data_7290 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7290 _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 2006-09-06 _Entry.Accession_date 2006-09-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'Assigned 1H chemical shifts of the central fragment PB(30-70) of the PB1-F2 protein' _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 Karsten Bruns . . . 7290 2 Nicole Studtrucker . . . 7290 3 Alok Sharma . . . 7290 4 Torgils Fossen . . . 7290 5 David Mitzner . . . 7290 6 Andre Eissmann . . . 7290 7 Uwe Tessmer . . . 7290 8 Peter Henklein . . . 7290 9 Victor Wray . . . 7290 10 Ulrich Schubert . . . 7290 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Helmholtz Centre for Infection Research, Division of Structural Biology' . 7290 . . 'University of Erlangen-Nuremberg, Institute for Clinical and Molecular Virology' . 7290 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7290 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 351 7290 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 2006-09-06 update author 'update the entry citation' 7290 1 . . 2006-10-31 2006-09-06 original author 'original release' 7290 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7258 'NMR data of the C-terminal fragment PB(50-87) of the PB1-F2 protein' 7290 BMRB 7289 'NMR data of the N-terminal fragment PB(1-40) of the PB1-F2 protein' 7290 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7290 _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 Karsten Bruns . . . 7290 1 2 Nicole Studtrucker . . . 7290 1 3 Alok Sharma . . . 7290 1 4 Torgils Fossen . . . 7290 1 5 David Mitzner . . . 7290 1 6 Andre Eissmann . . . 7290 1 7 Uwe Tessmer . . . 7290 1 8 R. Roder . . . 7290 1 9 Peter Henklein . . . 7290 1 10 Victor Wray . . . 7290 1 11 Ulrich Schubert . . . 7290 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Influenza A virus' 7290 1 PB1-F2 7290 1 'Structure and oligomerization' 7290 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7290 _Assembly.ID 1 _Assembly.Name PB(30-70) _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state unknown _Assembly.Molecular_mass 4978 _Assembly.Enzyme_commission_number . _Assembly.Details 'Central fragment of influenza A virus PB1-F2 protein' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7290 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 PB(30-70) 1 $PB(30-70) . . yes native no no . . . 7290 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 . NCBI 211044 . . . . 'source organism' 'Influenza A virus (A/Puerto Rico/8/34(H1N1))' 7290 1 . NCBI P0C0U1 . . . . 'PB1-F2 protein' 'PB1-F2 protein of Influenza A virus (A/Puerto Rico/8/34(H1N1))' 7290 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PB(30-70) _Entity.Sf_category entity _Entity.Sf_framecode PB(30-70) _Entity.Entry_ID 7290 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PB(30-70) _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 ; LEHRNSTRLMGHCQKTMNQV VMPKQIVYWKQWLSLRNPIL V ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Central fragment PB(30-70) of the PB1-F2 protein comprising amino acid residues Leu-30 to Val-70' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 41 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4978 _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 7258 . PB1-F2 . . . . . 51.22 38 100.00 100.00 4.82e-05 . . . . 7290 1 2 no PDB 2HN8 . "Structural Characterization And Oligomerization Of Pb1-F2, A Pro-Apoptotic Influenza A Virus Protein" . . . . . 51.22 38 100.00 100.00 4.82e-05 . . . . 7290 1 3 no GB ABD62790 . "PB1-F2 protein [Influenza A virus (A/Melbourne/1935(H1N1))]" . . . . . 100.00 90 100.00 100.00 1.17e-20 . . . . 7290 1 4 no GB ABD77805 . "PB1-F2 protein [Influenza A virus (A/Wilson-Smith/1933(H1N1))]" . . . . . 100.00 90 97.56 97.56 1.08e-19 . . . . 7290 1 5 no GB ABF47964 . "PB1-F2 protein [Influenza A virus (A/WSN/1933 TS61(H1N1))]" . . . . . 100.00 90 97.56 97.56 1.29e-19 . . . . 7290 1 6 no GB ABM22200 . "PB1-F2 protein [Influenza A virus (A/Memphis/42/1983(H1N1))]" . . . . . 