data_7258 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7258 _Entry.Title ; Structural characterization and oligomerization of PB1-F2, a pro-apoptotic influenza A virus protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-08-10 _Entry.Accession_date 2006-08-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 K. Bruns . . . 7258 2 N. Studtrucker . . . 7258 3 A. Sharma . . . 7258 4 T. Fossen . . . 7258 5 D. Mitzner . . . 7258 6 V. Wray . . . 7258 7 A. Eissmann . . . 7258 8 U. Tessmer . . . 7258 9 P. Henklein . . . 7258 10 U. Schubert . . . 7258 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7258 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 357 7258 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 2 . . 2007-01-08 . update author 'update the entry citation' 7258 1 . . 2006-10-31 . original author 'original release' 7258 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7289 'Protein PB1-F2 (1-40)' 7258 BMRB 7290 'Protein PB1-F2 (30-70)' 7258 PDB 2HN8 'BMRB Entry Tracking System' 7258 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7258 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17052982 _Citation.Full_citation . _Citation.Title ; Structural characterization and oligomerization of PB1-F2, a pro-apoptotic influenza A virus protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 282 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 353 _Citation.Page_last 363 _Citation.Year 2006 _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 K. Bruns . . . 7258 1 2 N. Studtrucker . . . 7258 1 3 A. Sharma . . . 7258 1 4 T. Fossen . . . 7258 1 5 D. Mitzner . . . 7258 1 6 A. Eissmann . . . 7258 1 7 U. Tessmer . . . 7258 1 8 R. Roder . . . 7258 1 9 P. Henklein . . . 7258 1 10 V. Wray . . . 7258 1 11 U. Schubert . . . 7258 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'pro-apoptotic mitochondrial targeting protein' 7258 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PB1-F2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PB1-F2 _Assembly.Entry_ID 7258 _Assembly.ID 1 _Assembly.Name 'Protein PB1-F2 (50-87)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 7258 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 'Protein PB1-F2 (50-87)' 1 $PB1-F2 . . . native . . . . . 7258 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2HN8 . . . . . . 7258 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID PB1-F2 abbreviation 7258 1 'Protein PB1-F2 (50-87)' system 7258 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PB1-F2 _Entity.Sf_category entity _Entity.Sf_framecode PB1-F2 _Entity.Entry_ID 7258 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Protein PB1-F2 (50-87)' _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 ; VMPKQIVYWKQWLSLRNPIL VFLKTRVLKRWRLFSKHE ; _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 38 _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 . _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 BMRB 7290 . PB(30-70) . . . . . 55.26 41 100.00 100.00 4.46e-05 . . . . 7258 1 2 no PDB 2HN8 . "Structural Characterization And Oligomerization Of Pb1-F2, A Pro-Apoptotic Influenza A Virus Protein" . . . . . 100.00 38 100.00 100.00 4.66e-17 . . . . 7258 1 3 no GB ABD62790 . "PB1-F2 protein [Influenza A virus (A/Melbourne/1935(H1N1))]" . . . . . 100.00 90 97.37 97.37 2.08e-16 . . . . 7258 1 4 no GB ABD62851 . "PB1-F2 protein [Influenza A virus (A/Bellamy/1942(H1N1))]" . . . . . 100.00 90 97.37 97.37 1.34e-16 . . . . 7258 1 5 no GB ABO38063 . "PB1-F2 protein [Influenza A virus (A/AA/Marton/1943(H1N1))]" . . . . . 100.00 90 97.37 100.00 5.07e-17 . . . . 7258 1 6 no GB ABO38360 . "PB1-F2 protein [Influenza A virus (A/Henry/1936(H1N1))]" . . . . . 100.00 90 100.00 100.00 1.79e-17 . . . . 7258 1 7 no GB ABO38382 . "PB1-F2 protein [Influenza A virus (A/Iowa/1943(H1N1))]" . . . . . 100.00 90 97.37 100.00 5.07e-17 . . . . 