 33 VAL HA H 1 3.64 0.05 . 1 . . . . . . . . 6291 1 333 . 1 1 33 33 VAL CB C 13 31.9 0.5 . 1 . . . . . . . . 6291 1 334 . 1 1 33 33 VAL HB H 1 2.19 0.05 . 1 . . . . . . . . 6291 1 335 . 1 1 33 33 VAL HG11 H 1 1.14 0.05 . 2 . . . . . . . . 6291 1 336 . 1 1 33 33 VAL HG12 H 1 1.14 0.05 . 2 . . . . . . . . 6291 1 337 . 1 1 33 33 VAL HG13 H 1 1.14 0.05 . 2 . . . . . . . . 6291 1 338 . 1 1 33 33 VAL HG21 H 1 0.97 0.05 . 2 . . . . . . . . 6291 1 339 . 1 1 33 33 VAL HG22 H 1 0.97 0.05 . 2 . . . . . . . . 6291 1 340 . 1 1 33 33 VAL HG23 H 1 0.97 0.05 . 2 . . . . . . . . 6291 1 341 . 1 1 33 33 VAL CG1 C 13 22.9 0.5 . 1 . . . . . . . . 6291 1 342 . 1 1 33 33 VAL CG2 C 13 21.3 0.5 . 1 . . . . . . . . 6291 1 343 . 1 1 33 33 VAL C C 13 178.1 0.5 . 1 . . . . . . . . 6291 1 344 . 1 1 34 34 ARG N N 15 117.9 0.5 . 1 . . . . . . . . 6291 1 345 . 1 1 34 34 ARG H H 1 7.21 0.05 . 1 . . . . . . . . 6291 1 346 . 1 1 34 34 ARG CA C 13 58.7 0.5 . 1 . . . . . . . . 6291 1 347 . 1 1 34 34 ARG HA H 1 4.15 0.05 . 1 . . . . . . . . 6291 1 348 . 1 1 34 34 ARG CB C 13 31.2 0.5 . 1 . . . . . . . . 6291 1 349 . 1 1 34 34 ARG HB2 H 1 1.91 0.05 . 2 . . . . . . . . 6291 1 350 . 1 1 34 34 ARG HB3 H 1 1.85 0.05 . 2 . . . . . . . . 6291 1 351 . 1 1 34 34 ARG CG C 13 28.1 0.5 . 1 . . . . . . . . 6291 1 352 . 1 1 34 34 ARG HG2 H 1 1.76 0.05 . 2 . . . . . . . . 6291 1 353 . 1 1 34 34 ARG HG3 H 1 1.60 0.05 . 2 . . . . . . . . 6291 1 354 . 1 1 34 34 ARG CD C 13 44.1 0.5 . 1 . . . . . . . . 6291 1 355 . 1 1 34 34 ARG HD2 H 1 3.22 0.05 . 2 . . . . . . . . 6291 1 356 . 1 1 34 34 ARG HD3 H 1 3.14 0.05 . 2 . . . . . . . . 6291 1 357 . 1 1 34 34 ARG C C 13 178.2 0.5 . 1 . . . . . . . . 6291 1 358 . 1 1 35 35 LEU N N 15 119.1 0.5 . 1 . . . . . . . . 6291 1 359 . 1 1 35 35 LEU H H 1 8.26 0.05 . 1 . . . . . . . . 6291 1 360 . 1 1 35 35 LEU CA C 13 56.4 0.5 . 1 . . . . . . . . 6291 1 361 . 1 1 35 35 LEU HA H 1 4.04 0.05 . 1 . . . . . . . . 6291 1 362 . 1 1 35 35 LEU CB C 13 42.4 0.5 . 1 . . . . . . . . 6291 1 363 . 1 1 35 35 LEU HB2 H 1 0.97 0.05 . 2 . . . . . . . . 6291 1 364 . 1 1 35 35 LEU HB3 H 1 0.47 0.05 . 