data_2224 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 2224 _Entry.Title ; Assignment of the 1H NMR Spectrum and Secondary Structure Elucidation of the Single-Stranded DNA Binding Protein Encoded by the Filamentous Bacteriophage IKe ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _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 John 'van Duynhoven' . P.M. . 2224 2 P. Folkers . J.M. . 2224 3 W. Prinse . J.M. . 2224 4 B. Harmsen . J.M. . 2224 5 R. Konings . N.H. . 2224 6 C. Hilbers . W. . 2224 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 2224 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 553 2224 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 4 . . 2010-06-16 . revision BMRB 'Complete natural source information' 2224 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 2224 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 2224 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 2224 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 2224 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; van Duynhoven, John P.M., Folkers, P.J.M., Prinse, W.J.M., Harmsen, B.J.M., Konings, R.N.H., Hilbers, C. W., "Assignment of the 1H NMR Spectrum and Secondary Structure Elucidation of the Single-Stranded DNA Binding Protein Encoded by the Filamentous Bacteriophage IKe," Biochemistry 31 (4), 1254-1262 (1992). ; _Citation.Title ; Assignment of the 1H NMR Spectrum and Secondary Structure Elucidation of the Single-Stranded DNA Binding Protein Encoded by the Filamentous Bacteriophage IKe ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 4 _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 1254 _Citation.Page_last 1262 _Citation.Year 1992 _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 John 'van Duynhoven' . P.M. . 2224 1 2 P. Folkers . J.M. . 2224 1 3 W. Prinse . J.M. . 2224 1 4 B. Harmsen . J.M. . 2224 1 5 R. Konings . N.H. . 2224 1 6 C. Hilbers . W. . 2224 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_gene_V_protein _Assembly.Sf_category assembly _Assembly.Sf_framecode system_gene_V_protein _Assembly.Entry_ID 2224 _Assembly.ID 1 _Assembly.Name 'gene V protein' _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 . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 'gene V protein' 1 $gene_V_protein . . . . . . . . . 2224 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'gene V protein' system 2224 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_gene_V_protein _Entity.Sf_category entity _Entity.Sf_framecode gene_V_protein _Entity.Entry_ID 2224 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'gene V protein' _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 ; MLTVEIHDSQVSVKERSGVS QKSGKPYTIREQEAYIDLGG VYPALFNFNLEDGQQPYPAG KYRLHPASFKINNFGQVAVG RVLLQSVK ; _Entity.Polymer_seq_one_letter_code ; MLTVEIHDSQVSVKERSGVS QKSGKPYTIREQEAYIDLGG VYPALFNFNLEDGQQPYPAG KYRLHPASFKINNFGQVAVG RVLLQSVK ; _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 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 EMBL CAA25988 . "unnamed protein product [Enterobacteria phage Ike]" . . . . . 100.00 88 98.86 100.00 4.42e-56 . . . . 2224 1 2 no EMBL CAA26069 . "unnamed protein product [Enterobacteria phage Ike]" . . . . . 100.00 88 98.86 100.00 4.42e-56 . . . . 2224 1 3 no GB AAW65359 . "gene V protein [synthetic construct]" . . . . . 100.00 88 98.86 100.00 4.42e-56 . . . . 2224 1 4 no REF NP_040572 . "G V protein [Enterobacteria phage Ike]" . . . . . 100.00 88 98.86 100.00 4.42e-56 . . . . 2224 1 5 no SP P03670 . "RecName: Full=DNA-Binding protein G5P; Short=G5P; AltName: Full=GPV; AltName: Full=Single-stranded DNA-binding protein [Enterob" . . . . . 100.00 88 98.86 100.00 4.42e-56 . . . . 2224 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'gene V protein' common 2224 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 . MET . 2224 1 2 . LEU . 2224 1 3 . THR . 2224 1 4 . VAL . 2224 1 5 . GLU . 2224 1 6 . ILE . 2224 1 7 . HIS . 2224 1 8 . ASP . 2224 1 9 . SER . 2224 1 10 . GLN . 2224 1 11 . VAL . 2224 1 12 . SER . 2224 1 13 . VAL . 2224 1 14 . LYS . 2224 1 15 . GLU . 2224 1 16 . ARG . 2224 1 17 . SER . 2224 1 18 . GLY . 2224 1 19 . VAL . 2224 1 20 . SER . 2224 1 21 . GLN . 2224 1 22 . LYS . 2224 1 23 . SER . 2224 1 24 . GLY . 2224 1 25 . LYS . 2224 1 26 . PRO . 2224 1 27 . TYR . 2224 1 28 . THR . 2224 1 29 . ILE . 2224 1 30 . ARG . 2224 1 31 . GLU . 2224 1 32 . GLN . 2224 1 33 . GLU . 2224 1 34 . ALA . 2224 1 35 . TYR . 2224 1 36 . ILE . 2224 1 37 . ASP . 2224 1 38 . LEU . 2224 1 39 . GLY . 2224 1 40 . GLY . 2224 1 41 . VAL . 2224 1 42 . TYR . 2224 1 43 . PRO . 2224 1 44 . ALA . 2224 1 45 . LEU . 2224 1 46 . PHE . 2224 1 47 . ASN . 2224 1 48 . PHE . 2224 1 49 . ASN . 2224 1 50 . LEU . 2224 1 51 . GLU . 2224 1 52 . ASP . 2224 1 53 . GLY . 2224 1 54 . GLN . 2224 1 55 . GLN . 2224 1 56 . PRO . 2224 1 57 . TYR . 2224 1 58 . PRO . 2224 1 59 . ALA . 2224 1 60 . GLY . 2224 1 61 . LYS . 2224 1 62 . TYR . 2224 1 63 . ARG . 2224 1 64 . LEU . 2224 1 65 . HIS . 2224 1 66 . PRO . 2224 1 67 . ALA . 2224 1 68 . SER . 2224 1 69 . PHE . 2224 1 70 . LYS . 2224 1 71 . ILE . 2224 1 72 . ASN . 2224 1 73 . ASN . 2224 1 74 . PHE . 2224 1 75 . GLY . 2224 1 76 . GLN . 2224 1 77 . VAL . 2224 1 78 . ALA . 2224 1 79 . VAL . 2224 1 80 . GLY . 