7258 1 8 no REF YP_418248 . "PB1-F2 protein [Influenza A virus (A/Puerto Rico/8/34(H1N1))]" . . . . . 100.00 87 100.00 100.00 1.73e-17 . . . . 7258 1 9 no SP A4GCJ5 . "RecName: Full=Protein PB1-F2 [Influenza A virus (A/Henry/1936(H1N1))]" . . . . . 100.00 90 100.00 100.00 1.79e-17 . . . . 7258 1 10 no SP A4GCL7 . "RecName: Full=Protein PB1-F2 [Influenza A virus (A/Iowa/1943(H1N1))]" . . . . . 100.00 90 97.37 100.00 5.07e-17 . . . . 7258 1 11 no SP A4GCM8 . "RecName: Full=Protein PB1-F2 [Influenza A virus (A/Phila/1935(H1N1))]" . . . . . 100.00 90 97.37 97.37 2.55e-16 . . . . 7258 1 12 no SP P0C0U1 . "RecName: Full=Protein PB1-F2 [Influenza A virus (A/Puerto Rico/8/1934(H1N1))]" . . . . . 100.00 87 100.00 100.00 1.73e-17 . . . . 7258 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID PB1-F2 abbreviation 7258 1 'Protein PB1-F2 (50-87)' common 7258 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 50 VAL . 7258 1 2 51 MET . 7258 1 3 52 PRO . 7258 1 4 53 LYS . 7258 1 5 54 GLN . 7258 1 6 55 ILE . 7258 1 7 56 VAL . 7258 1 8 57 TYR . 7258 1 9 58 TRP . 7258 1 10 59 LYS . 7258 1 11 60 GLN . 7258 1 12 61 TRP . 7258 1 13 62 LEU . 7258 1 14 63 SER . 7258 1 15 64 LEU . 7258 1 16 65 ARG . 7258 1 17 66 ASN . 7258 1 18 67 PRO . 7258 1 19 68 ILE . 7258 1 20 69 LEU . 7258 1 21 70 VAL . 7258 1 22 71 PHE . 7258 1 23 72 LEU . 7258 1 24 73 LYS . 7258 1 25 74 THR . 7258 1 26 75 ARG . 7258 1 27 76 VAL . 7258 1 28 77 LEU . 7258 1 29 78 LYS . 7258 1 30 79 ARG . 7258 1 31 80 TRP . 7258 1 32 81 ARG . 7258 1 33 82 LEU . 7258 1 34 83 PHE . 7258 1 35 84 SER . 7258 1 36 85 LYS . 7258 1 37 86 HIS . 7258 1 38 87 GLU . 7258 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 . VAL 1 1 7258 1 . MET 2 2 7258 1 . PRO 3 3 7258 1 . LYS 4 4 7258 1 . GLN 5 5 7258 1 . ILE 6 6 7258 1 . VAL 7 7 7258 1 . TYR 8 8 7258 1 . TRP 9 9 7258 1 . LYS 10 10 7258 1 . GLN 11 11 7258 1 . TRP 12 12 7258 1 . LEU 13 13 7258 1 . SER 14 14 7258 1 . LEU 15 15 7258 1 . ARG 16 16 7258 1 . ASN 17 17 7258 1 . PRO 18 18 7258 1 . ILE 19 19 7258 1 . LEU 20 20 7258 1 . VAL 21 21 7258 1 . PHE 22 22 7258 1 . LEU 23 23 7258 1 . LYS 24 24 7258 1 . THR 25 25 7258 1 . ARG 26 26 7258 1 . VAL 27 27 7258 1 . LEU 28 28 7258 1 . LYS 29 29 7258 1 . ARG 30 30 7258 1 . TRP 31 31 7258 1 . ARG 32 32 7258 1 . LEU 33 33 7258 1 . PHE 34 34 7258 1 . SER 35 35 7258 1 . LYS 36 36 7258 1 . HIS 37 37 7258 1 . GLU 38 38 7258 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 7258 _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 $PB1-F2 . 11320 . . 'Influenzavirus A Influenza A virus' 'Influenza A virus' . . Viruses . 'Influenzavirus A' 'Influenza A virus' . . . . . . . . . . . . . . . . . . . . . 7258 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 7258 _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 $PB1-F2 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7258 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7258 _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 'Protein PB1-F2 (50-87)' . . . 1 $PB1-F2 . . 2 . . mM . . . . 7258 1 2 H2O . . . . . . . 50 . . % . . . . 7258 1 3 TFE-d2 . . . . . . . 50 . . % . . . . 7258 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 7258 _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 'ionic strength' 0 . mM 7258 1 pH 3 . pH 7258 1 pressure 1 . atm 7258 1 temperature 300 . K 7258 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 7258 _Software.ID 1 _Software.Name CNS _Software.Version 1.0 _Software.Details ; A.T.Brunger, P.D.Adams, G.M.Clore, W.L.Delano, P.Gros, R.W.Grosse-Kunstleve, J.-S.Jiang, J.Kuszewski, M.Nilges, N.S.Pannu, R.J.Read, L.M.Rice, T.Simonson, G.L.Warren. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7258 1 'structure solution' 7258 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 7258 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 7258 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DMX . 