2 . . . . . . . . 6291 1 365 . 1 1 35 35 LEU CG C 13 26.2 0.5 . 1 . . . . . . . . 6291 1 366 . 1 1 35 35 LEU HG H 1 1.38 0.05 . 1 . . . . . . . . 6291 1 367 . 1 1 35 35 LEU HD11 H 1 -0.08 0.05 . 2 . . . . . . . . 6291 1 368 . 1 1 35 35 LEU HD12 H 1 -0.08 0.05 . 2 . . . . . . . . 6291 1 369 . 1 1 35 35 LEU HD13 H 1 -0.08 0.05 . 2 . . . . . . . . 6291 1 370 . 1 1 35 35 LEU HD21 H 1 0.47 0.05 . 2 . . . . . . . . 6291 1 371 . 1 1 35 35 LEU HD22 H 1 0.47 0.05 . 2 . . . . . . . . 6291 1 372 . 1 1 35 35 LEU HD23 H 1 0.47 0.05 . 2 . . . . . . . . 6291 1 373 . 1 1 35 35 LEU CD1 C 13 26.0 0.5 . 1 . . . . . . . . 6291 1 374 . 1 1 35 35 LEU CD2 C 13 22.6 0.5 . 1 . . . . . . . . 6291 1 375 . 1 1 35 35 LEU C C 13 178.1 0.5 . 1 . . . . . . . . 6291 1 376 . 1 1 36 36 GLY N N 15 105.2 0.5 . 1 . . . . . . . . 6291 1 377 . 1 1 36 36 GLY H H 1 7.78 0.05 . 1 . . . . . . . . 6291 1 378 . 1 1 36 36 GLY CA C 13 44.8 0.5 . 1 . . . . . . . . 6291 1 379 . 1 1 36 36 GLY HA3 H 1 4.84 0.05 . 2 . . . . . . . . 6291 1 380 . 1 1 36 36 GLY HA2 H 1 3.94 0.05 . 2 . . . . . . . . 6291 1 381 . 1 1 37 37 LYS C C 13 179.4 0.5 . 1 . . . . . . . . 6291 1 382 . 1 1 38 38 SER N N 15 114.2 0.5 . 1 . . . . . . . . 6291 1 383 . 1 1 38 38 SER H H 1 7.47 0.05 . 1 . . . . . . . . 6291 1 384 . 1 1 38 38 SER CA C 13 61.8 0.5 . 1 . . . . . . . . 6291 1 385 . 1 1 38 38 SER HA H 1 4.07 0.05 . 1 . . . . . . . . 6291 1 386 . 1 1 38 38 SER CB C 13 61.8 0.5 . 1 . . . . . . . . 6291 1 387 . 1 1 38 38 SER HB2 H 1 3.71 0.05 . 1 . . . . . . . . 6291 1 388 . 1 1 38 38 SER HB3 H 1 3.71 0.05 . 1 . . . . . . . . 6291 1 389 . 1 1 38 38 SER C C 13 176.7 0.5 . 1 . . . . . . . . 6291 1 390 . 1 1 39 39 TYR N N 15 122.0 0.5 . 1 . . . . . . . . 6291 1 391 . 1 1 39 39 TYR H H 1 7.46 0.05 . 1 . . . . . . . . 6291 1 392 . 1 1 39 39 TYR CA C 13 61.4 0.5 . 1 . . . . . . . . 6291 1 393 . 1 1 39 39 TYR HA H 1 3.94 0.05 . 1 . . . . . . . . 6291 1 394 . 1 1 39 39 TYR CB C 13 37.2 0.5 . 1 . . . . . . . . 6291 1 395 . 1 1 39 39 TYR HB2 H 1 2.93 0.05 . 2 . . . . . . . . 6291 1 396 . 1 1 39 39 TYR HB3 H 1 2.10 0.05 . 2 . . . . . . . . 6291 1 397 . 