2224 1 81 . ARG . 2224 1 82 . VAL . 2224 1 83 . LEU . 2224 1 84 . LEU . 2224 1 85 . GLN . 2224 1 86 . SER . 2224 1 87 . VAL . 2224 1 88 . LYS . 2224 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 . MET 1 1 2224 1 . LEU 2 2 2224 1 . THR 3 3 2224 1 . VAL 4 4 2224 1 . GLU 5 5 2224 1 . ILE 6 6 2224 1 . HIS 7 7 2224 1 . ASP 8 8 2224 1 . SER 9 9 2224 1 . GLN 10 10 2224 1 . VAL 11 11 2224 1 . SER 12 12 2224 1 . VAL 13 13 2224 1 . LYS 14 14 2224 1 . GLU 15 15 2224 1 . ARG 16 16 2224 1 . SER 17 17 2224 1 . GLY 18 18 2224 1 . VAL 19 19 2224 1 . SER 20 20 2224 1 . GLN 21 21 2224 1 . LYS 22 22 2224 1 . SER 23 23 2224 1 . GLY 24 24 2224 1 . LYS 25 25 2224 1 . PRO 26 26 2224 1 . TYR 27 27 2224 1 . THR 28 28 2224 1 . ILE 29 29 2224 1 . ARG 30 30 2224 1 . GLU 31 31 2224 1 . GLN 32 32 2224 1 . GLU 33 33 2224 1 . ALA 34 34 2224 1 . TYR 35 35 2224 1 . ILE 36 36 2224 1 . ASP 37 37 2224 1 . LEU 38 38 2224 1 . GLY 39 39 2224 1 . GLY 40 40 2224 1 . VAL 41 41 2224 1 . TYR 42 42 2224 1 . PRO 43 43 2224 1 . ALA 44 44 2224 1 . LEU 45 45 2224 1 . PHE 46 46 2224 1 . ASN 47 47 2224 1 . PHE 48 48 2224 1 . ASN 49 49 2224 1 . LEU 50 50 2224 1 . GLU 51 51 2224 1 . ASP 52 52 2224 1 . GLY 53 53 2224 1 . GLN 54 54 2224 1 . GLN 55 55 2224 1 . PRO 56 56 2224 1 . TYR 57 57 2224 1 . PRO 58 58 2224 1 . ALA 59 59 2224 1 . GLY 60 60 2224 1 . LYS 61 61 2224 1 . TYR 62 62 2224 1 . ARG 63 63 2224 1 . LEU 64 64 2224 1 . HIS 65 65 2224 1 . PRO 66 66 2224 1 . ALA 67 67 2224 1 . SER 68 68 2224 1 . PHE 69 69 2224 1 . LYS 70 70 2224 1 . ILE 71 71 2224 1 . ASN 72 72 2224 1 . ASN 73 73 2224 1 . PHE 74 74 2224 1 . GLY 75 75 2224 1 . GLN 76 76 2224 1 . VAL 77 77 2224 1 . ALA 78 78 2224 1 . VAL 79 79 2224 1 . GLY 80 80 2224 1 . ARG 81 81 2224 1 . VAL 82 82 2224 1 . LEU 83 83 2224 1 . LEU 84 84 2224 1 . GLN 85 85 2224 1 . SER 86 86 2224 1 . VAL 87 87 2224 1 . LYS 88 88 2224 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 2224 _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 $gene_V_protein . 10867 virus . 'Enterobacteria phage' . . . Virus . Enterobacteria phage Ike . . . . . . . . . . . . . . . . . . . . 2224 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 2224 _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 $gene_V_protein . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2224 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 2224 _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 2224 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.6 . na 2224 1 temperature 298 . K 2224 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 2224 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 2224 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 2224 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 2224 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 2224 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 2224 _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 . TSP . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 2224 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 2224 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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_one . 2224 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 MET HA H 1 3.79 . . 1 . . . . . . . . 2224 1 2 . 1 1 1 1 MET HB2 H 1 2.02 . . 1 . . . . . . . . 2224 1 3 . 1 1 1 1 MET HB3 H 1 2.02 . . 1 . . . . . . . . 2224 1 4 . 1 1 1 1 MET HG2 H 1 2.48 . . 2 . . . . . . . . 2224 1 5 . 1 1 1 1 MET HG3 H 1 2.26 . . 2 . . . . . . . . 2224 1 6 . 1 1 2 2 LEU H H 1 9.12 . . 1 . . . . . . . . 2224 1 7 . 1 1 2 2 LEU HA H 1 3.86 . . 1 . . . . . . . . 2224 1 8 . 1 1 2 2 LEU HB2 H 1 1.88 . . 1 . . . . . . . . 2224 1 9 . 1 1 2 2 LEU HB3 H 1 1.88 . . 1 . . . . . . . . 2224 1 10 . 1 1 2 2 LEU HG H 1 1.23 . . 1 . . . . . . . . 2224 1 11 . 1 1 2 2 LEU HD11 H 1 .31 . . 2 . . . . . . . . 2224 1 12 . 1 1 2 2 LEU HD12 H 1 .31 . . 2 . . . . . . . . 2224 1 13 . 1 1 2 2 LEU HD13 H 1 .31 . . 2 . . . . . . . . 2224 1 14 . 1 1 2 2 LEU HD21 H 1 .45 . . 2 . . . . . . . . 2224 1 15 . 1 1 2 2 LEU HD22 H 1 .45 . . 2 . . . . . . . . 2224 1 16 . 1 1 2 2 LEU HD23 H 1 .45 . . 2 . . . . . . . . 2224 1 17 . 1 1 3 3 THR H H 1 7.72 . . 1 . . . . . . . . 2224 1 18 . 1 1 3 3 THR HA H 1 4.48 . . 1 . . . . . . . . 2224 1 19 . 1 1 3 3 THR HB H 1 4.31 . . 1 . . . . . . . . 2224 1 20 . 1 1 3 3 THR HG21 H 1 1.27 . . 1 . . . . . . . . 2224 1 21 . 1 1 3 3 THR HG22 H 1 1.27 . . 1 . . . . . . . . 2224 1 22 . 1 1 3 3 THR HG23 H 1 1.27 . . 1 . . . . . . . . 2224 1 23 . 1 1 4 4 VAL H H 1 8.8 . . 1 . . . . . . . . 2224 1 24 . 1 1 4 4 VAL HA H 1 5.32 . . 1 . . . . . . . . 2224 1 25 . 1 1 4 4 VAL HB H 1 1.54 . . 1 . . . . . . . . 2224 1 26 . 1 1 4 4 VAL HG11 H 1 .91 . . 2 . . . . . . . . 2224 1 27 . 1 1 4 4 VAL HG12 H 1 .91 . . 2 . . . . . . . . 2224 1 28 . 1 1 4 4 VAL HG13 H 1 .91 . . 2 . . . . . . . . 2224 1 29 . 1 1 4 4 VAL HG21 H 1 .78 . . 2 . . . . . . . . 2224 1 30 . 1 1 4 4 VAL HG22 H 1 .78 . . 2 . . . . . . . . 2224 1 31 . 1 1 4 4 VAL HG23 H 1 .78 . . 2 . . . . . . . . 2224 1 32 . 1 1 5 5 GLU H H 1 9.46 . . 1 . . . . . . . . 2224 1 33 . 1 1 5 5 GLU HA H 1 5.39 . . 1 . . . . . . . . 2224 1 34 . 1 1 5 5 GLU HB2 H 1 2.01 . . 1 . . . . . . . . 2224 1 35 . 1 1 5 5 GLU HB3 H 1 2.01 . . 1 . . . . . . . . 2224 1 36 . 1 1 5 5 GLU HG2 H 1 2.3 . . 