600 . . . 7258 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 7258 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7258 1 2 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7258 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 7258 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 7258 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # 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 7258 _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 TFE 'methylene protons' . . . . ppm 3.95 internal direct 1.0 . . . . . . . . . 7258 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 7258 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 7258 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 VAL HA H 1 3.898 . . 1 . . . . 50 . . . 7258 1 2 . 1 1 1 1 VAL HB H 1 2.213 . . 1 . . . . 50 . . . 7258 1 3 . 1 1 1 1 VAL HG11 H 1 0.903 . . 2 . . . . 50 . . . 7258 1 4 . 1 1 1 1 VAL HG12 H 1 0.903 . . 2 . . . . 50 . . . 7258 1 5 . 1 1 1 1 VAL HG13 H 1 0.903 . . 2 . . . . 50 . . . 7258 1 6 . 1 1 1 1 VAL HG21 H 1 1.052 . . 2 . . . . 50 . . . 7258 1 7 . 1 1 1 1 VAL HG22 H 1 1.052 . . 2 . . . . 50 . . . 7258 1 8 . 1 1 1 1 VAL HG23 H 1 1.052 . . 2 . . . . 50 . . . 7258 1 9 . 1 1 2 2 MET H H 1 8.507 . . 1 . . . . 51 . . . 7258 1 10 . 1 1 2 2 MET HA H 1 5.031 . . 1 . . . . 51 . . . 7258 1 11 . 1 1 2 2 MET HB2 H 1 2.038 . . 2 . . . . 51 . . . 7258 1 12 . 1 1 2 2 MET HB3 H 1 2.191 . . 2 . . . . 51 . . . 7258 1 13 . 1 1 2 2 MET HG2 H 1 2.674 . . 1 . . . . 51 . . . 7258 1 14 . 1 1 2 2 MET HG3 H 1 2.674 . . 1 . . . . 51 . . . 7258 1 15 . 1 1 2 2 MET HE1 H 1 2.174 . . 1 . . . . 51 . . . 7258 1 16 . 1 1 2 2 MET HE2 H 1 2.174 . . 1 . . . . 51 . . . 7258 1 17 . 1 1 2 2 MET HE3 H 1 2.174 . . 1 . . . . 51 . . . 7258 1 18 . 1 1 3 3 PRO HA H 1 4.407 . . 1 . . . . 52 . . . 7258 1 19 . 1 1 3 3 PRO HB2 H 1 2.201 . . 2 . . . . 52 . . . 7258 1 20 . 1 1 3 3 PRO HB3 H 1 2.425 . . 2 . . . . 52 . . . 7258 1 21 . 1 1 3 3 PRO HG2 H 1 2.038 . . 2 . . . . 52 . . . 7258 1 22 . 1 1 3 3 PRO HG3 H 1 2.093 . . 2 . . . . 52 . . . 7258 1 23 . 1 1 3 3 PRO HD2 H 1 3.809 . . 2 . . . . 52 . . . 7258 1 24 . 1 1 3 3 PRO HD3 H 1 4.004 . . 2 . . . . 52 . . . 7258 1 25 . 1 1 4 4 LYS H H 1 8.205 . . 1 . . . . 53 . . . 7258 1 26 . 1 1 4 4 LYS HA H 1 4.003 . . 1 . . . . 53 . . . 7258 1 27 . 1 1 4 4 LYS HB2 H 1 1.826 . . 2 . . . . 53 . . . 7258 1 28 . 1 1 4 4 LYS HB3 H 1 1.84 . . 2 . . . . 53 . . . 7258 1 29 . 1 1 4 4 LYS HG2 H 1 1.472 . . 2 . . . . 53 . . . 7258 1 30 . 1 1 4 4 LYS HG3 H 1 1.515 . . 2 . . . . 53 . . . 7258 1 31 . 1 1 4 4 LYS HD2 H 1 1.741 . . 1 . . . . 53 . . . 7258 1 32 . 1 1 4 4 LYS HD3 H 1 1.741 . . 1 . . . . 53 . . . 7258 1 33 . 1 1 4 4 LYS HE2 H 1 3.001 . . 1 . . . . 53 . . . 7258 1 34 . 1 1 4 4 LYS HE3 H 1 3.001 . . 1 . . . . 53 . . . 7258 1 35 . 1 1 4 4 LYS HZ1 H 1 7.629 . . 1 . . . . 53 . . . 7258 1 36 . 1 1 4 4 LYS HZ2 H 1 7.629 . . 1 . . . . 53 . . . 7258 1 37 . 1 1 4 4 LYS HZ3 H 1 7.629 . . 1 . . . . 53 . . . 7258 1 38 . 1 1 5 5 GLN H H 1 8.333 . . 1 . . . . 54 . . . 7258 1 39 . 1 1 5 5 GLN HA H 1 4.084 . . 1 . . . . 54 . . . 7258 1 40 . 1 1 5 5 GLN HB2 H 1 2.05 . . 2 . . . . 54 . . . 7258 1 41 . 1 1 5 5 GLN HB3 H 1 2.231 . . 2 . . . . 54 . . . 7258 1 42 . 1 1 5 5 GLN HG2 H 1 2.303 . . 2 . . . . 54 . . . 7258 1 43 . 1 1 5 5 GLN HG3 H 1 2.43 . . 2 . . . . 54 . . . 7258 1 44 . 1 1 5 5 GLN HE21 H 1 6.629 . . 2 . . . . 54 . . . 7258 1 45 . 1 1 5 5 GLN HE22 H 1 7.143 . . 2 . . . . 54 . . . 7258 1 46 . 1 1 6 6 ILE H H 1 7.375 . . 1 . . . . 55 . . . 7258 1 47 . 1 1 6 6 ILE HA H 1 4.03 . . 1 . . . . 55 . . . 7258 1 48 . 1 1 6 6 ILE HB H 1 2.119 . . 1 . . . . 55 . . . 7258 1 49 . 1 1 6 6 ILE HG12 H 1 1.317 . . 2 . . . . 55 . . . 7258 1 50 . 1 1 6 6 ILE HG13 H 1 1.652 . . 2 . . . . 55 . . . 7258 1 51 . 1 1 6 6 ILE HG21 H 1 1.055 . . 1 . . . . 55 . . . 7258 1 52 . 1 1 6 6 ILE HG22 H 1 1.055 . . 1 . . . . 