68.29 57 100.00 100.00 6.02e-11 . . . . 7290 1 7 no GB ABO38063 . "PB1-F2 protein [Influenza A virus (A/AA/Marton/1943(H1N1))]" . . . . . 100.00 90 97.56 97.56 1.25e-19 . . . . 7290 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 1.10e-20 . . . . 7290 1 9 no SP A4GCJ5 . "RecName: Full=Protein PB1-F2 [Influenza A virus (A/Henry/1936(H1N1))]" . . . . . 100.00 90 97.56 97.56 3.15e-19 . . . . 7290 1 10 no SP A4GCL7 . "RecName: Full=Protein PB1-F2 [Influenza A virus (A/Iowa/1943(H1N1))]" . . . . . 100.00 90 97.56 97.56 1.25e-19 . . . . 7290 1 11 no SP A4GCM8 . "RecName: Full=Protein PB1-F2 [Influenza A virus (A/Phila/1935(H1N1))]" . . . . . 100.00 90 100.00 100.00 1.29e-20 . . . . 7290 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 1.10e-20 . . . . 7290 1 13 no SP Q20MH0 . "RecName: Full=Protein PB1-F2 [Influenza A virus (A/Wilson-Smith/1933(H1N1))]" . . . . . 100.00 90 97.56 97.56 1.08e-19 . . . . 7290 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 30 LEU . 7290 1 2 31 GLU . 7290 1 3 32 HIS . 7290 1 4 33 ARG . 7290 1 5 34 ASN . 7290 1 6 35 SER . 7290 1 7 36 THR . 7290 1 8 37 ARG . 7290 1 9 38 LEU . 7290 1 10 39 MET . 7290 1 11 40 GLY . 7290 1 12 41 HIS . 7290 1 13 42 CYS . 7290 1 14 43 GLN . 7290 1 15 44 LYS . 7290 1 16 45 THR . 7290 1 17 46 MET . 7290 1 18 47 ASN . 7290 1 19 48 GLN . 7290 1 20 49 VAL . 7290 1 21 50 VAL . 7290 1 22 51 MET . 7290 1 23 52 PRO . 7290 1 24 53 LYS . 7290 1 25 54 GLN . 7290 1 26 55 ILE . 7290 1 27 56 VAL . 7290 1 28 57 TYR . 7290 1 29 58 TRP . 7290 1 30 59 LYS . 7290 1 31 60 GLN . 7290 1 32 61 TRP . 7290 1 33 62 LEU . 7290 1 34 63 SER . 7290 1 35 64 LEU . 7290 1 36 65 ARG . 7290 1 37 66 ASN . 7290 1 38 67 PRO . 7290 1 39 68 ILE . 7290 1 40 69 LEU . 7290 1 41 70 VAL . 7290 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 . LEU 1 1 7290 1 . GLU 2 2 7290 1 . HIS 3 3 7290 1 . ARG 4 4 7290 1 . ASN 5 5 7290 1 . SER 6 6 7290 1 . THR 7 7 7290 1 . ARG 8 8 7290 1 . LEU 9 9 7290 1 . MET 10 10 7290 1 . GLY 11 11 7290 1 . HIS 12 12 7290 1 . CYS 13 13 7290 1 . GLN 14 14 7290 1 . LYS 15 15 7290 1 . THR 16 16 7290 1 . MET 17 17 7290 1 . ASN 18 18 7290 1 . GLN 19 19 7290 1 . VAL 20 20 7290 1 . VAL 21 21 7290 1 . MET 22 22 7290 1 . PRO 23 23 7290 1 . LYS 24 24 7290 1 . GLN 25 25 7290 1 . ILE 26 26 7290 1 . VAL 27 27 7290 1 . TYR 28 28 7290 1 . TRP 29 29 7290 1 . LYS 30 30 7290 1 . GLN 31 31 7290 1 . TRP 32 32 7290 1 . LEU 33 33 7290 1 . SER 34 34 7290 1 . LEU 35 35 7290 1 . ARG 36 36 7290 1 . ASN 37 37 7290 1 . PRO 38 38 7290 1 . ILE 39 39 7290 1 . LEU 40 40 7290 1 . VAL 41 41 7290 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 7290 _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 $PB(30-70) . 211044 virus no . 'Influenza A virus' . . Viruses 'Not applicable' 'Influenzavirus A' 'Influenza A virus' 'A/Puerto Rico/8/34(H1N1)' . . . . . . . . . . . . . . . . . . . . 7290 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 7290 _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 $PB(30-70) . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7290 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7290 _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 PB(30-70) . . . 1 $PB(30-70) . protein 2 . . mM . . . . 7290 1 2 Trifluoroethanol . . . . . . solvent 50 . . '% v/v' . . . . 7290 1 3 water . . . . . . solvent 50 . . '% v/v' . . . . 7290 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7290 _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 0 mM 7290 1 pH 3 0 pH 7290 1 pressure 1 0 atm 7290 1 temperature 300 0 K 7290 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7290 _Software.ID 1 _Software.Name XWIN-NMR _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker 'Bruker BioSpin GmbH, Silberstreifen 4, 76287 Rheinstetten, Germany' http://www.bruker-biospin.de/NMR/index.html 7290 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600_MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600_MHz_spectrometer _NMR_spectrometer.Entry_ID 7290 _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_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7290 _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 '1D 1H' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600_MHz_spectrometer . . . . . . . . . . . . . . . . 