1 . . . . . . . . 2224 1 37 . 1 1 5 5 GLU HG3 H 1 2.3 . . 1 . . . . . . . . 2224 1 38 . 1 1 6 6 ILE H H 1 8.9 . . 1 . . . . . . . . 2224 1 39 . 1 1 6 6 ILE HA H 1 4.7 . . 1 . . . . . . . . 2224 1 40 . 1 1 6 6 ILE HB H 1 2.02 . . 1 . . . . . . . . 2224 1 41 . 1 1 6 6 ILE HG12 H 1 .95 . . 1 . . . . . . . . 2224 1 42 . 1 1 6 6 ILE HG13 H 1 .95 . . 1 . . . . . . . . 2224 1 43 . 1 1 7 7 HIS H H 1 9.95 . . 1 . . . . . . . . 2224 1 44 . 1 1 7 7 HIS HA H 1 5.05 . . 1 . . . . . . . . 2224 1 45 . 1 1 7 7 HIS HB2 H 1 3.13 . . 2 . . . . . . . . 2224 1 46 . 1 1 7 7 HIS HB3 H 1 3.65 . . 2 . . . . . . . . 2224 1 47 . 1 1 7 7 HIS HD2 H 1 7.24 . . 1 . . . . . . . . 2224 1 48 . 1 1 7 7 HIS HE1 H 1 8.37 . . 1 . . . . . . . . 2224 1 49 . 1 1 8 8 ASP H H 1 9.07 . . 1 . . . . . . . . 2224 1 50 . 1 1 8 8 ASP HA H 1 4.37 . . 1 . . . . . . . . 2224 1 51 . 1 1 8 8 ASP HB2 H 1 2.76 . . 1 . . . . . . . . 2224 1 52 . 1 1 8 8 ASP HB3 H 1 2.76 . . 1 . . . . . . . . 2224 1 53 . 1 1 9 9 SER H H 1 8.52 . . 1 . . . . . . . . 2224 1 54 . 1 1 9 9 SER HA H 1 4.35 . . 1 . . . . . . . . 2224 1 55 . 1 1 9 9 SER HB2 H 1 3.93 . . 2 . . . . . . . . 2224 1 56 . 1 1 9 9 SER HB3 H 1 4.13 . . 2 . . . . . . . . 2224 1 57 . 1 1 10 10 GLN H H 1 8.03 . . 1 . . . . . . . . 2224 1 58 . 1 1 10 10 GLN HA H 1 4.51 . . 1 . . . . . . . . 2224 1 59 . 1 1 10 10 GLN HB2 H 1 2.48 . . 1 . . . . . . . . 2224 1 60 . 1 1 10 10 GLN HB3 H 1 2.48 . . 1 . . . . . . . . 2224 1 61 . 1 1 10 10 GLN HG2 H 1 2.96 . . 1 . . . . . . . . 2224 1 62 . 1 1 10 10 GLN HG3 H 1 2.96 . . 1 . . . . . . . . 2224 1 63 . 1 1 11 11 VAL H H 1 7.54 . . 1 . . . . . . . . 2224 1 64 . 1 1 11 11 VAL HA H 1 3.93 . . 1 . . . . . . . . 2224 1 65 . 1 1 11 11 VAL HB H 1 2.34 . . 1 . . . . . . . . 2224 1 66 . 1 1 11 11 VAL HG11 H 1 .99 . . 2 . . . . . . . . 2224 1 67 . 1 1 11 11 VAL HG12 H 1 .99 . . 2 . . . . . . . . 2224 1 68 . 1 1 11 11 VAL HG13 H 1 .99 . . 2 . . . . . . . . 2224 1 69 . 1 1 11 11 VAL HG21 H 1 1.17 . . 2 . . . . . . . . 2224 1 70 . 1 1 11 11 VAL HG22 H 1 1.17 . . 2 . . . . . . . . 2224 1 71 . 1 1 11 11 VAL HG23 H 1 1.17 . . 2 . . . . . . . . 2224 1 72 . 1 1 12 12 SER H H 1 7.76 . . 1 . . . . . . . . 2224 1 73 . 1 1 12 12 SER HA H 1 4.48 . . 1 . . . . . . . . 2224 1 74 . 1 1 12 12 SER HB2 H 1 3.77 . . 1 . . . . . . . . 2224 1 75 . 1 1 12 12 SER HB3 H 1 3.77 . . 1 . . . . . . . . 2224 1 76 . 1 1 13 13 VAL H H 1 8.4 . . 1 . . . . . . . . 2224 1 77 . 1 1 13 13 VAL HA H 1 4.36 . . 1 . . . . . . . . 2224 1 78 . 1 1 13 13 VAL HB H 1 1.94 . . 1 . . . . . . . . 2224 1 79 . 1 1 13 13 VAL HG11 H 1 .86 . . 1 . . . . . . . . 2224 1 80 . 1 1 13 13 VAL HG12 H 1 .86 . . 1 . . . . . . . . 2224 1 81 . 1 1 13 13 VAL HG13 H 1 .86 . . 1 . . . . . . . . 2224 1 82 . 1 1 13 13 VAL HG21 H 1 .86 . . 1 . . . . . . . . 2224 1 83 . 1 1 13 13 VAL HG22 H 1 .86 . . 1 . . . . . . . . 2224 1 84 . 1 1 13 13 VAL HG23 H 1 .86 . . 1 . . . . . . . . 2224 1 85 . 1 1 14 14 LYS H H 1 9.09 . . 1 . . . . . . . . 2224 1 86 . 1 1 14 14 LYS HA H 1 4.53 . . 1 . . . . . . . . 2224 1 87 . 1 1 14 14 LYS HB2 H 1 1.62 . . 1 . . . . . . . . 2224 1 88 . 1 1 14 14 LYS HB3 H 1 1.62 . . 1 . . . . . . . . 2224 1 89 . 1 1 14 14 LYS HG2 H 1 1.32 . . 2 . . . . . . . . 2224 1 90 . 1 1 14 14 LYS HG3 H 1 1.25 . . 2 . . . . . . . . 2224 1 91 . 1 1 14 14 LYS HD2 H 1 1.52 . . 1 . . . . . . . . 2224 1 92 . 1 1 14 14 LYS HD3 H 1 1.52 . . 1 . . . . . . . . 2224 1 93 . 1 1 14 14 LYS HE2 H 1 2.87 . . 1 . . . . . . . . 2224 1 94 . 1 1 14 14 LYS HE3 H 1 2.87 . . 1 . . . . . . . . 2224 1 95 . 1 1 15 15 GLU H H 1 8.59 . . 1 . . . . . . . . 2224 1 96 . 1 1 15 15 GLU HA H 1 5.2 . . 1 . . . . . . . . 2224 1 97 . 1 1 15 15 GLU HB2 H 1 1.76 . . 2 . . . . . . . . 2224 1 98 . 1 1 15 15 GLU HB3 H 1 1.86 . . 2 . . . . . . . . 2224 1 99 . 1 1 15 15 GLU HG2 H 1 2.18 . . 2 . . . . . . . . 2224 1 100 . 1 1 15 15 GLU HG3 H 1 1.99 . . 2 . . . . . . . . 2224 1 101 . 1 1 16 16 ARG H H 1 8.76 . . 1 . . . . . . . . 2224 1 102 . 1 1 16 16 ARG HA H 1 4.66 . . 1 . . . . . . . . 2224 1 103 . 1 1 16 16 ARG HB2 H 1 1.63 . . 2 . . . . . . . . 2224 1 104 . 1 1 16 16 ARG HB3 H 1 1.77 . . 2 . . . . . . . . 2224 1 105 . 1 1 16 16 ARG HG2 H 1 1.45 . . 1 . . . . . . . . 2224 1 106 . 1 1 16 16 ARG HG3 H 1 1.45 . . 1 . . . . . . . . 2224 1 107 . 1 1 16 16 ARG HD2 H 1 3.13 . . 1 . . . . . . . . 2224 1 108 . 1 1 16 16 ARG HD3 H 1 3.13 . . 1 . . . . . . . . 2224 1 109 . 1 1 17 17 SER H H 1 8.59 . . 1 . . . . . . . . 2224 1 110 . 1 1 17 17 SER HA H 1 4.95 . . 1 . . . . . . . . 2224 1 111 . 1 1 17 17 SER HB2 H 1 3.83 . . 2 . . . . . . . . 2224 1 112 . 1 1 17 17 SER HB3 H 1 3.74 . . 2 . . . . . . . . 2224 1 113 . 1 1 18 18 GLY H H 1 8.03 . . 1 . . . . . . . . 2224 1 114 . 1 1 18 18 GLY HA2 H 1 3.74 . . 2 . . . . . . . . 2224 1 115 . 1 1 18 18 GLY HA3 H 1 3.83 . . 2 . . . . . . . . 2224 1 116 . 1 1 19 19 VAL H H 1 8.37 . . 1 . . . . . . . . 2224 1 117 . 1 1 19 19 VAL HA H 1 4.29 . . 1 . . . . . . . . 2224 1 118 . 1 1 19 19 VAL HB H 1 1.84 . . 1 . . . . . . . . 2224 1 119 . 1 1 19 19 VAL HG11 H 1 .74 . . 2 . . . . . . . . 2224 1 120 . 1 1 19 19 VAL HG12 H 1 .74 . . 2 . . . . . . . . 2224 1 121 . 1 1 19 19 VAL HG13 H 1 .74 . . 2 . . . . . . . . 2224 1 122 . 1 1 19 19 VAL HG21 H 1 .82 . . 2 . . . . . . . . 2224 1 123 . 1 1 19 19 VAL HG22 H 1 .82 . . 2 . . . . . . . . 2224 1 124 . 