1 1 39 39 TYR HD1 H 1 6.23 0.05 . 1 . . . . . . . . 6291 1 398 . 1 1 39 39 TYR HD2 H 1 6.23 0.05 . 1 . . . . . . . . 6291 1 399 . 1 1 39 39 TYR HE1 H 1 6.71 0.05 . 1 . . . . . . . . 6291 1 400 . 1 1 39 39 TYR HE2 H 1 6.71 0.05 . 1 . . . . . . . . 6291 1 401 . 1 1 39 39 TYR CD1 C 13 134.1 0.5 . 1 . . . . . . . . 6291 1 402 . 1 1 39 39 TYR CE1 C 13 117.6 0.5 . 1 . . . . . . . . 6291 1 403 . 1 1 39 39 TYR C C 13 177.4 0.5 . 1 . . . . . . . . 6291 1 404 . 1 1 40 40 ARG N N 15 121.6 0.5 . 1 . . . . . . . . 6291 1 405 . 1 1 40 40 ARG H H 1 7.85 0.05 . 1 . . . . . . . . 6291 1 406 . 1 1 40 40 ARG CA C 13 59.8 0.5 . 1 . . . . . . . . 6291 1 407 . 1 1 40 40 ARG HA H 1 4.02 0.05 . 1 . . . . . . . . 6291 1 408 . 1 1 40 40 ARG CB C 13 29.7 0.5 . 1 . . . . . . . . 6291 1 409 . 1 1 40 40 ARG HB2 H 1 2.19 0.05 . 2 . . . . . . . . 6291 1 410 . 1 1 40 40 ARG HB3 H 1 2.01 0.05 . 2 . . . . . . . . 6291 1 411 . 1 1 40 40 ARG CG C 13 27.1 0.5 . 1 . . . . . . . . 6291 1 412 . 1 1 40 40 ARG HG2 H 1 1.76 0.05 . 2 . . . . . . . . 6291 1 413 . 1 1 40 40 ARG HG3 H 1 1.71 0.05 . 2 . . . . . . . . 6291 1 414 . 1 1 40 40 ARG CD C 13 43.6 0.5 . 1 . . . . . . . . 6291 1 415 . 1 1 40 40 ARG HD2 H 1 3.25 0.05 . 1 . . . . . . . . 6291 1 416 . 1 1 40 40 ARG HD3 H 1 3.25 0.05 . 1 . . . . . . . . 6291 1 417 . 1 1 40 40 ARG C C 13 178.4 0.5 . 1 . . . . . . . . 6291 1 418 . 1 1 41 41 ILE N N 15 119.3 0.5 . 1 . . . . . . . . 6291 1 419 . 1 1 41 41 ILE H H 1 8.16 0.05 . 1 . . . . . . . . 6291 1 420 . 1 1 41 41 ILE CA C 13 65.0 0.5 . 1 . . . . . . . . 6291 1 421 . 1 1 41 41 ILE HA H 1 3.93 0.05 . 1 . . . . . . . . 6291 1 422 . 1 1 41 41 ILE CB C 13 38.1 0.5 . 1 . . . . . . . . 6291 1 423 . 1 1 41 41 ILE HB H 1 1.88 0.05 . 1 . . . . . . . . 6291 1 424 . 1 1 41 41 ILE HG21 H 1 0.94 0.05 . 1 . . . . . . . . 6291 1 425 . 1 1 41 41 ILE HG22 H 1 0.94 0.05 . 1 . . . . . . . . 6291 1 426 . 1 1 41 41 ILE HG23 H 1 0.94 0.05 . 1 . . . . . . . . 6291 1 427 . 1 1 41 41 ILE CG2 C 13 17.1 0.5 . 1 . . . . . . . . 6291 1 428 . 1 1 41 41 ILE CG1 C 13 29.2 0.5 . 1 . . . . . . . . 6291 1 429 . 1 1 41 41 ILE HG12 H 1 1.74 0.05 . 