7290 1 2 '2D 1H,1H COSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600_MHz_spectrometer . . . . . . . . . . . . . . . . 7290 1 3 '2D 1H,1H TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600_MHz_spectrometer . . . . . . . . . . . . . . . . 7290 1 4 '2D 1H,1H NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600_MHz_spectrometer . . . . . . . . . . . . . . . . 7290 1 stop_ save_ save_1D_1H _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1D_1H _NMR_spec_expt.Entry_ID 7290 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1D 1H' _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 1 _NMR_spec_expt.NMR_spectrometer_label $600_MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_1H_1H_COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H_1H_COSY _NMR_spec_expt.Entry_ID 7290 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H,1H COSY' _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 1 _NMR_spec_expt.NMR_spectrometer_label $600_MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_1H_1H_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H_1H_TOCSY _NMR_spec_expt.Entry_ID 7290 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H,1H 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 1 _NMR_spec_expt.NMR_spectrometer_label $600_MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_1H_1H_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H_1H_NOESY _NMR_spec_expt.Entry_ID 7290 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 1H,1H 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 1 _NMR_spec_expt.NMR_spectrometer_label $600_MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $software_1 _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_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7290 _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 Trifluoroethanol 'methylene protons' . . . . ppm 3.95 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7290 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7290 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0 _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 1H chemical shifts' _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 '1D 1H' 1 $sample_1 isotropic 7290 1 2 '2D 1H,1H COSY' 1 $sample_1 isotropic 7290 1 3 '2D 1H,1H TOCSY' 1 $sample_1 isotropic 7290 1 4 '2D 1H,1H NOESY' 1 $sample_1 isotropic 7290 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 7290 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 LEU HA H 1 4.047 0 . 1 . . . . 30 LEU HA . 7290 1 2 . 1 1 1 1 LEU HB2 H 1 1.71 0 . 2 . . . . 30 LEU HB2 . 7290 1 3 . 1 1 1 1 LEU HB3 H 1 1.746 0 . 2 . . . . 30 LEU HB3 . 7290 1 4 . 1 1 1 1 LEU HG H 1 1.645 0 . 1 . . . . 30 LEU HG . 7290 1 5 . 1 1 1 1 LEU HD11 H 1 0.897 0 . 2 . . . . 30 LEU HD1 . 7290 1 6 . 1 1 1 1 LEU HD12 H 1 0.897 0 . 2 . . . . 30 LEU HD1 . 7290 1 7 . 1 1 1 1 LEU HD13 H 1 0.897 0 . 2 . . . . 30 LEU HD1 . 7290 1 8 . 1 1 1 1 LEU HD21 H 1 0.972 0 . 2 . . . . 30 LEU HD2 . 7290 1 9 . 1 1 1 1 LEU HD22 H 1 0.972 0 . 2 . . . . 30 LEU HD2 . 7290 1 10 . 1 1 1 1 LEU HD23 H 1 0.972 0 . 2 . . . . 30 LEU HD2 . 7290 1 11 . 1 1 2 2 GLU H H 1 8.591 0 . 1 . . . . 31 GLU H . 7290 1 12 . 1 1 2 2 GLU HA H 1 4.459 0 . 1 . . . . 31 GLU HA . 7290 1 13 . 1 1 2 2 GLU HB2 H 1 2.025 0 . 2 . . . . 31 GLU HB2 . 7290 1 14 . 1 1 2 2 GLU HB3 H 1 2.11 0 . 2 . . . . 31 GLU HB3 . 7290 1 15 . 1 1 2 2 GLU HG2 H 1 2.478 0 . 1 . . . . 31 GLU HG2 . 7290 1 16 . 1 1 2 2 GLU HG3 H 1 2.478 0 . 1 . . . . 31 GLU HG3 . 7290 1 17 . 1 1 3 3 HIS H H 1 8.592 0 . 1 . . . . 32 HIS H . 7290 1 18 . 1 1 3 3 HIS HA H 1 4.766 0 . 1 . . . . 32 HIS HA . 7290 1 19 . 1 1 3 3 HIS HB2 H 1 3.228 0 . 2 . . . . 32 HIS HB2 . 7290 1 20 . 1 1 3 3 HIS HB3 H 1 3.322 0 . 2 . . . . 32 HIS HB3 . 7290 1 21 . 