55 . . . 7258 1 53 . 1 1 6 6 ILE HG23 H 1 1.055 . . 1 . . . . 55 . . . 7258 1 54 . 1 1 6 6 ILE HD11 H 1 0.925 . . 1 . . . . 55 . . . 7258 1 55 . 1 1 6 6 ILE HD12 H 1 0.925 . . 1 . . . . 55 . . . 7258 1 56 . 1 1 6 6 ILE HD13 H 1 0.925 . . 1 . . . . 55 . . . 7258 1 57 . 1 1 7 7 VAL H H 1 7.65 . . 1 . . . . 56 . . . 7258 1 58 . 1 1 7 7 VAL HA H 1 3.66 . . 1 . . . . 56 . . . 7258 1 59 . 1 1 7 7 VAL HB H 1 2.143 . . 1 . . . . 56 . . . 7258 1 60 . 1 1 7 7 VAL HG11 H 1 0.939 . . 2 . . . . 56 . . . 7258 1 61 . 1 1 7 7 VAL HG12 H 1 0.939 . . 2 . . . . 56 . . . 7258 1 62 . 1 1 7 7 VAL HG13 H 1 0.939 . . 2 . . . . 56 . . . 7258 1 63 . 1 1 7 7 VAL HG21 H 1 1.046 . . 2 . . . . 56 . . . 7258 1 64 . 1 1 7 7 VAL HG22 H 1 1.046 . . 2 . . . . 56 . . . 7258 1 65 . 1 1 7 7 VAL HG23 H 1 1.046 . . 2 . . . . 56 . . . 7258 1 66 . 1 1 8 8 TYR H H 1 7.994 . . 1 . . . . 57 . . . 7258 1 67 . 1 1 8 8 TYR HA H 1 4.281 . . 1 . . . . 57 . . . 7258 1 68 . 1 1 8 8 TYR HB2 H 1 3.079 . . 1 . . . . 57 . . . 7258 1 69 . 1 1 8 8 TYR HB3 H 1 3.079 . . 1 . . . . 57 . . . 7258 1 70 . 1 1 8 8 TYR HD1 H 1 6.88 . . 1 . . . . 57 . . . 7258 1 71 . 1 1 8 8 TYR HD2 H 1 6.88 . . 1 . . . . 57 . . . 7258 1 72 . 1 1 8 8 TYR HE1 H 1 6.557 . . 1 . . . . 57 . . . 7258 1 73 . 1 1 8 8 TYR HE2 H 1 6.557 . . 1 . . . . 57 . . . 7258 1 74 . 1 1 9 9 TRP H H 1 8.228 . . 1 . . . . 58 . . . 7258 1 75 . 1 1 9 9 TRP HA H 1 4.642 . . 1 . . . . 58 . . . 7258 1 76 . 1 1 9 9 TRP HB2 H 1 3.499 . . 1 . . . . 58 . . . 7258 1 77 . 1 1 9 9 TRP HB3 H 1 3.499 . . 1 . . . . 58 . . . 7258 1 78 . 1 1 9 9 TRP HD1 H 1 7.267 . . 1 . . . . 58 . . . 7258 1 79 . 1 1 9 9 TRP HE1 H 1 9.614 . . 1 . . . . 58 . . . 7258 1 80 . 1 1 9 9 TRP HE3 H 1 7.599 . . 1 . . . . 58 . . . 7258 1 81 . 1 1 9 9 TRP HZ2 H 1 7.44 . . 1 . . . . 58 . . . 7258 1 82 . 1 1 9 9 TRP HZ3 H 1 6.676 . . 1 . . . . 58 . . . 7258 1 83 . 1 1 9 9 TRP HH2 H 1 7.102 . . 1 . . . . 58 . . . 7258 1 84 . 1 1 10 10 LYS H H 1 8.614 . . 1 . . . . 59 . . . 7258 1 85 . 1 1 10 10 LYS HA H 1 3.987 . . 1 . . . . 59 . . . 7258 1 86 . 1 1 10 10 LYS HB2 H 1 1.945 . . 2 . . . . 59 . . . 7258 1 87 . 1 1 10 10 LYS HB3 H 1 2.06 . . 2 . . . . 59 . . . 7258 1 88 . 1 1 10 10 LYS HG2 H 1 1.491 . . 1 . . . . 59 . . . 7258 1 89 . 1 1 10 10 LYS HG3 H 1 1.491 . . 1 . . . . 59 . . . 7258 1 90 . 1 1 10 10 LYS HD2 H 1 1.715 . . 1 . . . . 59 . . . 7258 1 91 . 1 1 10 10 LYS HD3 H 1 1.715 . . 1 . . . . 59 . . . 7258 1 92 . 1 1 10 10 LYS HE2 H 1 3.003 . . 1 . . . . 59 . . . 7258 1 93 . 1 1 10 10 LYS HE3 H 1 3.003 . . 1 . . . . 59 . . . 7258 1 94 . 1 1 10 10 LYS HZ1 H 1 7.615 . . 1 . . . . 59 . . . 7258 1 95 . 1 1 10 10 LYS HZ2 H 1 7.615 . . 1 . . . . 59 . . . 7258 1 96 . 1 1 10 10 LYS HZ3 H 1 7.615 . . 1 . . . . 59 . . . 7258 1 97 . 1 1 11 11 GLN H H 1 8.319 . . 1 . . . . 60 . . . 7258 1 98 . 1 1 11 11 GLN HA H 1 4.045 . . 1 . . . . 60 . . . 7258 1 99 . 1 1 11 11 GLN HB2 H 1 2.1 . . 2 . . . . 60 . . . 7258 1 100 . 1 1 11 11 GLN HB3 H 1 2.125 . . 2 . . . . 60 . . . 7258 1 101 . 1 1 11 11 GLN HG2 H 1 2.324 . . 2 . . . . 60 . . . 7258 1 102 . 1 1 11 11 GLN HG3 H 1 2.522 . . 2 . . . . 60 . . . 7258 1 103 . 1 1 11 11 GLN HE21 H 1 6.453 . . 2 . . . . 60 . . . 7258 1 104 . 1 1 11 11 GLN HE22 H 1 6.816 . . 2 . . . . 60 . . . 7258 1 105 . 1 1 12 12 TRP H H 1 8.538 . . 1 . . . . 61 . . . 7258 1 106 . 1 1 12 12 TRP HA H 1 4.166 . . 1 . . . . 61 . . . 7258 1 107 . 1 1 12 12 TRP HB2 H 1 3.113 . . 2 . . . . 61 . . . 7258 1 108 . 1 1 12 12 TRP HB3 H 1 3.487 . . 2 . . . . 61 . . . 7258 1 109 . 1 1 12 12 TRP HD1 H 1 7.014 . . 1 . . . . 61 . . . 7258 1 110 . 1 1 12 12 TRP HE1 H 1 9.614 . . 1 . . . . 61 . . . 7258 1 111 . 1 1 12 12 TRP HE3 H 1 7.471 . . 1 . . . . 61 . . . 7258 1 112 . 1 1 12 12 TRP HZ2 H 1 7.459 . . 1 . . . . 61 . . . 7258 1 113 . 1 1 12 12 TRP HZ3 H 1 7.085 . . 1 . . . . 61 . . . 7258 1 114 . 1 1 12 12 TRP HH2 H 1 7.22 . . 1 . . . . 61 . . . 7258 1 115 . 