2 . . . . . . . . 6291 1 430 . 1 1 41 41 ILE HG13 H 1 1.23 0.05 . 2 . . . . . . . . 6291 1 431 . 1 1 41 41 ILE HD11 H 1 0.87 0.05 . 1 . . . . . . . . 6291 1 432 . 1 1 41 41 ILE HD12 H 1 0.87 0.05 . 1 . . . . . . . . 6291 1 433 . 1 1 41 41 ILE HD13 H 1 0.87 0.05 . 1 . . . . . . . . 6291 1 434 . 1 1 41 41 ILE CD1 C 13 13.6 0.5 . 1 . . . . . . . . 6291 1 435 . 1 1 41 41 ILE C C 13 178.7 0.5 . 1 . . . . . . . . 6291 1 436 . 1 1 42 42 GLN N N 15 118.8 0.5 . 1 . . . . . . . . 6291 1 437 . 1 1 42 42 GLN H H 1 7.59 0.05 . 1 . . . . . . . . 6291 1 438 . 1 1 42 42 GLN CA C 13 59.6 0.5 . 1 . . . . . . . . 6291 1 439 . 1 1 42 42 GLN HA H 1 4.16 0.05 . 1 . . . . . . . . 6291 1 440 . 1 1 42 42 GLN CB C 13 29.7 0.5 . 1 . . . . . . . . 6291 1 441 . 1 1 42 42 GLN HB2 H 1 2.43 0.05 . 2 . . . . . . . . 6291 1 442 . 1 1 42 42 GLN HB3 H 1 2.33 0.05 . 2 . . . . . . . . 6291 1 443 . 1 1 42 42 GLN CG C 13 34.6 0.5 . 1 . . . . . . . . 6291 1 444 . 1 1 42 42 GLN HG2 H 1 2.64 0.05 . 2 . . . . . . . . 6291 1 445 . 1 1 42 42 GLN HG3 H 1 2.40 0.05 . 2 . . . . . . . . 6291 1 446 . 1 1 42 42 GLN NE2 N 15 110.2 0.5 . 1 . . . . . . . . 6291 1 447 . 1 1 42 42 GLN HE21 H 1 7.01 0.05 . 2 . . . . . . . . 6291 1 448 . 1 1 42 42 GLN HE22 H 1 6.57 0.05 . 2 . . . . . . . . 6291 1 449 . 1 1 42 42 GLN C C 13 179.7 0.5 . 1 . . . . . . . . 6291 1 450 . 1 1 43 43 LEU N N 15 121.9 0.5 . 1 . . . . . . . . 6291 1 451 . 1 1 43 43 LEU H H 1 8.65 0.05 . 1 . . . . . . . . 6291 1 452 . 1 1 43 43 LEU CA C 13 58.0 0.5 . 1 . . . . . . . . 6291 1 453 . 1 1 43 43 LEU HA H 1 4.51 0.05 . 1 . . . . . . . . 6291 1 454 . 1 1 43 43 LEU CB C 13 41.8 0.5 . 1 . . . . . . . . 6291 1 455 . 1 1 43 43 LEU HB2 H 1 2.46 0.05 . 2 . . . . . . . . 6291 1 456 . 1 1 43 43 LEU HB3 H 1 1.66 0.05 . 2 . . . . . . . . 6291 1 457 . 1 1 43 43 LEU CG C 13 27.8 0.5 . 1 . . . . . . . . 6291 1 458 . 1 1 43 43 LEU HG H 1 1.79 0.05 . 1 . . . . . . . . 6291 1 459 . 1 1 43 43 LEU HD11 H 1 1.02 0.05 . 2 . . . . . . . . 6291 1 460 . 1 1 43 43 LEU HD12 H 1 1.02 0.05 . 2 . . . . . . . . 6291 1 461 . 1 1 43 43 LEU HD13 H 1 1.02 0.05 . 2 . . . . . . . . 6291 1 462 . 