1 1 3 3 HIS HD2 H 1 7.349 0 . 1 . . . . 32 HIS HD2 . 7290 1 22 . 1 1 3 3 HIS HE1 H 1 8.605 0 . 1 . . . . 32 HIS HE1 . 7290 1 23 . 1 1 4 4 ARG H H 1 8.411 0 . 1 . . . . 33 ARG H . 7290 1 24 . 1 1 4 4 ARG HA H 1 4.403 0 . 1 . . . . 33 ARG HA . 7290 1 25 . 1 1 4 4 ARG HB2 H 1 1.818 0 . 2 . . . . 33 ARG HB2 . 7290 1 26 . 1 1 4 4 ARG HB3 H 1 1.904 0 . 2 . . . . 33 ARG HB3 . 7290 1 27 . 1 1 4 4 ARG HG2 H 1 1.69 0 . 1 . . . . 33 ARG HG2 . 7290 1 28 . 1 1 4 4 ARG HG3 H 1 1.69 0 . 1 . . . . 33 ARG HG3 . 7290 1 29 . 1 1 4 4 ARG HD2 H 1 3.241 0 . 1 . . . . 33 ARG HD2 . 7290 1 30 . 1 1 4 4 ARG HD3 H 1 3.241 0 . 1 . . . . 33 ARG HD3 . 7290 1 31 . 1 1 4 4 ARG HE H 1 7.196 0 . 1 . . . . 33 ARG HE . 7290 1 32 . 1 1 4 4 ARG HH11 H 1 6.64 0 . 1 . . . . 33 ARG HH11 . 7290 1 33 . 1 1 4 4 ARG HH12 H 1 6.64 0 . 1 . . . . 33 ARG HH12 . 7290 1 34 . 1 1 4 4 ARG HH21 H 1 6.64 0 . 1 . . . . 33 ARG HH21 . 7290 1 35 . 1 1 4 4 ARG HH22 H 1 6.64 0 . 1 . . . . 33 ARG HH22 . 7290 1 36 . 1 1 5 5 ASN H H 1 8.534 0 . 1 . . . . 34 ASN H . 7290 1 37 . 1 1 5 5 ASN HA H 1 4.825 0 . 1 . . . . 34 ASN HA . 7290 1 38 . 1 1 5 5 ASN HB2 H 1 2.852 0 . 2 . . . . 34 ASN HB2 . 7290 1 39 . 1 1 5 5 ASN HB3 H 1 2.914 0 . 2 . . . . 34 ASN HB3 . 7290 1 40 . 1 1 5 5 ASN HD21 H 1 6.83 0 . 2 . . . . 34 ASN HD21 . 7290 1 41 . 1 1 5 5 ASN HD22 H 1 7.547 0 . 2 . . . . 34 ASN HD22 . 7290 1 42 . 1 1 6 6 SER H H 1 8.314 0 . 1 . . . . 35 SER H . 7290 1 43 . 1 1 6 6 SER HA H 1 4.528 0 . 1 . . . . 35 SER HA . 7290 1 44 . 1 1 6 6 SER HB2 H 1 3.921 0 . 2 . . . . 35 SER HB2 . 7290 1 45 . 1 1 6 6 SER HB3 H 1 4.039 0 . 2 . . . . 35 SER HB3 . 7290 1 46 . 1 1 7 7 THR H H 1 8.142 0 . 1 . . . . 36 THR H . 7290 1 47 . 1 1 7 7 THR HA H 1 4.31 0 . 1 . . . . 36 THR HA . 7290 1 48 . 1 1 7 7 THR HB H 1 4.31 0 . 1 . . . . 36 THR HB . 7290 1 49 . 1 1 7 7 THR HG21 H 1 1.296 0 . 1 . . . . 36 THR HG2 . 7290 1 50 . 1 1 7 7 THR HG22 H 1 1.296 0 . 1 . . . . 36 THR HG2 . 7290 1 51 . 1 1 7 7 THR HG23 H 1 1.296 0 . 1 . . . . 36 THR HG2 . 7290 1 52 . 1 1 8 8 ARG H H 1 8.133 0 . 1 . . . . 37 ARG H . 7290 1 53 . 1 1 8 8 ARG HA H 1 4.321 0 . 1 . . . . 37 ARG HA . 7290 1 54 . 1 1 8 8 ARG HB2 H 1 1.853 0 . 2 . . . . 37 ARG HB2 . 7290 1 55 . 1 1 8 8 ARG HB3 H 1 1.912 0 . 2 . . . . 37 ARG HB3 . 7290 1 56 . 1 1 8 8 ARG HG2 H 1 1.7 0 . 1 . . . . 37 ARG HG2 . 7290 1 57 . 1 1 8 8 ARG HG3 H 1 1.7 0 . 1 . . . . 37 ARG HG3 . 7290 1 58 . 1 1 8 8 ARG HD2 H 1 3.251 0 . 1 . . . . 37 ARG HD2 . 7290 1 59 . 1 1 8 8 ARG HD3 H 1 3.251 0 . 1 . . . . 37 ARG HD3 . 7290 1 60 . 1 1 8 8 ARG HE H 1 7.2 0 . 1 . . . . 37 ARG HE . 7290 1 61 . 1 1 8 8 ARG HH11 H 1 6.695 0 . 1 . . . . 37 ARG HH11 . 7290 1 62 . 1 1 8 8 ARG HH12 H 1 6.695 0 . 1 . . . . 37 ARG HH12 . 7290 1 63 . 1 1 8 8 ARG HH21 H 1 6.695 0 . 1 . . . . 37 ARG HH21 . 7290 1 64 . 1 1 8 8 ARG HH22 H 1 6.695 0 . 1 . . . . 37 ARG HH22 . 7290 1 65 . 1 1 9 9 LEU H H 1 7.925 0 . 1 . . . . 38 LEU H . 7290 1 66 . 1 1 9 9 LEU HA H 1 4.345 0 . 1 . . . . 38 LEU HA . 7290 1 67 . 1 1 9 9 LEU HB2 H 1 1.735 0 . 1 . . . . 38 LEU HB2 . 7290 1 68 . 1 1 9 9 LEU HB3 H 1 1.735 0 . 1 . . . . 38 LEU HB3 . 7290 1 69 . 1 1 9 9 LEU HG H 1 1.676 0 . 1 . . . . 38 LEU HG . 7290 1 70 . 1 1 9 9 LEU HD11 H 1 0.9 0 . 2 . . . . 38 LEU HD1 . 7290 1 71 . 1 1 9 9 LEU HD12 H 1 0.9 0 . 2 . . . . 38 LEU HD1 . 7290 1 72 . 1 1 9 9 LEU HD13 H 1 0.9 0 . 2 . . . . 38 LEU HD1 . 7290 1 73 . 1 1 9 9 LEU HD21 H 1 0.952 0 . 2 . . . . 38 LEU HD2 . 7290 1 74 . 1 1 9 9 LEU HD22 H 1 0.952 0 . 2 . . . . 38 LEU HD2 . 7290 1 75 . 1 1 9 9 LEU HD23 H 1 0.952 0 . 2 . . . . 38 LEU HD2 . 7290 1 76 . 1 1 10 10 MET H H 1 8.04 0 . 1 . . . . 39 MET H . 7290 1 77 . 1 1 10 10 MET HA H 1 4.441 0 . 1 . . . . 39 MET HA . 7290 1 78 . 1 1 10 10 MET HB2 H 1 2.096 0 . 2 . . . . 39 MET HB2 . 7290 1 79 . 1 1 10 10 MET HB3 H 1 2.174 0 . 2 . . . . 39 MET HB3 . 7290 1 80 . 1 1 10 10 MET HG2 H 1 2.6 0 . 2 . . . . 39 MET HG2 . 7290 1 81 . 1 1 10 10 MET HG3 H 1 2.675 0 . 2 . . . . 39 MET HG3 . 7290 1 82 . 1 1 10 10 MET HE1 H 1 2.142 0 . 1 . . . . 39 MET HE . 7290 1 83 . 1 1 10 10 MET HE2 H 1 2.142 0 . 