1 1 19 19 VAL HG23 H 1 .82 . . 2 . . . . . . . . 2224 1 125 . 1 1 20 20 SER H H 1 8.61 . . 1 . . . . . . . . 2224 1 126 . 1 1 20 20 SER HA H 1 4.45 . . 1 . . . . . . . . 2224 1 127 . 1 1 20 20 SER HB2 H 1 4.09 . . 2 . . . . . . . . 2224 1 128 . 1 1 20 20 SER HB3 H 1 3.9 . . 2 . . . . . . . . 2224 1 129 . 1 1 21 21 GLN H H 1 9.01 . . 1 . . . . . . . . 2224 1 130 . 1 1 21 21 GLN HA H 1 4.19 . . 1 . . . . . . . . 2224 1 131 . 1 1 21 21 GLN HB2 H 1 2.09 . . 2 . . . . . . . . 2224 1 132 . 1 1 21 21 GLN HB3 H 1 2.17 . . 2 . . . . . . . . 2224 1 133 . 1 1 21 21 GLN HG2 H 1 2.44 . . 2 . . . . . . . . 2224 1 134 . 1 1 21 21 GLN HG3 H 1 2.49 . . 2 . . . . . . . . 2224 1 135 . 1 1 22 22 LYS H H 1 8.25 . . 1 . . . . . . . . 2224 1 136 . 1 1 22 22 LYS HA H 1 4.23 . . 1 . . . . . . . . 2224 1 137 . 1 1 22 22 LYS HB2 H 1 1.81 . . 1 . . . . . . . . 2224 1 138 . 1 1 22 22 LYS HB3 H 1 1.81 . . 1 . . . . . . . . 2224 1 139 . 1 1 22 22 LYS HG2 H 1 1.46 . . 2 . . . . . . . . 2224 1 140 . 1 1 22 22 LYS HG3 H 1 1.42 . . 2 . . . . . . . . 2224 1 141 . 1 1 22 22 LYS HD2 H 1 1.68 . . 1 . . . . . . . . 2224 1 142 . 1 1 22 22 LYS HD3 H 1 1.68 . . 1 . . . . . . . . 2224 1 143 . 1 1 22 22 LYS HE2 H 1 2.99 . . 1 . . . . . . . . 2224 1 144 . 1 1 22 22 LYS HE3 H 1 2.99 . . 1 . . . . . . . . 2224 1 145 . 1 1 23 23 SER H H 1 7.94 . . 1 . . . . . . . . 2224 1 146 . 1 1 23 23 SER HA H 1 4.55 . . 1 . . . . . . . . 2224 1 147 . 1 1 23 23 SER HB2 H 1 4.01 . . 2 . . . . . . . . 2224 1 148 . 1 1 23 23 SER HB3 H 1 3.85 . . 2 . . . . . . . . 2224 1 149 . 1 1 24 24 GLY H H 1 8.14 . . 1 . . . . . . . . 2224 1 150 . 1 1 24 24 GLY HA2 H 1 4.13 . . 2 . . . . . . . . 2224 1 151 . 1 1 24 24 GLY HA3 H 1 3.83 . . 2 . . . . . . . . 2224 1 152 . 1 1 25 25 LYS H H 1 7.88 . . 1 . . . . . . . . 2224 1 153 . 1 1 25 25 LYS HA H 1 4.76 . . 1 . . . . . . . . 2224 1 154 . 1 1 25 25 LYS HB2 H 1 1.73 . . 1 . . . . . . . . 2224 1 155 . 1 1 25 25 LYS HB3 H 1 1.73 . . 1 . . . . . . . . 2224 1 156 . 1 1 25 25 LYS HE2 H 1 3.03 . . 1 . . . . . . . . 2224 1 157 . 1 1 25 25 LYS HE3 H 1 3.03 . . 1 . . . . . . . . 2224 1 158 . 1 1 26 26 PRO HA H 1 5.08 . . 1 . . . . . . . . 2224 1 159 . 1 1 26 26 PRO HB2 H 1 1.92 . . 2 . . . . . . . . 2224 1 160 . 1 1 26 26 PRO HB3 H 1 2.32 . . 2 . . . . . . . . 2224 1 161 . 1 1 26 26 PRO HG2 H 1 2.01 . . 2 . . . . . . . . 2224 1 162 . 1 1 26 26 PRO HG3 H 1 2.1 . . 2 . . . . . . . . 2224 1 163 . 1 1 26 26 PRO HD2 H 1 3.7 . . 2 . . . . . . . . 2224 1 164 . 1 1 26 26 PRO HD3 H 1 4 . . 2 . . . . . . . . 2224 1 165 . 1 1 27 27 TYR H H 1 8.42 . . 1 . . . . . . . . 2224 1 166 . 1 1 27 27 TYR HA H 1 4.92 . . 1 . . . . . . . . 2224 1 167 . 1 1 27 27 TYR HB2 H 1 2.95 . . 2 . . . . . . . . 2224 1 168 . 1 1 27 27 TYR HB3 H 1 3.05 . . 2 . . . . . . . . 2224 1 169 . 1 1 27 27 TYR HD1 H 1 6.92 . . 1 . . . . . . . . 2224 1 170 . 1 1 27 27 TYR HD2 H 1 6.92 . . 1 . . . . . . . . 2224 1 171 . 1 1 27 27 TYR HE1 H 1 6.54 . . 1 . . . . . . . . 2224 1 172 . 1 1 27 27 TYR HE2 H 1 6.54 . . 1 . . . . . . . . 2224 1 173 . 1 1 28 28 THR H H 1 8.46 . . 1 . . . . . . . . 2224 1 174 . 1 1 28 28 THR HA H 1 4.65 . . 1 . . . . . . . . 2224 1 175 . 1 1 28 28 THR HB H 1 3.9 . . 1 . . . . . . . . 2224 1 176 . 1 1 28 28 THR HG21 H 1 1.04 . . 1 . . . . . . . . 2224 1 177 . 1 1 28 28 THR HG22 H 1 1.04 . . 1 . . . . . . . . 2224 1 178 . 1 1 28 28 THR HG23 H 1 1.04 . . 1 . . . . . . . . 2224 1 179 . 1 1 29 29 ILE H H 1 9.04 . . 1 . . . . . . . . 2224 1 180 . 1 1 29 29 ILE HA H 1 4.13 . . 1 . . . . . . . . 2224 1 181 . 1 1 29 29 ILE HB H 1 1.62 . . 1 . . . . . . . . 2224 1 182 . 1 1 29 29 ILE HG12 H 1 1.04 . . 2 . . . . . . . . 2224 1 183 . 1 1 29 29 ILE HG13 H 1 1.31 . . 2 . . . . . . . . 2224 1 184 . 1 1 29 29 ILE HG21 H 1 .82 . . 1 . . . . . . . . 2224 1 185 . 1 1 29 29 ILE HG22 H 1 .82 . . 1 . . . . . . . . 2224 1 186 . 1 1 29 29 ILE HG23 H 1 .82 . . 1 . . . . . . . . 2224 1 187 . 1 1 29 29 ILE HD11 H 1 .7 . . 1 . . . . . . . . 2224 1 188 . 1 1 29 29 ILE HD12 H 1 .7 . . 1 . . . . . . . . 2224 1 189 . 1 1 29 29 ILE HD13 H 1 .7 . . 1 . . . . . . . . 2224 1 190 . 1 1 30 30 ARG H H 1 8.71 . . 1 . . . . . . . . 2224 1 191 . 1 1 30 30 ARG HA H 1 4.73 . . 1 . . . . . . . . 2224 1 192 . 1 1 30 30 ARG HB2 H 1 1.4 . . 2 . . . . . . . . 2224 1 193 . 1 1 30 30 ARG HB3 H 1 1.51 . . 2 . . . . . . . . 2224 1 194 . 1 1 30 30 ARG HG2 H 1 1.63 . . 2 . . . . . . . . 2224 1 195 . 1 1 30 30 ARG HG3 H 1 1.86 . . 2 . . . . . . . . 2224 1 196 . 1 1 30 30 ARG HD2 H 1 3.22 . . 2 . . . . . . . . 2224 1 197 . 1 1 30 30 ARG HD3 H 1 3.32 . . 2 . . . . . . . . 2224 1 198 . 1 1 30 30 ARG HE H 1 7.28 . . 1 . . . . . . . . 2224 1 199 . 1 1 31 31 GLU H H 1 8.83 . . 1 . . . . . . . . 2224 1 200 . 1 1 31 31 GLU HA H 1 5.14 . . 1 . . . . . . . . 2224 1 201 . 1 1 31 31 GLU HB2 H 1 1.74 . . 1 . . . . . . . . 2224 1 202 . 1 1 31 31 GLU HB3 H 1 1.74 . . 1 . . . . . . . . 2224 1 203 . 1 1 31 31 GLU HG2 H 1 2.09 . . 2 . . . . . . . . 2224 1 204 . 1 1 31 31 GLU HG3 H 1 1.97 . . 2 . . . . . . . . 2224 1 205 . 1 1 32 32 GLN H H 1 8.22 . . 1 . . . . . . . . 2224 1 206 . 1 1 32 32 GLN HA H 1 4.5 . . 1 . . . . . . . . 2224 1 207 . 1 1 33 33 GLU H H 1 8.31 . . 1 . . . . . . . . 2224 1 208 . 1 1 33 33 GLU HA H 1 4.84 . . 1 . . . . . . . . 2224 1 209 . 1 1 34 34 ALA H H 1 8.1 . . 1 . . . . . . . . 2224 1 210 . 