1 1 43 43 LEU HD21 H 1 1.18 0.05 . 2 . . . . . . . . 6291 1 463 . 1 1 43 43 LEU HD22 H 1 1.18 0.05 . 2 . . . . . . . . 6291 1 464 . 1 1 43 43 LEU HD23 H 1 1.18 0.05 . 2 . . . . . . . . 6291 1 465 . 1 1 43 43 LEU CD1 C 13 27.0 0.5 . 1 . . . . . . . . 6291 1 466 . 1 1 43 43 LEU CD2 C 13 25.1 0.5 . 1 . . . . . . . . 6291 1 467 . 1 1 43 43 LEU C C 13 178.0 0.5 . 1 . . . . . . . . 6291 1 468 . 1 1 44 44 ASP N N 15 122.1 0.5 . 1 . . . . . . . . 6291 1 469 . 1 1 44 44 ASP H H 1 8.78 0.05 . 1 . . . . . . . . 6291 1 470 . 1 1 44 44 ASP CA C 13 58.1 0.5 . 1 . . . . . . . . 6291 1 471 . 1 1 44 44 ASP HA H 1 4.51 0.05 . 1 . . . . . . . . 6291 1 472 . 1 1 44 44 ASP CB C 13 40.0 0.5 . 1 . . . . . . . . 6291 1 473 . 1 1 44 44 ASP HB2 H 1 3.00 0.05 . 2 . . . . . . . . 6291 1 474 . 1 1 44 44 ASP HB3 H 1 2.76 0.05 . 2 . . . . . . . . 6291 1 475 . 1 1 44 44 ASP C C 13 179.8 0.5 . 1 . . . . . . . . 6291 1 476 . 1 1 45 45 GLN N N 15 118.8 0.5 . 1 . . . . . . . . 6291 1 477 . 1 1 45 45 GLN H H 1 8.28 0.05 . 1 . . . . . . . . 6291 1 478 . 1 1 45 45 GLN CA C 13 58.8 0.5 . 1 . . . . . . . . 6291 1 479 . 1 1 45 45 GLN HA H 1 4.14 0.05 . 1 . . . . . . . . 6291 1 480 . 1 1 45 45 GLN CB C 13 28.3 0.5 . 1 . . . . . . . . 6291 1 481 . 1 1 45 45 GLN HB2 H 1 2.31 0.05 . 2 . . . . . . . . 6291 1 482 . 1 1 45 45 GLN HB3 H 1 2.08 0.05 . 2 . . . . . . . . 6291 1 483 . 1 1 45 45 GLN CG C 13 34.4 0.5 . 1 . . . . . . . . 6291 1 484 . 1 1 45 45 GLN HG2 H 1 2.66 0.05 . 2 . . . . . . . . 6291 1 485 . 1 1 45 45 GLN HG3 H 1 2.44 0.05 . 2 . . . . . . . . 6291 1 486 . 1 1 45 45 GLN C C 13 179.0 0.5 . 1 . . . . . . . . 6291 1 487 . 1 1 46 46 ALA N N 15 125.3 0.5 . 1 . . . . . . . . 6291 1 488 . 1 1 46 46 ALA H H 1 8.18 0.05 . 1 . . . . . . . . 6291 1 489 . 1 1 46 46 ALA CA C 13 55.1 0.5 . 1 . . . . . . . . 6291 1 490 . 1 1 46 46 ALA HA H 1 4.15 0.05 . 1 . . . . . . . . 6291 1 491 . 1 1 46 46 ALA HB1 H 1 1.70 0.05 . 1 . . . . . . . . 6291 1 492 . 1 1 46 46 ALA HB2 H 1 1.70 0.05 . 1 . . . . . . . . 6291 1 493 . 1 1 46 46 ALA HB3 H 1 1.70 0.05 . 1 . . . . . . . . 6291 1 494 . 1 1 46 46 ALA CB C 13 19.1 0.5 . 