1 . . . . 39 MET HE . 7290 1 84 . 1 1 10 10 MET HE3 H 1 2.142 0 . 1 . . . . 39 MET HE . 7290 1 85 . 1 1 11 11 GLY H H 1 8.25 0 . 1 . . . . 40 GLY H . 7290 1 86 . 1 1 11 11 GLY HA2 H 1 3.956 0 . 1 . . . . 40 GLY HA2 . 7290 1 87 . 1 1 11 11 GLY HA3 H 1 3.956 0 . 1 . . . . 40 GLY HA3 . 7290 1 88 . 1 1 12 12 HIS H H 1 8.238 0 . 1 . . . . 41 HIS H . 7290 1 89 . 1 1 12 12 HIS HA H 1 4.721 0 . 1 . . . . 41 HIS HA . 7290 1 90 . 1 1 12 12 HIS HB2 H 1 3.268 0 . 2 . . . . 41 HIS HB2 . 7290 1 91 . 1 1 12 12 HIS HB3 H 1 3.424 0 . 2 . . . . 41 HIS HB3 . 7290 1 92 . 1 1 12 12 HIS HD2 H 1 7.331 0 . 1 . . . . 41 HIS HD2 . 7290 1 93 . 1 1 12 12 HIS HE1 H 1 8.59 0 . 1 . . . . 41 HIS HE1 . 7290 1 94 . 1 1 13 13 CYS H H 1 8.331 0 . 1 . . . . 42 CYS H . 7290 1 95 . 1 1 13 13 CYS HA H 1 4.476 0 . 1 . . . . 42 CYS HA . 7290 1 96 . 1 1 13 13 CYS HB2 H 1 3.024 0 . 1 . . . . 42 CYS HB2 . 7290 1 97 . 1 1 13 13 CYS HB3 H 1 3.024 0 . 1 . . . . 42 CYS HB3 . 7290 1 98 . 1 1 14 14 GLN H H 1 8.481 0 . 1 . . . . 43 GLN H . 7290 1 99 . 1 1 14 14 GLN HA H 1 4.311 0 . 1 . . . . 43 GLN HA . 7290 1 100 . 1 1 14 14 GLN HB2 H 1 2.099 0 . 2 . . . . 43 GLN HB2 . 7290 1 101 . 1 1 14 14 GLN HB3 H 1 2.181 0 . 2 . . . . 43 GLN HB3 . 7290 1 102 . 1 1 14 14 GLN HG2 H 1 2.45 0 . 1 . . . . 43 GLN HG2 . 7290 1 103 . 1 1 14 14 GLN HG3 H 1 2.45 0 . 1 . . . . 43 GLN HG3 . 7290 1 104 . 1 1 15 15 LYS H H 1 8.201 0 . 1 . . . . 44 LYS H . 7290 1 105 . 1 1 15 15 LYS HA H 1 4.369 0 . 1 . . . . 44 LYS HA . 7290 1 106 . 1 1 15 15 LYS HB2 H 1 1.857 0 . 2 . . . . 44 LYS HB2 . 7290 1 107 . 1 1 15 15 LYS HB3 H 1 1.914 0 . 2 . . . . 44 LYS HB3 . 7290 1 108 . 1 1 15 15 LYS HG2 H 1 1.495 0 . 2 . . . . 44 LYS HG2 . 7290 1 109 . 1 1 15 15 LYS HG3 H 1 1.54 0 . 2 . . . . 44 LYS HG3 . 7290 1 110 . 1 1 15 15 LYS HD2 H 1 1.736 0 . 1 . . . . 44 LYS HD2 . 7290 1 111 . 1 1 15 15 LYS HD3 H 1 1.736 0 . 1 . . . . 44 LYS HD3 . 7290 1 112 . 1 1 15 15 LYS HE2 H 1 3.038 0 . 1 . . . . 44 LYS HE2 . 7290 1 113 . 1 1 15 15 LYS HE3 H 1 3.038 0 . 1 . . . . 44 LYS HE3 . 7290 1 114 . 1 1 15 15 LYS HZ1 H 1 7.618 0 . 1 . . . . 44 LYS HZ . 7290 1 115 . 1 1 15 15 LYS HZ2 H 1 7.618 0 . 1 . . . . 44 LYS HZ . 7290 1 116 . 1 1 15 15 LYS HZ3 H 1 7.618 0 . 1 . . . . 44 LYS HZ . 7290 1 117 . 1 1 16 16 THR H H 1 7.905 0 . 1 . . . . 45 THR H . 7290 1 118 . 1 1 16 16 THR HA H 1 4.333 0 . 1 . . . . 45 THR HA . 7290 1 119 . 1 1 16 16 THR HB H 1 4.333 0 . 1 . . . . 45 THR HB . 7290 1 120 . 1 1 16 16 THR HG21 H 1 1.248 0 . 1 . . . . 45 THR HG2 . 7290 1 121 . 1 1 16 16 THR HG22 H 1 1.248 0 . 1 . . . . 45 THR HG2 . 7290 1 122 . 1 1 16 16 THR HG23 H 1 1.248 0 . 1 . . . . 45 THR HG2 . 7290 1 123 . 1 1 17 17 MET H H 1 8.243 0 . 1 . . . . 46 MET H . 7290 1 124 . 1 1 17 17 MET HA H 1 4.485 0 . 1 . . . . 46 MET HA . 7290 1 125 . 1 1 17 17 MET HB2 H 1 2.11 0 . 2 . . . . 46 MET HB2 . 7290 1 126 . 1 1 17 17 MET HB3 H 1 2.155 0 . 2 . . . . 46 MET HB3 . 7290 1 127 . 1 1 17 17 MET HG2 H 1 2.608 0 . 2 . . . . 46 MET HG2 . 7290 1 128 . 1 1 17 17 MET HG3 H 1 2.656 0 . 2 . . . . 46 MET HG3 . 7290 1 129 . 1 1 17 17 MET HE1 H 1 2.128 0 . 1 . . . . 46 MET HE . 7290 1 130 . 1 1 17 17 MET HE2 H 1 2.128 0 . 1 . . . . 46 MET HE . 7290 1 131 . 1 1 17 17 MET HE3 H 1 2.128 0 . 1 . . . . 46 MET HE . 7290 1 132 . 1 1 18 18 ASN H H 1 8.225 0 . 1 . . . . 47 ASN H . 7290 1 133 . 1 1 18 18 ASN HA H 1 4.65 0 . 1 . . . . 47 ASN HA . 7290 1 134 . 1 1 18 18 ASN HB2 H 1 2.839 0 . 1 . . . . 47 ASN HB2 . 7290 1 135 . 1 1 18 18 ASN HB3 H 1 2.839 0 . 1 . . . . 47 ASN HB3 . 7290 1 136 . 1 1 18 18 ASN HD21 H 1 6.706 0 . 2 . . . . 47 ASN HD21 . 7290 1 137 . 1 1 18 18 ASN HD22 H 1 7.442 0 . 2 . . . . 47 ASN HD22 . 7290 1 138 . 1 1 19 19 GLN H H 1 8.116 0 . 1 . . . . 48 GLN H . 7290 1 139 . 1 1 19 19 GLN HA H 1 4.363 0 . 1 . . . . 48 GLN HA . 7290 1 140 . 1 1 19 19 GLN HB2 H 1 2.146 0 . 2 . . . . 48 GLN HB2 . 7290 1 141 . 1 1 19 19 GLN HB3 H 1 2.186 0 . 2 . . . . 48 GLN HB3 . 7290 1 142 . 1 1 19 19 GLN HG2 H 1 2.425 0 . 1 . . . . 48 GLN HG2 . 7290 1 143 . 1 1 19 19 GLN HG3 H 1 2.425 0 . 1 . . . . 