1 1 13 13 LEU H H 1 8.642 . . 1 . . . . 62 . . . 7258 1 116 . 1 1 13 13 LEU HA H 1 3.897 . . 1 . . . . 62 . . . 7258 1 117 . 1 1 13 13 LEU HB2 H 1 1.851 . . 2 . . . . 62 . . . 7258 1 118 . 1 1 13 13 LEU HB3 H 1 1.862 . . 2 . . . . 62 . . . 7258 1 119 . 1 1 13 13 LEU HG H 1 1.493 . . 1 . . . . 62 . . . 7258 1 120 . 1 1 13 13 LEU HD11 H 1 0.837 . . 2 . . . . 62 . . . 7258 1 121 . 1 1 13 13 LEU HD12 H 1 0.837 . . 2 . . . . 62 . . . 7258 1 122 . 1 1 13 13 LEU HD13 H 1 0.837 . . 2 . . . . 62 . . . 7258 1 123 . 1 1 13 13 LEU HD21 H 1 0.912 . . 2 . . . . 62 . . . 7258 1 124 . 1 1 13 13 LEU HD22 H 1 0.912 . . 2 . . . . 62 . . . 7258 1 125 . 1 1 13 13 LEU HD23 H 1 0.912 . . 2 . . . . 62 . . . 7258 1 126 . 1 1 14 14 SER H H 1 7.877 . . 1 . . . . 63 . . . 7258 1 127 . 1 1 14 14 SER HA H 1 4.26 . . 1 . . . . 63 . . . 7258 1 128 . 1 1 14 14 SER HB2 H 1 3.962 . . 1 . . . . 63 . . . 7258 1 129 . 1 1 14 14 SER HB3 H 1 4.072 . . 1 . . . . 63 . . . 7258 1 130 . 1 1 15 15 LEU H H 1 7.532 . . 1 . . . . 64 . . . 7258 1 131 . 1 1 15 15 LEU HA H 1 4.235 . . 1 . . . . 64 . . . 7258 1 132 . 1 1 15 15 LEU HB2 H 1 1.699 . . 2 . . . . 64 . . . 7258 1 133 . 1 1 15 15 LEU HB3 H 1 1.794 . . 2 . . . . 64 . . . 7258 1 134 . 1 1 15 15 LEU HG H 1 1.507 . . 1 . . . . 64 . . . 7258 1 135 . 1 1 15 15 LEU HD11 H 1 0.855 . . 2 . . . . 64 . . . 7258 1 136 . 1 1 15 15 LEU HD12 H 1 0.855 . . 2 . . . . 64 . . . 7258 1 137 . 1 1 15 15 LEU HD13 H 1 0.855 . . 2 . . . . 64 . . . 7258 1 138 . 1 1 15 15 LEU HD21 H 1 0.94 . . 2 . . . . 64 . . . 7258 1 139 . 1 1 15 15 LEU HD22 H 1 0.94 . . 2 . . . . 64 . . . 7258 1 140 . 1 1 15 15 LEU HD23 H 1 0.94 . . 2 . . . . 64 . . . 7258 1 141 . 1 1 16 16 ARG H H 1 7.498 . . 1 . . . . 65 . . . 7258 1 142 . 1 1 16 16 ARG HA H 1 4.146 . . 1 . . . . 65 . . . 7258 1 143 . 1 1 16 16 ARG HB2 H 1 1.558 . . 2 . . . . 65 . . . 7258 1 144 . 1 1 16 16 ARG HB3 H 1 1.733 . . 2 . . . . 65 . . . 7258 1 145 . 1 1 16 16 ARG HG2 H 1 1.41 . . 1 . . . . 65 . . . 7258 1 146 . 1 1 16 16 ARG HG3 H 1 1.41 . . 1 . . . . 65 . . . 7258 1 147 . 1 1 16 16 ARG HD2 H 1 2.709 . . 2 . . . . 65 . . . 7258 1 148 . 1 1 16 16 ARG HD3 H 1 2.758 . . 2 . . . . 65 . . . 7258 1 149 . 1 1 16 16 ARG HH11 H 1 6.798 . . 1 . . . . 65 . . . 7258 1 150 . 1 1 16 16 ARG HH12 H 1 6.798 . . 1 . . . . 65 . . . 7258 1 151 . 1 1 16 16 ARG HH21 H 1 6.798 . . 1 . . . . 65 . . . 7258 1 152 . 1 1 16 16 ARG HH22 H 1 6.798 . . 1 . . . . 65 . . . 7258 1 153 . 1 1 17 17 ASN H H 1 7.591 . . 1 . . . . 66 . . . 7258 1 154 . 1 1 17 17 ASN HA H 1 4.859 . . 1 . . . . 66 . . . 7258 1 155 . 1 1 17 17 ASN HB2 H 1 2.856 . . 2 . . . . 66 . . . 7258 1 156 . 1 1 17 17 ASN HB3 H 1 2.95 . . 2 . . . . 66 . . . 7258 1 157 . 1 1 17 17 ASN HD21 H 1 6.29 . . 2 . . . . 66 . . . 7258 1 158 . 1 1 17 17 ASN HD22 H 1 7.489 . . 2 . . . . 66 . . . 7258 1 159 . 1 1 18 18 PRO HA H 1 4.29 . . 1 . . . . 67 . . . 7258 1 160 . 1 1 18 18 PRO HB2 H 1 2.069 . . 2 . . . . 67 . . . 7258 1 161 . 1 1 18 18 PRO HB3 H 1 2.341 . . 2 . . . . 67 . . . 7258 1 162 . 1 1 18 18 PRO HG2 H 1 1.946 . . 1 . . . . 67 . . . 7258 1 163 . 1 1 18 18 PRO HG3 H 1 1.946 . . 1 . . . . 67 . . . 7258 1 164 . 1 1 18 18 PRO HD2 H 1 3.815 . . 2 . . . . 67 . . . 7258 1 165 . 1 1 18 18 PRO HD3 H 1 3.884 . . 2 . . . . 67 . . . 7258 1 166 . 1 1 19 19 ILE H H 1 7.761 . . 1 . . . . 68 . . . 7258 1 167 . 1 1 19 19 ILE HA H 1 3.914 . . 1 . . . . 68 . . . 7258 1 168 . 1 1 19 19 ILE HB H 1 2.013 . . 1 . . . . 68 . . . 7258 1 169 . 1 1 19 19 ILE HG12 H 1 1.294 . . 2 . . . . 68 . . . 7258 1 170 . 1 1 19 19 ILE HG13 H 1 1.649 . . 2 . . . . 68 . . . 7258 1 171 . 1 1 19 19 ILE HG21 H 1 0.987 . . 1 . . . . 68 . . . 7258 1 172 . 1 1 19 19 ILE HG22 H 1 0.987 . . 1 . . . . 68 . . . 7258 1 173 . 1 1 19 19 ILE HG23 H 1 0.987 . . 1 . . . . 68 . . . 7258 1 174 . 1 1 19 19 ILE HD11 H 1 0.917 . . 1 . . . . 68 . . . 7258 1 175 . 1 1 19 19 ILE HD12 H 1 0.917 . . 1 . . . . 68 . . . 