1 . . . . . . . . 6291 1 495 . 1 1 46 46 ALA C C 13 178.9 0.5 . 1 . . . . . . . . 6291 1 496 . 1 1 47 47 LYS N N 15 117.5 0.5 . 1 . . . . . . . . 6291 1 497 . 1 1 47 47 LYS H H 1 8.85 0.05 . 1 . . . . . . . . 6291 1 498 . 1 1 47 47 LYS CA C 13 60.8 0.5 . 1 . . . . . . . . 6291 1 499 . 1 1 47 47 LYS HA H 1 4.07 0.05 . 1 . . . . . . . . 6291 1 500 . 1 1 47 47 LYS CB C 13 32.5 0.5 . 1 . . . . . . . . 6291 1 501 . 1 1 47 47 LYS HB2 H 1 2.18 0.05 . 2 . . . . . . . . 6291 1 502 . 1 1 47 47 LYS HB3 H 1 2.14 0.05 . 2 . . . . . . . . 6291 1 503 . 1 1 47 47 LYS CG C 13 27.4 0.5 . 1 . . . . . . . . 6291 1 504 . 1 1 47 47 LYS HG2 H 1 2.19 0.05 . 2 . . . . . . . . 6291 1 505 . 1 1 47 47 LYS HG3 H 1 1.52 0.05 . 2 . . . . . . . . 6291 1 506 . 1 1 47 47 LYS CD C 13 30.6 0.5 . 1 . . . . . . . . 6291 1 507 . 1 1 47 47 LYS HD2 H 1 1.91 0.05 . 1 . . . . . . . . 6291 1 508 . 1 1 47 47 LYS HD3 H 1 1.91 0.05 . 1 . . . . . . . . 6291 1 509 . 1 1 47 47 LYS CE C 13 42.4 0.5 . 1 . . . . . . . . 6291 1 510 . 1 1 47 47 LYS HE2 H 1 3.03 0.05 . 2 . . . . . . . . 6291 1 511 . 1 1 47 47 LYS HE3 H 1 2.85 0.05 . 2 . . . . . . . . 6291 1 512 . 1 1 47 47 LYS C C 13 179.1 0.5 . 1 . . . . . . . . 6291 1 513 . 1 1 48 48 GLU N N 15 118.2 0.5 . 1 . . . . . . . . 6291 1 514 . 1 1 48 48 GLU H H 1 7.75 0.05 . 1 . . . . . . . . 6291 1 515 . 1 1 48 48 GLU CA C 13 59.0 0.5 . 1 . . . . . . . . 6291 1 516 . 1 1 48 48 GLU HA H 1 4.15 0.05 . 1 . . . . . . . . 6291 1 517 . 1 1 48 48 GLU CB C 13 29.5 0.5 . 1 . . . . . . . . 6291 1 518 . 1 1 48 48 GLU HB2 H 1 2.15 0.05 . 1 . . . . . . . . 6291 1 519 . 1 1 48 48 GLU HB3 H 1 2.15 0.05 . 1 . . . . . . . . 6291 1 520 . 1 1 48 48 GLU CG C 13 36.3 0.5 . 1 . . . . . . . . 6291 1 521 . 1 1 48 48 GLU HG2 H 1 2.38 0.05 . 2 . . . . . . . . 6291 1 522 . 1 1 48 48 GLU HG3 H 1 2.29 0.05 . 2 . . . . . . . . 6291 1 523 . 1 1 48 48 GLU C C 13 179.5 0.5 . 1 . . . . . . . . 6291 1 524 . 1 1 49 49 LYS N N 15 122.6 0.5 . 1 . . . . . . . . 6291 1 525 . 1 1 49 49 LYS H H 1 7.92 0.05 . 1 . . . . . . . . 6291 1 526 . 1 1 49 49 LYS CA C 13 59.4 0.5 . 1 . . . . . . . . 6291 1 527 . 