48 GLN HG3 . 7290 1 144 . 1 1 19 19 GLN HE21 H 1 6.65 0 . 2 . . . . 48 GLN HE21 . 7290 1 145 . 1 1 19 19 GLN HE22 H 1 7.363 0 . 2 . . . . 48 GLN HE22 . 7290 1 146 . 1 1 20 20 VAL H H 1 7.884 0 . 1 . . . . 49 VAL H . 7290 1 147 . 1 1 20 20 VAL HA H 1 4.113 0 . 1 . . . . 49 VAL HA . 7290 1 148 . 1 1 20 20 VAL HB H 1 2.184 0 . 1 . . . . 49 VAL HB . 7290 1 149 . 1 1 20 20 VAL HG11 H 1 0.897 0 . 2 . . . . 49 VAL HG1 . 7290 1 150 . 1 1 20 20 VAL HG12 H 1 0.897 0 . 2 . . . . 49 VAL HG1 . 7290 1 151 . 1 1 20 20 VAL HG13 H 1 0.897 0 . 2 . . . . 49 VAL HG1 . 7290 1 152 . 1 1 20 20 VAL HG21 H 1 0.957 0 . 2 . . . . 49 VAL HG2 . 7290 1 153 . 1 1 20 20 VAL HG22 H 1 0.957 0 . 2 . . . . 49 VAL HG2 . 7290 1 154 . 1 1 20 20 VAL HG23 H 1 0.957 0 . 2 . . . . 49 VAL HG2 . 7290 1 155 . 1 1 21 21 VAL H H 1 7.816 0 . 1 . . . . 50 VAL H . 7290 1 156 . 1 1 21 21 VAL HA H 1 4.176 0 . 1 . . . . 50 VAL HA . 7290 1 157 . 1 1 21 21 VAL HB H 1 2.14 0 . 1 . . . . 50 VAL HB . 7290 1 158 . 1 1 21 21 VAL HG11 H 1 0.981 0 . 1 . . . . 50 VAL HG1 . 7290 1 159 . 1 1 21 21 VAL HG12 H 1 0.981 0 . 1 . . . . 50 VAL HG1 . 7290 1 160 . 1 1 21 21 VAL HG13 H 1 0.981 0 . 1 . . . . 50 VAL HG1 . 7290 1 161 . 1 1 21 21 VAL HG21 H 1 0.981 0 . 1 . . . . 50 VAL HG2 . 7290 1 162 . 1 1 21 21 VAL HG22 H 1 0.981 0 . 1 . . . . 50 VAL HG2 . 7290 1 163 . 1 1 21 21 VAL HG23 H 1 0.981 0 . 1 . . . . 50 VAL HG2 . 7290 1 164 . 1 1 22 22 MET H H 1 8.08 0 . 1 . . . . 51 MET H . 7290 1 165 . 1 1 22 22 MET HA H 1 4.814 0 . 1 . . . . 51 MET HA . 7290 1 166 . 1 1 22 22 MET HB2 H 1 2.109 0 . 1 . . . . 51 MET HB2 . 7290 1 167 . 1 1 22 22 MET HB3 H 1 2.109 0 . 1 . . . . 51 MET HB3 . 7290 1 168 . 1 1 22 22 MET HG2 H 1 2.608 0 . 2 . . . . 51 MET HG2 . 7290 1 169 . 1 1 22 22 MET HG3 H 1 2.671 0 . 2 . . . . 51 MET HG3 . 7290 1 170 . 1 1 22 22 MET HE1 H 1 2.109 0 . 1 . . . . 51 MET HE . 7290 1 171 . 1 1 22 22 MET HE2 H 1 2.109 0 . 1 . . . . 51 MET HE . 7290 1 172 . 1 1 22 22 MET HE3 H 1 2.109 0 . 1 . . . . 51 MET HE . 7290 1 173 . 1 1 23 23 PRO HA H 1 4.409 0 . 1 . . . . 52 PRO HA . 7290 1 174 . 1 1 23 23 PRO HB2 H 1 1.967 0 . 2 . . . . 52 PRO HB2 . 7290 1 175 . 1 1 23 23 PRO HB3 H 1 2.338 0 . 2 . . . . 52 PRO HB3 . 7290 1 176 . 1 1 23 23 PRO HG2 H 1 2.033 0 . 1 . . . . 52 PRO HG2 . 7290 1 177 . 1 1 23 23 PRO HG3 H 1 2.033 0 . 1 . . . . 52 PRO HG3 . 7290 1 178 . 1 1 23 23 PRO HD2 H 1 3.779 0 . 1 . . . . 52 PRO HD2 . 7290 1 179 . 1 1 23 23 PRO HD3 H 1 3.779 0 . 1 . . . . 52 PRO HD3 . 7290 1 180 . 1 1 24 24 LYS H H 1 7.927 0 . 1 . . . . 53 LYS H . 7290 1 181 . 1 1 24 24 LYS HA H 1 4.045 0 . 1 . . . . 53 LYS HA . 7290 1 182 . 1 1 24 24 LYS HB2 H 1 1.736 0 . 2 . . . . 53 LYS HB2 . 7290 1 183 . 1 1 24 24 LYS HB3 H 1 1.885 0 . 2 . . . . 53 LYS HB3 . 7290 1 184 . 1 1 24 24 LYS HG2 H 1 1.482 0 . 2 . . . . 53 LYS HG2 . 7290 1 185 . 1 1 24 24 LYS HG3 H 1 1.567 0 . 2 . . . . 53 LYS HG3 . 7290 1 186 . 1 1 24 24 LYS HD2 H 1 1.697 0 . 1 . . . . 53 LYS HD2 . 7290 1 187 . 1 1 24 24 LYS HD3 H 1 1.697 0 . 1 . . . . 53 LYS HD3 . 7290 1 188 . 1 1 24 24 LYS HE2 H 1 3.026 0 . 1 . . . . 53 LYS HE2 . 7290 1 189 . 1 1 24 24 LYS HE3 H 1 3.026 0 . 1 . . . . 53 LYS HE3 . 7290 1 190 . 1 1 24 24 LYS HZ1 H 1 7.622 0 . 1 . . . . 53 LYS HZ . 7290 1 191 . 1 1 24 24 LYS HZ2 H 1 7.622 0 . 1 . . . . 53 LYS HZ . 7290 1 192 . 1 1 24 24 LYS HZ3 H 1 7.622 0 . 1 . . . . 53 LYS HZ . 7290 1 193 . 1 1 25 25 GLN H H 1 8.377 0 . 1 . . . . 54 GLN H . 7290 1 194 . 1 1 25 25 GLN HA H 1 4.116 0 . 1 . . . . 54 GLN HA . 7290 1 195 . 1 1 25 25 GLN HB2 H 1 2.117 0 . 2 . . . . 54 GLN HB2 . 7290 1 196 . 1 1 25 25 GLN HB3 H 1 2.197 0 . 2 . . . . 54 GLN HB3 . 7290 1 197 . 1 1 25 25 GLN HG2 H 1 2.318 0 . 2 . . . . 54 GLN HG2 . 7290 1 198 . 1 1 25 25 GLN HG3 H 1 2.393 0 . 2 . . . . 54 GLN HG3 . 7290 1 199 . 1 1 25 25 GLN HE21 H 1 6.578 0 . 2 . . . . 54 GLN HE21 . 7290 1 200 . 1 1 25 25 GLN HE22 H 1 6.964 0 . 2 . . . . 54 GLN HE22 . 7290 1 201 . 1 1 26 26 ILE H H 1 7.637 0 . 1 . . . . 55 ILE H . 7290 1 202 . 1 1 26 26 ILE HA H 1 4.117 0 . 1 . . . . 55 ILE HA . 7290 1 203 . 