1 1 34 34 ALA HA H 1 4.56 . . 1 . . . . . . . . 2224 1 211 . 1 1 34 34 ALA HB1 H 1 1.16 . . 1 . . . . . . . . 2224 1 212 . 1 1 34 34 ALA HB2 H 1 1.16 . . 1 . . . . . . . . 2224 1 213 . 1 1 34 34 ALA HB3 H 1 1.16 . . 1 . . . . . . . . 2224 1 214 . 1 1 35 35 TYR H H 1 8.72 . . 1 . . . . . . . . 2224 1 215 . 1 1 35 35 TYR HA H 1 5.76 . . 1 . . . . . . . . 2224 1 216 . 1 1 35 35 TYR HB2 H 1 2.78 . . 2 . . . . . . . . 2224 1 217 . 1 1 35 35 TYR HB3 H 1 2.95 . . 2 . . . . . . . . 2224 1 218 . 1 1 35 35 TYR HD1 H 1 6.91 . . 1 . . . . . . . . 2224 1 219 . 1 1 35 35 TYR HD2 H 1 6.91 . . 1 . . . . . . . . 2224 1 220 . 1 1 35 35 TYR HE1 H 1 6.63 . . 1 . . . . . . . . 2224 1 221 . 1 1 35 35 TYR HE2 H 1 6.63 . . 1 . . . . . . . . 2224 1 222 . 1 1 36 36 ILE H H 1 9.95 . . 1 . . . . . . . . 2224 1 223 . 1 1 36 36 ILE HA H 1 5.33 . . 1 . . . . . . . . 2224 1 224 . 1 1 36 36 ILE HB H 1 1.34 . . 1 . . . . . . . . 2224 1 225 . 1 1 36 36 ILE HG12 H 1 .45 . . 1 . . . . . . . . 2224 1 226 . 1 1 36 36 ILE HG13 H 1 .45 . . 1 . . . . . . . . 2224 1 227 . 1 1 37 37 ASP H H 1 8.3 . . 1 . . . . . . . . 2224 1 228 . 1 1 37 37 ASP HA H 1 4.61 . . 1 . . . . . . . . 2224 1 229 . 1 1 37 37 ASP HB2 H 1 2.73 . . 2 . . . . . . . . 2224 1 230 . 1 1 37 37 ASP HB3 H 1 2.93 . . 2 . . . . . . . . 2224 1 231 . 1 1 38 38 LEU H H 1 8.36 . . 1 . . . . . . . . 2224 1 232 . 1 1 38 38 LEU HA H 1 4.58 . . 1 . . . . . . . . 2224 1 233 . 1 1 38 38 LEU HB2 H 1 1.91 . . 1 . . . . . . . . 2224 1 234 . 1 1 38 38 LEU HB3 H 1 1.91 . . 1 . . . . . . . . 2224 1 235 . 1 1 38 38 LEU HG H 1 1.64 . . 1 . . . . . . . . 2224 1 236 . 1 1 38 38 LEU HD11 H 1 .58 . . 2 . . . . . . . . 2224 1 237 . 1 1 38 38 LEU HD12 H 1 .58 . . 2 . . . . . . . . 2224 1 238 . 1 1 38 38 LEU HD13 H 1 .58 . . 2 . . . . . . . . 2224 1 239 . 1 1 38 38 LEU HD21 H 1 .78 . . 2 . . . . . . . . 2224 1 240 . 1 1 38 38 LEU HD22 H 1 .78 . . 2 . . . . . . . . 2224 1 241 . 1 1 38 38 LEU HD23 H 1 .78 . . 2 . . . . . . . . 2224 1 242 . 1 1 39 39 GLY H H 1 8.36 . . 1 . . . . . . . . 2224 1 243 . 1 1 39 39 GLY HA2 H 1 4.41 . . 2 . . . . . . . . 2224 1 244 . 1 1 39 39 GLY HA3 H 1 3.8 . . 2 . . . . . . . . 2224 1 245 . 1 1 40 40 GLY H H 1 8.7 . . 1 . . . . . . . . 2224 1 246 . 1 1 40 40 GLY HA2 H 1 4.18 . . 2 . . . . . . . . 2224 1 247 . 1 1 40 40 GLY HA3 H 1 3.8 . . 2 . . . . . . . . 2224 1 248 . 1 1 41 41 VAL H H 1 8.39 . . 1 . . . . . . . . 2224 1 249 . 1 1 41 41 VAL HA H 1 3.58 . . 1 . . . . . . . . 2224 1 250 . 1 1 41 41 VAL HB H 1 1.74 . . 1 . . . . . . . . 2224 1 251 . 1 1 41 41 VAL HG11 H 1 .48 . . 2 . . . . . . . . 2224 1 252 . 1 1 41 41 VAL HG12 H 1 .48 . . 2 . . . . . . . . 2224 1 253 . 1 1 41 41 VAL HG13 H 1 .48 . . 2 . . . . . . . . 2224 1 254 . 1 1 41 41 VAL HG21 H 1 .87 . . 2 . . . . . . . . 2224 1 255 . 1 1 41 41 VAL HG22 H 1 .87 . . 2 . . . . . . . . 2224 1 256 . 1 1 41 41 VAL HG23 H 1 .87 . . 2 . . . . . . . . 2224 1 257 . 1 1 42 42 TYR H H 1 7.62 . . 1 . . . . . . . . 2224 1 258 . 1 1 42 42 TYR HA H 1 4.98 . . 1 . . . . . . . . 2224 1 259 . 1 1 42 42 TYR HB2 H 1 2.69 . . 2 . . . . . . . . 2224 1 260 . 1 1 42 42 TYR HB3 H 1 3.2 . . 2 . . . . . . . . 2224 1 261 . 1 1 42 42 TYR HD1 H 1 7.16 . . 1 . . . . . . . . 2224 1 262 . 1 1 42 42 TYR HD2 H 1 7.16 . . 1 . . . . . . . . 2224 1 263 . 1 1 42 42 TYR HE1 H 1 6.81 . . 1 . . . . . . . . 2224 1 264 . 1 1 42 42 TYR HE2 H 1 6.81 . . 1 . . . . . . . . 2224 1 265 . 1 1 43 43 PRO HA H 1 4.73 . . 1 . . . . . . . . 2224 1 266 . 1 1 43 43 PRO HB2 H 1 1.88 . . 2 . . . . . . . . 2224 1 267 . 1 1 43 43 PRO HB3 H 1 2.77 . . 2 . . . . . . . . 2224 1 268 . 1 1 43 43 PRO HD2 H 1 3.68 . . 2 . . . . . . . . 2224 1 269 . 1 1 43 43 PRO HD3 H 1 3.81 . . 2 . . . . . . . . 2224 1 270 . 1 1 44 44 ALA H H 1 9.15 . . 1 . . . . . . . . 2224 1 271 . 1 1 44 44 ALA HA H 1 4.73 . . 1 . . . . . . . . 2224 1 272 . 1 1 44 44 ALA HB1 H 1 1.5 . . 1 . . . . . . . . 2224 1 273 . 1 1 44 44 ALA HB2 H 1 1.5 . . 1 . . . . . . . . 2224 1 274 . 1 1 44 44 ALA HB3 H 1 1.5 . . 1 . . . . . . . . 2224 1 275 . 1 1 45 45 LEU H H 1 8.38 . . 1 . . . . . . . . 2224 1 276 . 1 1 45 45 LEU HA H 1 4.46 . . 1 . . . . . . . . 2224 1 277 . 1 1 45 45 LEU HB2 H 1 1.64 . . 1 . . . . . . . . 2224 1 278 . 1 1 45 45 LEU HB3 H 1 1.64 . . 1 . . . . . . . . 2224 1 279 . 1 1 45 45 LEU HG H 1 1.34 . . 1 . . . . . . . . 2224 1 280 . 1 1 45 45 LEU HD11 H 1 .44 . . 2 . . . . . . . . 2224 1 281 . 1 1 45 45 LEU HD12 H 1 .44 . . 2 . . . . . . . . 2224 1 282 . 1 1 45 45 LEU HD13 H 1 .44 . . 2 . . . . . . . . 2224 1 283 . 1 1 45 45 LEU HD21 H 1 .68 . . 2 . . . . . . . . 2224 1 284 . 1 1 45 45 LEU HD22 H 1 .68 . . 2 . . . . . . . . 2224 1 285 . 1 1 45 45 LEU HD23 H 1 .68 . . 2 . . . . . . . . 2224 1 286 . 1 1 46 46 PHE H H 1 9.56 . . 1 . . . . . . . . 2224 1 287 . 1 1 46 46 PHE HA H 1 5.32 . . 1 . . . . . . . . 2224 1 288 . 1 1 46 46 PHE HB2 H 1 2.97 . . 2 . . . . . . . . 2224 1 289 . 1 1 46 46 PHE HB3 H 1 3.43 . . 2 . . . . . . . . 2224 1 290 . 1 1 46 46 PHE HD1 H 1 7.02 . . 1 . . . . . . . . 2224 1 291 . 1 1 46 46 PHE HD2 H 1 7.02 . . 1 . . . . . . . . 2224 1 292 . 1 1 46 46 PHE HE1 H 1 6.64 . . 1 . . . . . . . . 2224 1 293 . 1 1 46 46 PHE HE2 H 1 6.64 . . 1 . . . . . . . . 2224 1 294 . 1 1 46 46 PHE HZ H 1 7.34 . . 1 . . . . . . . . 2224 1 295 . 1 1 47 47 ASN H H 1 8.65 . . 1 . . . . . . . . 2224 1 296 . 