1 1 49 49 LYS HA H 1 3.80 0.05 . 1 . . . . . . . . 6291 1 528 . 1 1 49 49 LYS CB C 13 31.6 0.5 . 1 . . . . . . . . 6291 1 529 . 1 1 49 49 LYS HB2 H 1 1.66 0.05 . 2 . . . . . . . . 6291 1 530 . 1 1 49 49 LYS HB3 H 1 1.59 0.05 . 2 . . . . . . . . 6291 1 531 . 1 1 49 49 LYS CG C 13 24.1 0.5 . 1 . . . . . . . . 6291 1 532 . 1 1 49 49 LYS HG2 H 1 0.99 0.05 . 2 . . . . . . . . 6291 1 533 . 1 1 49 49 LYS HG3 H 1 0.32 0.05 . 2 . . . . . . . . 6291 1 534 . 1 1 49 49 LYS CD C 13 29.3 0.5 . 1 . . . . . . . . 6291 1 535 . 1 1 49 49 LYS HD2 H 1 1.11 0.05 . 2 . . . . . . . . 6291 1 536 . 1 1 49 49 LYS HD3 H 1 0.92 0.05 . 2 . . . . . . . . 6291 1 537 . 1 1 49 49 LYS CE C 13 41.7 0.5 . 1 . . . . . . . . 6291 1 538 . 1 1 49 49 LYS HE2 H 1 2.19 0.05 . 2 . . . . . . . . 6291 1 539 . 1 1 49 49 LYS HE3 H 1 2.08 0.05 . 2 . . . . . . . . 6291 1 540 . 1 1 49 49 LYS C C 13 178.7 0.5 . 1 . . . . . . . . 6291 1 541 . 1 1 50 50 TRP N N 15 115.8 0.5 . 1 . . . . . . . . 6291 1 542 . 1 1 50 50 TRP H H 1 7.65 0.05 . 1 . . . . . . . . 6291 1 543 . 1 1 50 50 TRP CA C 13 56.7 0.5 . 1 . . . . . . . . 6291 1 544 . 1 1 50 50 TRP HA H 1 4.83 0.05 . 1 . . . . . . . . 6291 1 545 . 1 1 50 50 TRP CB C 13 30.9 0.5 . 1 . . . . . . . . 6291 1 546 . 1 1 50 50 TRP HB2 H 1 3.41 0.05 . 2 . . . . . . . . 6291 1 547 . 1 1 50 50 TRP HB3 H 1 2.69 0.05 . 2 . . . . . . . . 6291 1 548 . 1 1 50 50 TRP CD1 C 13 129.0 0.5 . 1 . . . . . . . . 6291 1 549 . 1 1 50 50 TRP CE3 C 13 120.1 0.5 . 1 . . . . . . . . 6291 1 550 . 1 1 50 50 TRP NE1 N 15 128.2 0.5 . 1 . . . . . . . . 6291 1 551 . 1 1 50 50 TRP HD1 H 1 5.41 0.05 . 1 . . . . . . . . 6291 1 552 . 1 1 50 50 TRP HE3 H 1 7.62 0.05 . 1 . . . . . . . . 6291 1 553 . 1 1 50 50 TRP CZ3 C 13 121.8 0.5 . 1 . . . . . . . . 6291 1 554 . 1 1 50 50 TRP CZ2 C 13 114.1 0.5 . 1 . . . . . . . . 6291 1 555 . 1 1 50 50 TRP HE1 H 1 9.99 0.05 . 1 . . . . . . . . 6291 1 556 . 1 1 50 50 TRP HZ3 H 1 7.16 0.05 . 1 . . . . . . . . 6291 1 557 . 1 1 50 50 TRP CH2 C 13 123.5 0.5 . 1 . . . . . . . . 6291 1 558 . 1 1 50 50 TRP HZ2 H 1 7.33 0.05 . 1 . . . . . . . . 6291 1 559 . 1 1 50 50 TRP HH2 H 1 7.01 0.05 . 