1 1 26 26 ILE HB H 1 2.072 0 . 1 . . . . 55 ILE HB . 7290 1 204 . 1 1 26 26 ILE HG12 H 1 1.316 0 . 2 . . . . 55 ILE HG12 . 7290 1 205 . 1 1 26 26 ILE HG13 H 1 1.674 0 . 2 . . . . 55 ILE HG13 . 7290 1 206 . 1 1 26 26 ILE HG21 H 1 1.046 0 . 1 . . . . 55 ILE HG2 . 7290 1 207 . 1 1 26 26 ILE HG22 H 1 1.046 0 . 1 . . . . 55 ILE HG2 . 7290 1 208 . 1 1 26 26 ILE HG23 H 1 1.046 0 . 1 . . . . 55 ILE HG2 . 7290 1 209 . 1 1 26 26 ILE HD11 H 1 0.935 0 . 1 . . . . 55 ILE HD1 . 7290 1 210 . 1 1 26 26 ILE HD12 H 1 0.935 0 . 1 . . . . 55 ILE HD1 . 7290 1 211 . 1 1 26 26 ILE HD13 H 1 0.935 0 . 1 . . . . 55 ILE HD1 . 7290 1 212 . 1 1 27 27 VAL H H 1 7.635 0 . 1 . . . . 56 VAL H . 7290 1 213 . 1 1 27 27 VAL HA H 1 3.692 0 . 1 . . . . 56 VAL HA . 7290 1 214 . 1 1 27 27 VAL HB H 1 2.149 0 . 1 . . . . 56 VAL HB . 7290 1 215 . 1 1 27 27 VAL HG11 H 1 0.936 0 . 2 . . . . 56 VAL HG1 . 7290 1 216 . 1 1 27 27 VAL HG12 H 1 0.936 0 . 2 . . . . 56 VAL HG1 . 7290 1 217 . 1 1 27 27 VAL HG13 H 1 0.936 0 . 2 . . . . 56 VAL HG1 . 7290 1 218 . 1 1 27 27 VAL HG21 H 1 1.045 0 . 2 . . . . 56 VAL HG2 . 7290 1 219 . 1 1 27 27 VAL HG22 H 1 1.045 0 . 2 . . . . 56 VAL HG2 . 7290 1 220 . 1 1 27 27 VAL HG23 H 1 1.045 0 . 2 . . . . 56 VAL HG2 . 7290 1 221 . 1 1 28 28 TYR H H 1 7.97 0 . 1 . . . . 57 TYR H . 7290 1 222 . 1 1 28 28 TYR HA H 1 4.299 0 . 1 . . . . 57 TYR HA . 7290 1 223 . 1 1 28 28 TYR HB2 H 1 3.075 0 . 1 . . . . 57 TYR HB2 . 7290 1 224 . 1 1 28 28 TYR HB3 H 1 3.075 0 . 1 . . . . 57 TYR HB3 . 7290 1 225 . 1 1 28 28 TYR HD1 H 1 6.848 0 . 1 . . . . 57 TYR HD1 . 7290 1 226 . 1 1 28 28 TYR HD2 H 1 6.848 0 . 1 . . . . 57 TYR HD2 . 7290 1 227 . 1 1 28 28 TYR HE1 H 1 6.534 0 . 1 . . . . 57 TYR HE1 . 7290 1 228 . 1 1 28 28 TYR HE2 H 1 6.534 0 . 1 . . . . 57 TYR HE2 . 7290 1 229 . 1 1 29 29 TRP H H 1 8.249 0 . 1 . . . . 58 TRP H . 7290 1 230 . 1 1 29 29 TRP HA H 1 4.65 0 . 1 . . . . 58 TRP HA . 7290 1 231 . 1 1 29 29 TRP HB2 H 1 3.488 0 . 1 . . . . 58 TRP HB2 . 7290 1 232 . 1 1 29 29 TRP HB3 H 1 3.488 0 . 1 . . . . 58 TRP HB3 . 7290 1 233 . 1 1 29 29 TRP HD1 H 1 7.269 0 . 1 . . . . 58 TRP HD1 . 7290 1 234 . 1 1 29 29 TRP HE1 H 1 9.637 0 . 1 . . . . 58 TRP HE1 . 7290 1 235 . 1 1 29 29 TRP HE3 H 1 7.596 0 . 1 . . . . 58 TRP HE3 . 7290 1 236 . 1 1 29 29 TRP HZ2 H 1 6.674 0 . 1 . . . . 58 TRP HZ2 . 7290 1 237 . 1 1 29 29 TRP HZ3 H 1 7.436 0 . 1 . . . . 58 TRP HZ3 . 7290 1 238 . 1 1 29 29 TRP HH2 H 1 7.099 0 . 1 . . . . 58 TRP HH2 . 7290 1 239 . 1 1 30 30 LYS H H 1 8.586 0 . 1 . . . . 59 LYS H . 7290 1 240 . 1 1 30 30 LYS HA H 1 3.996 0 . 1 . . . . 59 LYS HA . 7290 1 241 . 1 1 30 30 LYS HB2 H 1 1.954 0 . 2 . . . . 59 LYS HB2 . 7290 1 242 . 1 1 30 30 LYS HB3 H 1 2.034 0 . 2 . . . . 59 LYS HB3 . 7290 1 243 . 1 1 30 30 LYS HG2 H 1 1.484 0 . 1 . . . . 59 LYS HG2 . 7290 1 244 . 1 1 30 30 LYS HG3 H 1 1.484 0 . 1 . . . . 59 LYS HG3 . 7290 1 245 . 1 1 30 30 LYS HD2 H 1 1.69 0 . 1 . . . . 59 LYS HD2 . 7290 1 246 . 1 1 30 30 LYS HD3 H 1 1.69 0 . 1 . . . . 59 LYS HD3 . 7290 1 247 . 1 1 30 30 LYS HE2 H 1 2.996 0 . 1 . . . . 59 LYS HE2 . 7290 1 248 . 1 1 30 30 LYS HE3 H 1 2.996 0 . 1 . . . . 59 LYS HE3 . 7290 1 249 . 1 1 30 30 LYS HZ1 H 1 7.606 0 . 1 . . . . 59 LYS HZ . 7290 1 250 . 1 1 30 30 LYS HZ2 H 1 7.606 0 . 1 . . . . 59 LYS HZ . 7290 1 251 . 1 1 30 30 LYS HZ3 H 1 7.606 0 . 1 . . . . 59 LYS HZ . 7290 1 252 . 1 1 31 31 GLN H H 1 8.312 0 . 1 . . . . 60 GLN H . 7290 1 253 . 1 1 31 31 GLN HA H 1 4.042 0 . 1 . . . . 60 GLN HA . 7290 1 254 . 1 1 31 31 GLN HB2 H 1 2.295 0 . 1 . . . . 60 GLN HB2 . 7290 1 255 . 1 1 31 31 GLN HB3 H 1 2.295 0 . 1 . . . . 60 GLN HB3 . 7290 1 256 . 1 1 31 31 GLN HG2 H 1 2.499 0 . 1 . . . . 60 GLN HG2 . 7290 1 257 . 1 1 31 31 GLN HG3 H 1 2.499 0 . 1 . . . . 60 GLN HG3 . 7290 1 258 . 1 1 31 31 GLN HE21 H 1 6.453 0 . 2 . . . . 60 GLN HE21 . 7290 1 259 . 1 1 31 31 GLN HE22 H 1 6.828 0 . 2 . . . . 60 GLN HE22 . 7290 1 260 . 1 1 32 32 TRP H H 1 8.493 0 . 1 . . . . 61 TRP H . 7290 1 261 . 1 1 32 32 TRP HA H 1 4.194 0 . 1 . . . . 61 TRP HA . 7290 1 262 . 1 1 32 32 TRP HB2 H 1 3.112 0 . 2 . . . . 