7258 1 176 . 1 1 19 19 ILE HD13 H 1 0.917 . . 1 . . . . 68 . . . 7258 1 177 . 1 1 20 20 LEU H H 1 7.51 . . 1 . . . . 69 . . . 7258 1 178 . 1 1 20 20 LEU HA H 1 4.17 . . 1 . . . . 69 . . . 7258 1 179 . 1 1 20 20 LEU HB2 H 1 1.875 . . 1 . . . . 69 . . . 7258 1 180 . 1 1 20 20 LEU HB3 H 1 1.875 . . 1 . . . . 69 . . . 7258 1 181 . 1 1 20 20 LEU HG H 1 1.735 . . 1 . . . . 69 . . . 7258 1 182 . 1 1 20 20 LEU HD11 H 1 0.943 . . 2 . . . . 69 . . . 7258 1 183 . 1 1 20 20 LEU HD12 H 1 0.943 . . 2 . . . . 69 . . . 7258 1 184 . 1 1 20 20 LEU HD13 H 1 0.943 . . 2 . . . . 69 . . . 7258 1 185 . 1 1 20 20 LEU HD21 H 1 1.029 . . 2 . . . . 69 . . . 7258 1 186 . 1 1 20 20 LEU HD22 H 1 1.029 . . 2 . . . . 69 . . . 7258 1 187 . 1 1 20 20 LEU HD23 H 1 1.029 . . 2 . . . . 69 . . . 7258 1 188 . 1 1 21 21 VAL H H 1 7.778 . . 1 . . . . 70 . . . 7258 1 189 . 1 1 21 21 VAL HA H 1 3.628 . . 1 . . . . 70 . . . 7258 1 190 . 1 1 21 21 VAL HB H 1 2.164 . . 1 . . . . 70 . . . 7258 1 191 . 1 1 21 21 VAL HG11 H 1 0.953 . . 2 . . . . 70 . . . 7258 1 192 . 1 1 21 21 VAL HG12 H 1 0.953 . . 2 . . . . 70 . . . 7258 1 193 . 1 1 21 21 VAL HG13 H 1 0.953 . . 2 . . . . 70 . . . 7258 1 194 . 1 1 21 21 VAL HG21 H 1 1.045 . . 2 . . . . 70 . . . 7258 1 195 . 1 1 21 21 VAL HG22 H 1 1.045 . . 2 . . . . 70 . . . 7258 1 196 . 1 1 21 21 VAL HG23 H 1 1.045 . . 2 . . . . 70 . . . 7258 1 197 . 1 1 22 22 PHE H H 1 8.192 . . 1 . . . . 71 . . . 7258 1 198 . 1 1 22 22 PHE HA H 1 4.274 . . 1 . . . . 71 . . . 7258 1 199 . 1 1 22 22 PHE HB2 H 1 3.335 . . 2 . . . . 71 . . . 7258 1 200 . 1 1 22 22 PHE HB3 H 1 3.417 . . 2 . . . . 71 . . . 7258 1 201 . 1 1 22 22 PHE HD1 H 1 7.248 . . 1 . . . . 71 . . . 7258 1 202 . 1 1 22 22 PHE HD2 H 1 7.248 . . 1 . . . . 71 . . . 7258 1 203 . 1 1 22 22 PHE HE1 H 1 7.315 . . 1 . . . . 71 . . . 7258 1 204 . 1 1 22 22 PHE HE2 H 1 7.315 . . 1 . . . . 71 . . . 7258 1 205 . 1 1 22 22 PHE HZ H 1 7.3 . . 1 . . . . 71 . . . 7258 1 206 . 1 1 23 23 LEU H H 1 8.731 . . 1 . . . . 72 . . . 7258 1 207 . 1 1 23 23 LEU HA H 1 3.99 . . 1 . . . . 72 . . . 7258 1 208 . 1 1 23 23 LEU HB2 H 1 2.015 . . 1 . . . . 72 . . . 7258 1 209 . 1 1 23 23 LEU HB3 H 1 2.015 . . 1 . . . . 72 . . . 7258 1 210 . 1 1 23 23 LEU HG H 1 1.622 . . 1 . . . . 72 . . . 7258 1 211 . 1 1 23 23 LEU HD11 H 1 0.956 . . 1 . . . . 72 . . . 7258 1 212 . 1 1 23 23 LEU HD12 H 1 0.956 . . 1 . . . . 72 . . . 7258 1 213 . 1 1 23 23 LEU HD13 H 1 0.956 . . 1 . . . . 72 . . . 7258 1 214 . 1 1 23 23 LEU HD21 H 1 0.956 . . 1 . . . . 72 . . . 7258 1 215 . 1 1 23 23 LEU HD22 H 1 0.956 . . 1 . . . . 72 . . . 7258 1 216 . 1 1 23 23 LEU HD23 H 1 0.956 . . 1 . . . . 72 . . . 7258 1 217 . 1 1 24 24 LYS H H 1 8.546 . . 1 . . . . 73 . . . 7258 1 218 . 1 1 24 24 LYS HA H 1 3.99 . . 1 . . . . 73 . . . 7258 1 219 . 1 1 24 24 LYS HB2 H 1 1.932 . . 2 . . . . 73 . . . 7258 1 220 . 1 1 24 24 LYS HB3 H 1 2.036 . . 2 . . . . 73 . . . 7258 1 221 . 1 1 24 24 LYS HG2 H 1 1.465 . . 1 . . . . 73 . . . 7258 1 222 . 1 1 24 24 LYS HG3 H 1 1.465 . . 1 . . . . 73 . . . 7258 1 223 . 1 1 24 24 LYS HD2 H 1 1.691 . . 1 . . . . 73 . . . 7258 1 224 . 1 1 24 24 LYS HD3 H 1 1.691 . . 1 . . . . 73 . . . 7258 1 225 . 1 1 24 24 LYS HE2 H 1 2.931 . . 1 . . . . 73 . . . 7258 1 226 . 1 1 24 24 LYS HE3 H 1 2.931 . . 1 . . . . 73 . . . 7258 1 227 . 1 1 24 24 LYS HZ1 H 1 7.625 . . 1 . . . . 73 . . . 7258 1 228 . 1 1 24 24 LYS HZ2 H 1 7.625 . . 1 . . . . 73 . . . 7258 1 229 . 1 1 24 24 LYS HZ3 H 1 7.625 . . 1 . . . . 73 . . . 7258 1 230 . 1 1 25 25 THR H H 1 8.17 . . 1 . . . . 74 . . . 7258 1 231 . 1 1 25 25 THR HA H 1 4.045 . . 1 . . . . 74 . . . 7258 1 232 . 1 1 25 25 THR HB H 1 4.328 . . 1 . . . . 74 . . . 7258 1 233 . 1 1 25 25 THR HG21 H 1 1.365 . . 1 . . . . 74 . . . 7258 1 234 . 1 1 25 25 THR HG22 H 1 1.365 . . 1 . . . . 74 . . . 7258 1 235 . 1 1 25 25 THR HG23 H 1 1.365 . . 1 . . . . 74 . . . 7258 1 236 . 1 1 26 26 ARG H H 1 7.83 . . 