1 1 47 47 ASN HA H 1 5.33 . . 1 . . . . . . . . 2224 1 297 . 1 1 47 47 ASN HB2 H 1 2.09 . . 2 . . . . . . . . 2224 1 298 . 1 1 47 47 ASN HB3 H 1 2.34 . . 2 . . . . . . . . 2224 1 299 . 1 1 47 47 ASN HD21 H 1 7.42 . . 1 . . . . . . . . 2224 1 300 . 1 1 47 47 ASN HD22 H 1 7.42 . . 1 . . . . . . . . 2224 1 301 . 1 1 48 48 PHE H H 1 8.12 . . 1 . . . . . . . . 2224 1 302 . 1 1 48 48 PHE HA H 1 5.01 . . 1 . . . . . . . . 2224 1 303 . 1 1 48 48 PHE HB2 H 1 3.1 . . 2 . . . . . . . . 2224 1 304 . 1 1 48 48 PHE HB3 H 1 3.2 . . 2 . . . . . . . . 2224 1 305 . 1 1 48 48 PHE HE1 H 1 6.69 . . 1 . . . . . . . . 2224 1 306 . 1 1 48 48 PHE HE2 H 1 6.69 . . 1 . . . . . . . . 2224 1 307 . 1 1 48 48 PHE HZ H 1 6.82 . . 1 . . . . . . . . 2224 1 308 . 1 1 49 49 ASN H H 1 8.42 . . 1 . . . . . . . . 2224 1 309 . 1 1 49 49 ASN HA H 1 5.01 . . 1 . . . . . . . . 2224 1 310 . 1 1 49 49 ASN HB2 H 1 2.78 . . 1 . . . . . . . . 2224 1 311 . 1 1 49 49 ASN HB3 H 1 2.78 . . 1 . . . . . . . . 2224 1 312 . 1 1 50 50 LEU H H 1 8.48 . . 1 . . . . . . . . 2224 1 313 . 1 1 50 50 LEU HA H 1 4.41 . . 1 . . . . . . . . 2224 1 314 . 1 1 50 50 LEU HB2 H 1 1.42 . . 1 . . . . . . . . 2224 1 315 . 1 1 50 50 LEU HB3 H 1 1.42 . . 1 . . . . . . . . 2224 1 316 . 1 1 50 50 LEU HG H 1 1.42 . . 1 . . . . . . . . 2224 1 317 . 1 1 50 50 LEU HD11 H 1 .49 . . 2 . . . . . . . . 2224 1 318 . 1 1 50 50 LEU HD12 H 1 .49 . . 2 . . . . . . . . 2224 1 319 . 1 1 50 50 LEU HD13 H 1 .49 . . 2 . . . . . . . . 2224 1 320 . 1 1 50 50 LEU HD21 H 1 .8 . . 2 . . . . . . . . 2224 1 321 . 1 1 50 50 LEU HD22 H 1 .8 . . 2 . . . . . . . . 2224 1 322 . 1 1 50 50 LEU HD23 H 1 .8 . . 2 . . . . . . . . 2224 1 323 . 1 1 51 51 GLU H H 1 8.81 . . 1 . . . . . . . . 2224 1 324 . 1 1 51 51 GLU HA H 1 4.47 . . 1 . . . . . . . . 2224 1 325 . 1 1 51 51 GLU HB2 H 1 2.13 . . 1 . . . . . . . . 2224 1 326 . 1 1 51 51 GLU HB3 H 1 2.13 . . 1 . . . . . . . . 2224 1 327 . 1 1 51 51 GLU HG2 H 1 2.26 . . 1 . . . . . . . . 2224 1 328 . 1 1 51 51 GLU HG3 H 1 2.26 . . 1 . . . . . . . . 2224 1 329 . 1 1 52 52 ASP H H 1 8.97 . . 1 . . . . . . . . 2224 1 330 . 1 1 52 52 ASP HA H 1 4.34 . . 1 . . . . . . . . 2224 1 331 . 1 1 52 52 ASP HB2 H 1 2.63 . . 1 . . . . . . . . 2224 1 332 . 1 1 52 52 ASP HB3 H 1 2.63 . . 1 . . . . . . . . 2224 1 333 . 1 1 53 53 GLY H H 1 8.81 . . 1 . . . . . . . . 2224 1 334 . 1 1 53 53 GLY HA2 H 1 4.09 . . 2 . . . . . . . . 2224 1 335 . 1 1 53 53 GLY HA3 H 1 3.65 . . 2 . . . . . . . . 2224 1 336 . 1 1 54 54 GLN H H 1 7.9 . . 1 . . . . . . . . 2224 1 337 . 1 1 54 54 GLN HA H 1 4.25 . . 1 . . . . . . . . 2224 1 338 . 1 1 54 54 GLN HB2 H 1 2.18 . . 1 . . . . . . . . 2224 1 339 . 1 1 54 54 GLN HB3 H 1 2.18 . . 1 . . . . . . . . 2224 1 340 . 1 1 54 54 GLN HG2 H 1 2.39 . . 1 . . . . . . . . 2224 1 341 . 1 1 54 54 GLN HG3 H 1 2.39 . . 1 . . . . . . . . 2224 1 342 . 1 1 55 55 GLN H H 1 8.73 . . 1 . . . . . . . . 2224 1 343 . 1 1 55 55 GLN HA H 1 4.37 . . 1 . . . . . . . . 2224 1 344 . 1 1 55 55 GLN HB2 H 1 1.76 . . 1 . . . . . . . . 2224 1 345 . 1 1 55 55 GLN HB3 H 1 1.76 . . 1 . . . . . . . . 2224 1 346 . 1 1 55 55 GLN HG2 H 1 2.15 . . 2 . . . . . . . . 2224 1 347 . 1 1 55 55 GLN HG3 H 1 2.39 . . 2 . . . . . . . . 2224 1 348 . 1 1 56 56 PRO HA H 1 4.16 . . 1 . . . . . . . . 2224 1 349 . 1 1 56 56 PRO HB2 H 1 1.87 . . 1 . . . . . . . . 2224 1 350 . 1 1 56 56 PRO HB3 H 1 1.87 . . 1 . . . . . . . . 2224 1 351 . 1 1 56 56 PRO HD2 H 1 3.28 . . 2 . . . . . . . . 2224 1 352 . 1 1 56 56 PRO HD3 H 1 3.65 . . 2 . . . . . . . . 2224 1 353 . 1 1 57 57 TYR H H 1 10.12 . . 1 . . . . . . . . 2224 1 354 . 1 1 57 57 TYR HA H 1 4.4 . . 1 . . . . . . . . 2224 1 355 . 1 1 57 57 TYR HB2 H 1 2.54 . . 2 . . . . . . . . 2224 1 356 . 1 1 57 57 TYR HB3 H 1 2.87 . . 2 . . . . . . . . 2224 1 357 . 1 1 57 57 TYR HD1 H 1 7.33 . . 1 . . . . . . . . 2224 1 358 . 1 1 57 57 TYR HD2 H 1 7.33 . . 1 . . . . . . . . 2224 1 359 . 1 1 57 57 TYR HE1 H 1 6.86 . . 1 . . . . . . . . 2224 1 360 . 1 1 57 57 TYR HE2 H 1 6.86 . . 1 . . . . . . . . 2224 1 361 . 1 1 58 58 PRO HA H 1 4.54 . . 1 . . . . . . . . 2224 1 362 . 1 1 58 58 PRO HB2 H 1 2.09 . . 2 . . . . . . . . 2224 1 363 . 1 1 58 58 PRO HB3 H 1 2.42 . . 2 . . . . . . . . 2224 1 364 . 1 1 58 58 PRO HD2 H 1 3.92 . . 2 . . . . . . . . 2224 1 365 . 1 1 58 58 PRO HD3 H 1 4.04 . . 2 . . . . . . . . 2224 1 366 . 1 1 59 59 ALA H H 1 8.45 . . 1 . . . . . . . . 2224 1 367 . 1 1 59 59 ALA HA H 1 4.03 . . 1 . . . . . . . . 2224 1 368 . 1 1 59 59 ALA HB1 H 1 1.34 . . 1 . . . . . . . . 2224 1 369 . 1 1 59 59 ALA HB2 H 1 1.34 . . 1 . . . . . . . . 2224 1 370 . 1 1 59 59 ALA HB3 H 1 1.34 . . 1 . . . . . . . . 2224 1 371 . 1 1 60 60 GLY H H 1 8.84 . . 1 . . . . . . . . 2224 1 372 . 1 1 60 60 GLY HA2 H 1 4.31 . . 2 . . . . . . . . 2224 1 373 . 1 1 60 60 GLY HA3 H 1 3.88 . . 2 . . . . . . . . 2224 1 374 . 1 1 61 61 LYS H H 1 8.03 . . 1 . . . . . . . . 2224 1 375 . 1 1 61 61 LYS HA H 1 5.12 . . 1 . . . . . . . . 2224 1 376 . 1 1 61 61 LYS HB2 H 1 1.74 . . 1 . . . . . . . . 2224 1 377 . 1 1 61 61 LYS HB3 H 1 1.74 . . 1 . . . . . . . . 2224 1 378 . 1 1 62 62 TYR H H 1 9.53 . . 1 . . . . . . . . 2224 1 379 . 1 1 62 62 TYR HA H 1 5.26 . . 1 . . . . . . . . 2224 1 380 . 1 1 62 62 TYR HB2 H 1 2.32 . . 2 . . . . . . . . 2224 1 381 . 1 1 62 62 TYR HB3 H 1 2.79 . . 2 . . . . . . . . 2224 1 382 . 