1 . . . . . . . . 6291 1 560 . 1 1 50 50 TRP C C 13 174.7 0.5 . 1 . . . . . . . . 6291 1 561 . 1 1 51 51 LYS N N 15 117.4 0.5 . 1 . . . . . . . . 6291 1 562 . 1 1 51 51 LYS H H 1 7.90 0.05 . 1 . . . . . . . . 6291 1 563 . 1 1 51 51 LYS CA C 13 56.9 0.5 . 1 . . . . . . . . 6291 1 564 . 1 1 51 51 LYS HA H 1 4.06 0.05 . 1 . . . . . . . . 6291 1 565 . 1 1 51 51 LYS CB C 13 29.5 0.5 . 1 . . . . . . . . 6291 1 566 . 1 1 51 51 LYS HB2 H 1 2.17 0.05 . 2 . . . . . . . . 6291 1 567 . 1 1 51 51 LYS HB3 H 1 1.93 0.05 . 2 . . . . . . . . 6291 1 568 . 1 1 51 51 LYS CG C 13 25.1 0.5 . 1 . . . . . . . . 6291 1 569 . 1 1 51 51 LYS HG2 H 1 1.46 0.05 . 1 . . . . . . . . 6291 1 570 . 1 1 51 51 LYS HG3 H 1 1.46 0.05 . 1 . . . . . . . . 6291 1 571 . 1 1 51 51 LYS CD C 13 29.3 0.5 . 1 . . . . . . . . 6291 1 572 . 1 1 51 51 LYS HD2 H 1 1.81 0.05 . 2 . . . . . . . . 6291 1 573 . 1 1 51 51 LYS HD3 H 1 1.73 0.05 . 2 . . . . . . . . 6291 1 574 . 1 1 51 51 LYS CE C 13 42.5 0.5 . 1 . . . . . . . . 6291 1 575 . 1 1 51 51 LYS HE2 H 1 3.06 0.05 . 1 . . . . . . . . 6291 1 576 . 1 1 51 51 LYS HE3 H 1 3.06 0.05 . 1 . . . . . . . . 6291 1 577 . 1 1 51 51 LYS C C 13 176.7 0.5 . 1 . . . . . . . . 6291 1 578 . 1 1 52 52 VAL N N 15 116.6 0.5 . 1 . . . . . . . . 6291 1 579 . 1 1 52 52 VAL H H 1 8.19 0.05 . 1 . . . . . . . . 6291 1 580 . 1 1 52 52 VAL CA C 13 62.1 0.5 . 1 . . . . . . . . 6291 1 581 . 1 1 52 52 VAL HA H 1 4.30 0.05 . 1 . . . . . . . . 6291 1 582 . 1 1 52 52 VAL CB C 13 32.8 0.5 . 1 . . . . . . . . 6291 1 583 . 1 1 52 52 VAL HB H 1 2.25 0.05 . 1 . . . . . . . . 6291 1 584 . 1 1 52 52 VAL HG11 H 1 1.07 0.05 . 2 . . . . . . . . 6291 1 585 . 1 1 52 52 VAL HG12 H 1 1.07 0.05 . 2 . . . . . . . . 6291 1 586 . 1 1 52 52 VAL HG13 H 1 1.07 0.05 . 2 . . . . . . . . 6291 1 587 . 1 1 52 52 VAL HG21 H 1 1.15 0.05 . 2 . . . . . . . . 6291 1 588 . 1 1 52 52 VAL HG22 H 1 1.15 0.05 . 2 . . . . . . . . 6291 1 589 . 1 1 52 52 VAL HG23 H 1 1.15 0.05 . 2 . . . . . . . . 6291 1 590 . 1 1 52 52 VAL CG1 C 13 21.8 0.5 . 1 . . . . . . . . 6291 1 591 . 1 1 52 52 VAL CG2 C 13 21.6 0.5 . 1 . . . . . . . . 6291 1 stop_ save_