1 . . . . 75 . . . 7258 1 237 . 1 1 26 26 ARG HA H 1 4.059 . . 1 . . . . 75 . . . 7258 1 238 . 1 1 26 26 ARG HB2 H 1 1.886 . . 1 . . . . 75 . . . 7258 1 239 . 1 1 26 26 ARG HB3 H 1 1.886 . . 1 . . . . 75 . . . 7258 1 240 . 1 1 26 26 ARG HG2 H 1 1.553 . . 2 . . . . 75 . . . 7258 1 241 . 1 1 26 26 ARG HG3 H 1 1.653 . . 2 . . . . 75 . . . 7258 1 242 . 1 1 26 26 ARG HD2 H 1 2.978 . . 1 . . . . 75 . . . 7258 1 243 . 1 1 26 26 ARG HD3 H 1 2.978 . . 1 . . . . 75 . . . 7258 1 244 . 1 1 26 26 ARG HH11 H 1 6.991 . . 1 . . . . 75 . . . 7258 1 245 . 1 1 26 26 ARG HH12 H 1 6.991 . . 1 . . . . 75 . . . 7258 1 246 . 1 1 26 26 ARG HH21 H 1 6.991 . . 1 . . . . 75 . . . 7258 1 247 . 1 1 26 26 ARG HH22 H 1 6.991 . . 1 . . . . 75 . . . 7258 1 248 . 1 1 27 27 VAL H H 1 7.883 . . 1 . . . . 76 . . . 7258 1 249 . 1 1 27 27 VAL HA H 1 3.698 . . 1 . . . . 76 . . . 7258 1 250 . 1 1 27 27 VAL HB H 1 2.248 . . 1 . . . . 76 . . . 7258 1 251 . 1 1 27 27 VAL HG11 H 1 0.907 . . 2 . . . . 76 . . . 7258 1 252 . 1 1 27 27 VAL HG12 H 1 0.907 . . 2 . . . . 76 . . . 7258 1 253 . 1 1 27 27 VAL HG13 H 1 0.907 . . 2 . . . . 76 . . . 7258 1 254 . 1 1 27 27 VAL HG21 H 1 1.058 . . 2 . . . . 76 . . . 7258 1 255 . 1 1 27 27 VAL HG22 H 1 1.058 . . 2 . . . . 76 . . . 7258 1 256 . 1 1 27 27 VAL HG23 H 1 1.058 . . 2 . . . . 76 . . . 7258 1 257 . 1 1 28 28 LEU H H 1 8.175 . . 1 . . . . 77 . . . 7258 1 258 . 1 1 28 28 LEU HA H 1 4.236 . . 1 . . . . 77 . . . 7258 1 259 . 1 1 28 28 LEU HB2 H 1 1.821 . . 2 . . . . 77 . . . 7258 1 260 . 1 1 28 28 LEU HB3 H 1 1.908 . . 2 . . . . 77 . . . 7258 1 261 . 1 1 28 28 LEU HG H 1 1.699 . . 1 . . . . 77 . . . 7258 1 262 . 1 1 28 28 LEU HD11 H 1 0.908 . . 2 . . . . 77 . . . 7258 1 263 . 1 1 28 28 LEU HD12 H 1 0.908 . . 2 . . . . 77 . . . 7258 1 264 . 1 1 28 28 LEU HD13 H 1 0.908 . . 2 . . . . 77 . . . 7258 1 265 . 1 1 28 28 LEU HD21 H 1 0.96 . . 2 . . . . 77 . . . 7258 1 266 . 1 1 28 28 LEU HD22 H 1 0.96 . . 2 . . . . 77 . . . 7258 1 267 . 1 1 28 28 LEU HD23 H 1 0.96 . . 2 . . . . 77 . . . 7258 1 268 . 1 1 29 29 LYS H H 1 8.082 . . 1 . . . . 78 . . . 7258 1 269 . 1 1 29 29 LYS HA H 1 4.037 . . 1 . . . . 78 . . . 7258 1 270 . 1 1 29 29 LYS HB2 H 1 1.923 . . 2 . . . . 78 . . . 7258 1 271 . 1 1 29 29 LYS HB3 H 1 1.962 . . 2 . . . . 78 . . . 7258 1 272 . 1 1 29 29 LYS HG2 H 1 1.455 . . 1 . . . . 78 . . . 7258 1 273 . 1 1 29 29 LYS HG3 H 1 1.455 . . 1 . . . . 78 . . . 7258 1 274 . 1 1 29 29 LYS HD2 H 1 1.661 . . 2 . . . . 78 . . . 7258 1 275 . 1 1 29 29 LYS HD3 H 1 1.714 . . 2 . . . . 78 . . . 7258 1 276 . 1 1 29 29 LYS HE2 H 1 2.979 . . 1 . . . . 78 . . . 7258 1 277 . 1 1 29 29 LYS HE3 H 1 2.979 . . 1 . . . . 78 . . . 7258 1 278 . 1 1 30 30 ARG H H 1 7.907 . . 1 . . . . 79 . . . 7258 1 279 . 1 1 30 30 ARG HA H 1 4.091 . . 1 . . . . 79 . . . 7258 1 280 . 1 1 30 30 ARG HB2 H 1 2.002 . . 2 . . . . 79 . . . 7258 1 281 . 1 1 30 30 ARG HB3 H 1 2.038 . . 2 . . . . 79 . . . 7258 1 282 . 1 1 30 30 ARG HG2 H 1 1.64 . . 2 . . . . 79 . . . 7258 1 283 . 1 1 30 30 ARG HG3 H 1 1.755 . . 2 . . . . 79 . . . 7258 1 284 . 1 1 30 30 ARG HD2 H 1 3.148 . . 2 . . . . 79 . . . 7258 1 285 . 1 1 30 30 ARG HD3 H 1 3.177 . . 2 . . . . 79 . . . 7258 1 286 . 1 1 30 30 ARG HH11 H 1 7.148 . . 1 . . . . 79 . . . 7258 1 287 . 1 1 30 30 ARG HH12 H 1 7.148 . . 1 . . . . 79 . . . 7258 1 288 . 1 1 30 30 ARG HH21 H 1 7.148 . . 1 . . . . 79 . . . 7258 1 289 . 1 1 30 30 ARG HH22 H 1 7.148 . . 1 . . . . 79 . . . 7258 1 290 . 1 1 31 31 TRP H H 1 8.479 . . 1 . . . . 80 . . . 7258 1 291 . 1 1 31 31 TRP HA H 1 4.504 . . 1 . . . . 80 . . . 7258 1 292 . 1 1 31 31 TRP HB2 H 1 3.43 . . 2 . . . . 80 . . . 7258 1 293 . 1 1 31 31 TRP HB3 H 1 3.523 . . 2 . . . . 80 . . . 7258 1 294 . 1 1 31 31 TRP HD1 H 1 7.208 . . 1 . . . . 80 . . . 7258 1 295 . 1 1 31 31 TRP HE1 H 1 9.705 . . 1 . . . . 80 . . . 7258 1 296 . 1 1 31 31 TRP HE3 H 1 7.634 . . 1 . . . . 80 . . . 7258 1 297 . 