1 1 62 62 TYR HD1 H 1 6.72 . . 1 . . . . . . . . 2224 1 383 . 1 1 62 62 TYR HD2 H 1 6.72 . . 1 . . . . . . . . 2224 1 384 . 1 1 62 62 TYR HE1 H 1 6.57 . . 1 . . . . . . . . 2224 1 385 . 1 1 62 62 TYR HE2 H 1 6.57 . . 1 . . . . . . . . 2224 1 386 . 1 1 63 63 ARG H H 1 9.32 . . 1 . . . . . . . . 2224 1 387 . 1 1 63 63 ARG HA H 1 5.01 . . 1 . . . . . . . . 2224 1 388 . 1 1 63 63 ARG HB2 H 1 1.78 . . 1 . . . . . . . . 2224 1 389 . 1 1 63 63 ARG HB3 H 1 1.78 . . 1 . . . . . . . . 2224 1 390 . 1 1 63 63 ARG HG2 H 1 1.58 . . 2 . . . . . . . . 2224 1 391 . 1 1 63 63 ARG HG3 H 1 1.4 . . 2 . . . . . . . . 2224 1 392 . 1 1 64 64 LEU H H 1 8.46 . . 1 . . . . . . . . 2224 1 393 . 1 1 64 64 LEU HA H 1 4.32 . . 1 . . . . . . . . 2224 1 394 . 1 1 64 64 LEU HB2 H 1 1.53 . . 1 . . . . . . . . 2224 1 395 . 1 1 64 64 LEU HB3 H 1 1.53 . . 1 . . . . . . . . 2224 1 396 . 1 1 64 64 LEU HG H 1 1.39 . . 1 . . . . . . . . 2224 1 397 . 1 1 64 64 LEU HD11 H 1 .56 . . 2 . . . . . . . . 2224 1 398 . 1 1 64 64 LEU HD12 H 1 .56 . . 2 . . . . . . . . 2224 1 399 . 1 1 64 64 LEU HD13 H 1 .56 . . 2 . . . . . . . . 2224 1 400 . 1 1 64 64 LEU HD21 H 1 .65 . . 2 . . . . . . . . 2224 1 401 . 1 1 64 64 LEU HD22 H 1 .65 . . 2 . . . . . . . . 2224 1 402 . 1 1 64 64 LEU HD23 H 1 .65 . . 2 . . . . . . . . 2224 1 403 . 1 1 65 65 HIS H H 1 8.93 . . 1 . . . . . . . . 2224 1 404 . 1 1 65 65 HIS HA H 1 4.52 . . 1 . . . . . . . . 2224 1 405 . 1 1 65 65 HIS HB2 H 1 2.65 . . 2 . . . . . . . . 2224 1 406 . 1 1 65 65 HIS HB3 H 1 2.88 . . 2 . . . . . . . . 2224 1 407 . 1 1 65 65 HIS HD2 H 1 7.84 . . 1 . . . . . . . . 2224 1 408 . 1 1 65 65 HIS HE1 H 1 7.07 . . 1 . . . . . . . . 2224 1 409 . 1 1 66 66 PRO HA H 1 4.42 . . 1 . . . . . . . . 2224 1 410 . 1 1 66 66 PRO HB2 H 1 2.48 . . 1 . . . . . . . . 2224 1 411 . 1 1 66 66 PRO HB3 H 1 2.48 . . 1 . . . . . . . . 2224 1 412 . 1 1 66 66 PRO HG2 H 1 1.9 . . 1 . . . . . . . . 2224 1 413 . 1 1 66 66 PRO HG3 H 1 1.9 . . 1 . . . . . . . . 2224 1 414 . 1 1 66 66 PRO HD2 H 1 3.59 . . 1 . . . . . . . . 2224 1 415 . 1 1 66 66 PRO HD3 H 1 3.59 . . 1 . . . . . . . . 2224 1 416 . 1 1 67 67 ALA H H 1 11.35 . . 1 . . . . . . . . 2224 1 417 . 1 1 67 67 ALA HA H 1 4.64 . . 1 . . . . . . . . 2224 1 418 . 1 1 67 67 ALA HB1 H 1 1.54 . . 1 . . . . . . . . 2224 1 419 . 1 1 67 67 ALA HB2 H 1 1.54 . . 1 . . . . . . . . 2224 1 420 . 1 1 67 67 ALA HB3 H 1 1.54 . . 1 . . . . . . . . 2224 1 421 . 1 1 68 68 SER H H 1 8.81 . . 1 . . . . . . . . 2224 1 422 . 1 1 68 68 SER HA H 1 4.64 . . 1 . . . . . . . . 2224 1 423 . 1 1 68 68 SER HB2 H 1 3.51 . . 2 . . . . . . . . 2224 1 424 . 1 1 68 68 SER HB3 H 1 3.32 . . 2 . . . . . . . . 2224 1 425 . 1 1 69 69 PHE H H 1 7.83 . . 1 . . . . . . . . 2224 1 426 . 1 1 69 69 PHE HA H 1 5.07 . . 1 . . . . . . . . 2224 1 427 . 1 1 69 69 PHE HB2 H 1 2.81 . . 2 . . . . . . . . 2224 1 428 . 1 1 69 69 PHE HB3 H 1 3.06 . . 2 . . . . . . . . 2224 1 429 . 1 1 69 69 PHE HD1 H 1 6.99 . . 1 . . . . . . . . 2224 1 430 . 1 1 69 69 PHE HD2 H 1 6.99 . . 1 . . . . . . . . 2224 1 431 . 1 1 69 69 PHE HE1 H 1 6.83 . . 1 . . . . . . . . 2224 1 432 . 1 1 69 69 PHE HE2 H 1 6.83 . . 1 . . . . . . . . 2224 1 433 . 1 1 69 69 PHE HZ H 1 7.2 . . 1 . . . . . . . . 2224 1 434 . 1 1 70 70 LYS H H 1 9.11 . . 1 . . . . . . . . 2224 1 435 . 1 1 70 70 LYS HA H 1 4.74 . . 1 . . . . . . . . 2224 1 436 . 1 1 71 71 ILE H H 1 8.3 . . 1 . . . . . . . . 2224 1 437 . 1 1 71 71 ILE HA H 1 4.74 . . 1 . . . . . . . . 2224 1 438 . 1 1 71 71 ILE HB H 1 2.04 . . 1 . . . . . . . . 2224 1 439 . 1 1 71 71 ILE HG12 H 1 1.11 . . 1 . . . . . . . . 2224 1 440 . 1 1 71 71 ILE HG13 H 1 1.11 . . 1 . . . . . . . . 2224 1 441 . 1 1 72 72 ASN H H 1 9.43 . . 1 . . . . . . . . 2224 1 442 . 1 1 72 72 ASN HA H 1 4.75 . . 1 . . . . . . . . 2224 1 443 . 1 1 72 72 ASN HB2 H 1 2.75 . . 2 . . . . . . . . 2224 1 444 . 1 1 72 72 ASN HB3 H 1 3.67 . . 2 . . . . . . . . 2224 1 445 . 1 1 73 73 ASN H H 1 8.48 . . 1 . . . . . . . . 2224 1 446 . 1 1 73 73 ASN HA H 1 4.4 . . 1 . . . . . . . . 2224 1 447 . 1 1 73 73 ASN HB2 H 1 2.52 . . 2 . . . . . . . . 2224 1 448 . 1 1 73 73 ASN HB3 H 1 2.6 . . 2 . . . . . . . . 2224 1 449 . 1 1 74 74 PHE H H 1 7.77 . . 1 . . . . . . . . 2224 1 450 . 1 1 74 74 PHE HA H 1 4.82 . . 1 . . . . . . . . 2224 1 451 . 1 1 74 74 PHE HB2 H 1 2.89 . . 2 . . . . . . . . 2224 1 452 . 1 1 74 74 PHE HB3 H 1 3.5 . . 2 . . . . . . . . 2224 1 453 . 1 1 74 74 PHE HD1 H 1 7.32 . . 1 . . . . . . . . 2224 1 454 . 1 1 74 74 PHE HD2 H 1 7.32 . . 1 . . . . . . . . 2224 1 455 . 1 1 74 74 PHE HE1 H 1 7.22 . . 1 . . . . . . . . 2224 1 456 . 1 1 74 74 PHE HE2 H 1 7.22 . . 1 . . . . . . . . 2224 1 457 . 1 1 74 74 PHE HZ H 1 7.39 . . 1 . . . . . . . . 2224 1 458 . 1 1 75 75 GLY H H 1 8.31 . . 1 . . . . . . . . 2224 1 459 . 1 1 75 75 GLY HA2 H 1 4.13 . . 2 . . . . . . . . 2224 1 460 . 1 1 75 75 GLY HA3 H 1 3.73 . . 2 . . . . . . . . 2224 1 461 . 1 1 76 76 GLN H H 1 7.65 . . 1 . . . . . . . . 2224 1 462 . 1 1 76 76 GLN HA H 1 5.26 . . 1 . . . . . . . . 2224 1 463 . 1 1 76 76 GLN HB2 H 1 2.04 . . 2 . . . . . . . . 2224 1 464 . 1 1 76 76 GLN HB3 H 1 2.33 . . 2 . . . . . . . . 2224 1 465 . 1 1 76 76 GLN HG2 H 1 2.44 . . 2 . . . . . . . . 2224 1 466 . 1 1 76 76 GLN HG3 H 1 2.58 . . 2 . . . . . . . . 2224 1 467 . 1 1 77 77 VAL H H 1 9.1 . . 1 . . . . . . . . 2224 1 468 . 