1 1 31 31 TRP HZ2 H 1 7.461 . . 1 . . . . 80 . . . 7258 1 298 . 1 1 31 31 TRP HZ3 H 1 7.061 . . 1 . . . . 80 . . . 7258 1 299 . 1 1 31 31 TRP HH2 H 1 7.194 . . 1 . . . . 80 . . . 7258 1 300 . 1 1 32 32 ARG H H 1 8.49 . . 1 . . . . 81 . . . 7258 1 301 . 1 1 32 32 ARG HA H 1 3.861 . . 1 . . . . 81 . . . 7258 1 302 . 1 1 32 32 ARG HB2 H 1 1.967 . . 2 . . . . 81 . . . 7258 1 303 . 1 1 32 32 ARG HB3 H 1 1.998 . . 2 . . . . 81 . . . 7258 1 304 . 1 1 32 32 ARG HG2 H 1 1.709 . . 2 . . . . 81 . . . 7258 1 305 . 1 1 32 32 ARG HG3 H 1 1.835 . . 2 . . . . 81 . . . 7258 1 306 . 1 1 32 32 ARG HD2 H 1 3.188 . . 1 . . . . 81 . . . 7258 1 307 . 1 1 32 32 ARG HD3 H 1 3.188 . . 1 . . . . 81 . . . 7258 1 308 . 1 1 32 32 ARG HH11 H 1 7.228 . . 1 . . . . 81 . . . 7258 1 309 . 1 1 32 32 ARG HH12 H 1 7.228 . . 1 . . . . 81 . . . 7258 1 310 . 1 1 32 32 ARG HH21 H 1 7.228 . . 1 . . . . 81 . . . 7258 1 311 . 1 1 32 32 ARG HH22 H 1 7.228 . . 1 . . . . 81 . . . 7258 1 312 . 1 1 33 33 LEU H H 1 7.948 . . 1 . . . . 82 . . . 7258 1 313 . 1 1 33 33 LEU HA H 1 4.143 . . 1 . . . . 82 . . . 7258 1 314 . 1 1 33 33 LEU HB2 H 1 1.664 . . 2 . . . . 82 . . . 7258 1 315 . 1 1 33 33 LEU HB3 H 1 1.746 . . 2 . . . . 82 . . . 7258 1 316 . 1 1 33 33 LEU HG H 1 1.479 . . 1 . . . . 82 . . . 7258 1 317 . 1 1 33 33 LEU HD11 H 1 0.849 . . 2 . . . . 82 . . . 7258 1 318 . 1 1 33 33 LEU HD12 H 1 0.849 . . 2 . . . . 82 . . . 7258 1 319 . 1 1 33 33 LEU HD13 H 1 0.849 . . 2 . . . . 82 . . . 7258 1 320 . 1 1 33 33 LEU HD21 H 1 0.898 . . 2 . . . . 82 . . . 7258 1 321 . 1 1 33 33 LEU HD22 H 1 0.898 . . 2 . . . . 82 . . . 7258 1 322 . 1 1 33 33 LEU HD23 H 1 0.898 . . 2 . . . . 82 . . . 7258 1 323 . 1 1 34 34 PHE H H 1 8.21 . . 1 . . . . 83 . . . 7258 1 324 . 1 1 34 34 PHE HA H 1 4.493 . . 1 . . . . 83 . . . 7258 1 325 . 1 1 34 34 PHE HB2 H 1 3.125 . . 2 . . . . 83 . . . 7258 1 326 . 1 1 34 34 PHE HB3 H 1 3.219 . . 1 . . . . 83 . . . 7258 1 327 . 1 1 34 34 PHE HD1 H 1 7.272 . . 1 . . . . 83 . . . 7258 1 328 . 1 1 34 34 PHE HD2 H 1 7.272 . . 1 . . . . 83 . . . 7258 1 329 . 1 1 34 34 PHE HE1 H 1 7.335 . . 1 . . . . 83 . . . 7258 1 330 . 1 1 34 34 PHE HE2 H 1 7.335 . . 1 . . . . 83 . . . 7258 1 331 . 1 1 34 34 PHE HZ H 1 7.3 . . 1 . . . . 83 . . . 7258 1 332 . 1 1 35 35 SER H H 1 8.023 . . 1 . . . . 84 . . . 7258 1 333 . 1 1 35 35 SER HA H 1 4.176 . . 1 . . . . 84 . . . 7258 1 334 . 1 1 35 35 SER HB2 H 1 3.523 . . 2 . . . . 84 . . . 7258 1 335 . 1 1 35 35 SER HB3 H 1 3.756 . . 2 . . . . 84 . . . 7258 1 336 . 1 1 36 36 LYS H H 1 7.703 . . 1 . . . . 85 . . . 7258 1 337 . 1 1 36 36 LYS HA H 1 4.272 . . 1 . . . . 85 . . . 7258 1 338 . 1 1 36 36 LYS HB2 H 1 1.823 . . 2 . . . . 85 . . . 7258 1 339 . 1 1 36 36 LYS HB3 H 1 1.882 . . 2 . . . . 85 . . . 7258 1 340 . 1 1 36 36 LYS HG2 H 1 1.453 . . 1 . . . . 85 . . . 7258 1 341 . 1 1 36 36 LYS HG3 H 1 1.453 . . 1 . . . . 85 . . . 7258 1 342 . 1 1 36 36 LYS HD2 H 1 1.693 . . 1 . . . . 85 . . . 7258 1 343 . 1 1 36 36 LYS HD3 H 1 1.693 . . 1 . . . . 85 . . . 7258 1 344 . 1 1 36 36 LYS HE2 H 1 3.002 . . 1 . . . . 85 . . . 7258 1 345 . 1 1 36 36 LYS HE3 H 1 3.002 . . 1 . . . . 85 . . . 7258 1 346 . 1 1 37 37 HIS H H 1 8.129 . . 1 . . . . 86 . . . 7258 1 347 . 1 1 37 37 HIS HA H 1 4.68 . . 1 . . . . 86 . . . 7258 1 348 . 1 1 37 37 HIS HB2 H 1 3.181 . . 2 . . . . 86 . . . 7258 1 349 . 1 1 37 37 HIS HB3 H 1 3.335 . . 2 . . . . 86 . . . 7258 1 350 . 1 1 37 37 HIS HD2 H 1 7.301 . . 1 . . . . 86 . . . 7258 1 351 . 1 1 37 37 HIS HE1 H 1 8.481 . . 1 . . . . 86 . . . 7258 1 352 . 1 1 38 38 GLU H H 1 8.087 . . 1 . . . . 87 . . . 7258 1 353 . 1 1 38 38 GLU HA H 1 4.399 . . 1 . . . . 87 . . . 7258 1 354 . 1 1 38 38 GLU HB2 H 1 1.971 . . 2 . . . . 87 . . . 7258 1 355 . 1 1 38 38 GLU HB3 H 1 2.201 . . 2 . . . . 87 . . . 7258 1 356 . 1 1 38 38 GLU HG2 H 1 2.445 . . 1 . . . . 87 . . . 7258 1 357 . 1 1 38 38 GLU HG3 H 1 2.445 . . 1 . . . . 87 . . . 7258 1 stop_ save_