1 1 77 77 VAL HA H 1 4.5 . . 1 . . . . . . . . 2224 1 469 . 1 1 77 77 VAL HB H 1 1.63 . . 1 . . . . . . . . 2224 1 470 . 1 1 77 77 VAL HG11 H 1 .68 . . 2 . . . . . . . . 2224 1 471 . 1 1 77 77 VAL HG12 H 1 .68 . . 2 . . . . . . . . 2224 1 472 . 1 1 77 77 VAL HG13 H 1 .68 . . 2 . . . . . . . . 2224 1 473 . 1 1 77 77 VAL HG21 H 1 .81 . . 2 . . . . . . . . 2224 1 474 . 1 1 77 77 VAL HG22 H 1 .81 . . 2 . . . . . . . . 2224 1 475 . 1 1 77 77 VAL HG23 H 1 .81 . . 2 . . . . . . . . 2224 1 476 . 1 1 78 78 ALA H H 1 9.1 . . 1 . . . . . . . . 2224 1 477 . 1 1 78 78 ALA HA H 1 4.76 . . 1 . . . . . . . . 2224 1 478 . 1 1 78 78 ALA HB1 H 1 1.4 . . 1 . . . . . . . . 2224 1 479 . 1 1 78 78 ALA HB2 H 1 1.4 . . 1 . . . . . . . . 2224 1 480 . 1 1 78 78 ALA HB3 H 1 1.4 . . 1 . . . . . . . . 2224 1 481 . 1 1 79 79 VAL H H 1 8.51 . . 1 . . . . . . . . 2224 1 482 . 1 1 79 79 VAL HA H 1 4.05 . . 1 . . . . . . . . 2224 1 483 . 1 1 79 79 VAL HB H 1 2.05 . . 1 . . . . . . . . 2224 1 484 . 1 1 79 79 VAL HG11 H 1 .67 . . 2 . . . . . . . . 2224 1 485 . 1 1 79 79 VAL HG12 H 1 .67 . . 2 . . . . . . . . 2224 1 486 . 1 1 79 79 VAL HG13 H 1 .67 . . 2 . . . . . . . . 2224 1 487 . 1 1 79 79 VAL HG21 H 1 .8 . . 2 . . . . . . . . 2224 1 488 . 1 1 79 79 VAL HG22 H 1 .8 . . 2 . . . . . . . . 2224 1 489 . 1 1 79 79 VAL HG23 H 1 .8 . . 2 . . . . . . . . 2224 1 490 . 1 1 80 80 GLY H H 1 9.07 . . 1 . . . . . . . . 2224 1 491 . 1 1 80 80 GLY HA2 H 1 4.3 . . 2 . . . . . . . . 2224 1 492 . 1 1 80 80 GLY HA3 H 1 3.52 . . 2 . . . . . . . . 2224 1 493 . 1 1 81 81 ARG H H 1 8.19 . . 1 . . . . . . . . 2224 1 494 . 1 1 81 81 ARG HA H 1 4.41 . . 1 . . . . . . . . 2224 1 495 . 1 1 81 81 ARG HB2 H 1 1.8 . . 1 . . . . . . . . 2224 1 496 . 1 1 81 81 ARG HB3 H 1 1.8 . . 1 . . . . . . . . 2224 1 497 . 1 1 81 81 ARG HG2 H 1 1.65 . . 2 . . . . . . . . 2224 1 498 . 1 1 81 81 ARG HG3 H 1 1.53 . . 2 . . . . . . . . 2224 1 499 . 1 1 81 81 ARG HD2 H 1 3.14 . . 2 . . . . . . . . 2224 1 500 . 1 1 81 81 ARG HD3 H 1 3.18 . . 2 . . . . . . . . 2224 1 501 . 1 1 82 82 VAL H H 1 8.23 . . 1 . . . . . . . . 2224 1 502 . 1 1 82 82 VAL HA H 1 3.41 . . 1 . . . . . . . . 2224 1 503 . 1 1 82 82 VAL HB H 1 1.8 . . 1 . . . . . . . . 2224 1 504 . 1 1 82 82 VAL HG11 H 1 .2 . . 2 . . . . . . . . 2224 1 505 . 1 1 82 82 VAL HG12 H 1 .2 . . 2 . . . . . . . . 2224 1 506 . 1 1 82 82 VAL HG13 H 1 .2 . . 2 . . . . . . . . 2224 1 507 . 1 1 82 82 VAL HG21 H 1 .95 . . 2 . . . . . . . . 2224 1 508 . 1 1 82 82 VAL HG22 H 1 .95 . . 2 . . . . . . . . 2224 1 509 . 1 1 82 82 VAL HG23 H 1 .95 . . 2 . . . . . . . . 2224 1 510 . 1 1 83 83 LEU H H 1 8.21 . . 1 . . . . . . . . 2224 1 511 . 1 1 83 83 LEU HA H 1 4.42 . . 1 . . . . . . . . 2224 1 512 . 1 1 83 83 LEU HB2 H 1 1.39 . . 1 . . . . . . . . 2224 1 513 . 1 1 83 83 LEU HB3 H 1 1.39 . . 1 . . . . . . . . 2224 1 514 . 1 1 84 84 LEU H H 1 7.15 . . 1 . . . . . . . . 2224 1 515 . 1 1 84 84 LEU HA H 1 4.91 . . 1 . . . . . . . . 2224 1 516 . 1 1 84 84 LEU HB2 H 1 .37 . . 1 . . . . . . . . 2224 1 517 . 1 1 84 84 LEU HB3 H 1 .37 . . 1 . . . . . . . . 2224 1 518 . 1 1 84 84 LEU HG H 1 .37 . . 1 . . . . . . . . 2224 1 519 . 1 1 84 84 LEU HD11 H 1 .72 . . 2 . . . . . . . . 2224 1 520 . 1 1 84 84 LEU HD12 H 1 .72 . . 2 . . . . . . . . 2224 1 521 . 1 1 84 84 LEU HD13 H 1 .72 . . 2 . . . . . . . . 2224 1 522 . 1 1 84 84 LEU HD21 H 1 .11 . . 2 . . . . . . . . 2224 1 523 . 1 1 84 84 LEU HD22 H 1 .11 . . 2 . . . . . . . . 2224 1 524 . 1 1 84 84 LEU HD23 H 1 .11 . . 2 . . . . . . . . 2224 1 525 . 1 1 85 85 GLN H H 1 8.99 . . 1 . . . . . . . . 2224 1 526 . 1 1 85 85 GLN HA H 1 4.91 . . 1 . . . . . . . . 2224 1 527 . 1 1 85 85 GLN HB2 H 1 1.98 . . 1 . . . . . . . . 2224 1 528 . 1 1 85 85 GLN HB3 H 1 1.98 . . 1 . . . . . . . . 2224 1 529 . 1 1 85 85 GLN HG2 H 1 2.1 . . 2 . . . . . . . . 2224 1 530 . 1 1 85 85 GLN HG3 H 1 2.31 . . 2 . . . . . . . . 2224 1 531 . 1 1 86 86 SER H H 1 9.12 . . 1 . . . . . . . . 2224 1 532 . 1 1 86 86 SER HA H 1 4.11 . . 1 . . . . . . . . 2224 1 533 . 1 1 86 86 SER HB2 H 1 3.83 . . 1 . . . . . . . . 2224 1 534 . 1 1 86 86 SER HB3 H 1 3.83 . . 1 . . . . . . . . 2224 1 535 . 1 1 87 87 VAL H H 1 7.79 . . 1 . . . . . . . . 2224 1 536 . 1 1 87 87 VAL HA H 1 4.15 . . 1 . . . . . . . . 2224 1 537 . 1 1 87 87 VAL HB H 1 1.9 . . 1 . . . . . . . . 2224 1 538 . 1 1 87 87 VAL HG11 H 1 .72 . . 2 . . . . . . . . 2224 1 539 . 1 1 87 87 VAL HG12 H 1 .72 . . 2 . . . . . . . . 2224 1 540 . 1 1 87 87 VAL HG13 H 1 .72 . . 2 . . . . . . . . 2224 1 541 . 1 1 87 87 VAL HG21 H 1 .83 . . 2 . . . . . . . . 2224 1 542 . 1 1 87 87 VAL HG22 H 1 .83 . . 2 . . . . . . . . 2224 1 543 . 1 1 87 87 VAL HG23 H 1 .83 . . 2 . . . . . . . . 2224 1 544 . 1 1 88 88 LYS H H 1 7.85 . . 1 . . . . . . . . 2224 1 545 . 1 1 88 88 LYS HA H 1 4.16 . . 1 . . . . . . . . 2224 1 546 . 1 1 88 88 LYS HB2 H 1 1.64 . . 1 . . . . . . . . 2224 1 547 . 1 1 88 88 LYS HB3 H 1 1.64 . . 1 . . . . . . . . 2224 1 548 . 1 1 88 88 LYS HG2 H 1 1.36 . . 1 . . . . . . . . 2224 1 549 . 1 1 88 88 LYS HG3 H 1 1.36 . . 1 . . . . . . . . 2224 1 550 . 1 1 88 88 LYS HD2 H 1 1.78 . . 1 . . . . . . . . 2224 1 551 . 1 1 88 88 LYS HD3 H 1 1.78 . . 1 . . . . . . . . 2224 1 552 . 1 1 88 88 LYS HE2 H 1 2.96 . . 1 . . . . . . . . 2224 1 553 . 1 1 88 88 LYS HE3 H 1 2.96 . . 1 . . . . . . . . 2224 1 stop_ save_