61 TRP HB2 . 7290 1 263 . 1 1 32 32 TRP HB3 H 1 3.481 0 . 2 . . . . 61 TRP HB3 . 7290 1 264 . 1 1 32 32 TRP HD1 H 1 7.023 0 . 1 . . . . 61 TRP HD1 . 7290 1 265 . 1 1 32 32 TRP HE1 H 1 9.607 0 . 1 . . . . 61 TRP HE1 . 7290 1 266 . 1 1 32 32 TRP HE3 H 1 7.482 0 . 1 . . . . 61 TRP HE3 . 7290 1 267 . 1 1 32 32 TRP HZ2 H 1 7.45 0 . 1 . . . . 61 TRP HZ2 . 7290 1 268 . 1 1 32 32 TRP HZ3 H 1 7.081 0 . 1 . . . . 61 TRP HZ3 . 7290 1 269 . 1 1 32 32 TRP HH2 H 1 7.21 0 . 1 . . . . 61 TRP HH2 . 7290 1 270 . 1 1 33 33 LEU H H 1 8.642 0 . 1 . . . . 62 LEU H . 7290 1 271 . 1 1 33 33 LEU HA H 1 3.902 0 . 1 . . . . 62 LEU HA . 7290 1 272 . 1 1 33 33 LEU HB2 H 1 1.864 0 . 1 . . . . 62 LEU HB2 . 7290 1 273 . 1 1 33 33 LEU HB3 H 1 1.864 0 . 1 . . . . 62 LEU HB3 . 7290 1 274 . 1 1 33 33 LEU HG H 1 1.496 0 . 1 . . . . 62 LEU HG . 7290 1 275 . 1 1 33 33 LEU HD11 H 1 0.849 0 . 2 . . . . 62 LEU HD1 . 7290 1 276 . 1 1 33 33 LEU HD12 H 1 0.849 0 . 2 . . . . 62 LEU HD1 . 7290 1 277 . 1 1 33 33 LEU HD13 H 1 0.849 0 . 2 . . . . 62 LEU HD1 . 7290 1 278 . 1 1 33 33 LEU HD21 H 1 0.918 0 . 2 . . . . 62 LEU HD2 . 7290 1 279 . 1 1 33 33 LEU HD22 H 1 0.918 0 . 2 . . . . 62 LEU HD2 . 7290 1 280 . 1 1 33 33 LEU HD23 H 1 0.918 0 . 2 . . . . 62 LEU HD2 . 7290 1 281 . 1 1 34 34 SER H H 1 7.878 0 . 1 . . . . 63 SER H . 7290 1 282 . 1 1 34 34 SER HA H 1 4.247 0 . 1 . . . . 63 SER HA . 7290 1 283 . 1 1 34 34 SER HB2 H 1 3.944 0 . 2 . . . . 63 SER HB2 . 7290 1 284 . 1 1 34 34 SER HB3 H 1 4.045 0 . 2 . . . . 63 SER HB3 . 7290 1 285 . 1 1 35 35 LEU H H 1 7.492 0 . 1 . . . . 64 LEU H . 7290 1 286 . 1 1 35 35 LEU HA H 1 4.228 0 . 1 . . . . 64 LEU HA . 7290 1 287 . 1 1 35 35 LEU HB2 H 1 1.684 0 . 2 . . . . 64 LEU HB2 . 7290 1 288 . 1 1 35 35 LEU HB3 H 1 1.784 0 . 2 . . . . 64 LEU HB3 . 7290 1 289 . 1 1 35 35 LEU HG H 1 1.5 0 . 1 . . . . 64 LEU HG . 7290 1 290 . 1 1 35 35 LEU HD11 H 1 0.857 0 . 1 . . . . 64 LEU HD1 . 7290 1 291 . 1 1 35 35 LEU HD12 H 1 0.857 0 . 1 . . . . 64 LEU HD1 . 7290 1 292 . 1 1 35 35 LEU HD13 H 1 0.857 0 . 1 . . . . 64 LEU HD1 . 7290 1 293 . 1 1 35 35 LEU HD21 H 1 0.857 0 . 1 . . . . 64 LEU HD2 . 7290 1 294 . 1 1 35 35 LEU HD22 H 1 0.857 0 . 1 . . . . 64 LEU HD2 . 7290 1 295 . 1 1 35 35 LEU HD23 H 1 0.857 0 . 1 . . . . 64 LEU HD2 . 7290 1 296 . 1 1 36 36 ARG H H 1 7.498 0 . 1 . . . . 65 ARG H . 7290 1 297 . 1 1 36 36 ARG HA H 1 4.135 0 . 1 . . . . 65 ARG HA . 7290 1 298 . 1 1 36 36 ARG HB2 H 1 1.571 0 . 2 . . . . 65 ARG HB2 . 7290 1 299 . 1 1 36 36 ARG HB3 H 1 1.728 0 . 2 . . . . 65 ARG HB3 . 7290 1 300 . 1 1 36 36 ARG HG2 H 1 1.396 0 . 1 . . . . 65 ARG HG2 . 7290 1 301 . 1 1 36 36 ARG HG3 H 1 1.396 0 . 1 . . . . 65 ARG HG3 . 7290 1 302 . 1 1 36 36 ARG HD2 H 1 2.771 0 . 1 . . . . 65 ARG HD2 . 7290 1 303 . 1 1 36 36 ARG HD3 H 1 2.771 0 . 1 . . . . 65 ARG HD3 . 7290 1 304 . 1 1 36 36 ARG HH11 H 1 6.83 0 . 1 . . . . 65 ARG HH11 . 7290 1 305 . 1 1 36 36 ARG HH12 H 1 6.83 0 . 1 . . . . 65 ARG HH12 . 7290 1 306 . 1 1 36 36 ARG HH21 H 1 6.83 0 . 1 . . . . 65 ARG HH21 . 7290 1 307 . 1 1 36 36 ARG HH22 H 1 6.83 0 . 1 . . . . 65 ARG HH22 . 7290 1 308 . 1 1 37 37 ASN H H 1 7.718 0 . 1 . . . . 66 ASN H . 7290 1 309 . 1 1 37 37 ASN HA H 1 4.942 0 . 1 . . . . 66 ASN HA . 7290 1 310 . 1 1 37 37 ASN HB2 H 1 2.728 0 . 2 . . . . 66 ASN HB2 . 7290 1 311 . 1 1 37 37 ASN HB3 H 1 2.866 0 . 2 . . . . 66 ASN HB3 . 7290 1 312 . 1 1 37 37 ASN HD21 H 1 7.359 0 . 2 . . . . 66 ASN HD21 . 7290 1 313 . 1 1 37 37 ASN HD22 H 1 6.323 0 . 2 . . . . 66 ASN HD22 . 7290 1 314 . 1 1 38 38 PRO HA H 1 4.405 0 . 1 . . . . 67 PRO HA . 7290 1 315 . 1 1 38 38 PRO HB2 H 1 1.984 0 . 2 . . . . 67 PRO HB2 . 7290 1 316 . 1 1 38 38 PRO HB3 H 1 2.401 0 . 2 . . . . 67 PRO HB3 . 7290 1 317 . 1 1 38 38 PRO HG2 H 1 2.053 0 . 2 . . . . 67 PRO HG2 . 7290 1 318 . 1 1 38 38 PRO HG3 H 1 2.167 0 . 2 . . . . 67 PRO HG3 . 7290 1 319 . 1 1 38 38 PRO HD2 H 1 3.698 0 . 2 . . . . 67 PRO HD2 . 7290 1 320 . 1 1 38 38 PRO HD3 H 1 3.904 0 . 2 . . . . 67 PRO HD3 . 7290 1 321 . 1 1 39 39 ILE H H 1 7.79 0 . 1 . . . . 68 ILE H . 7290 1 322 . 1 1 39 39 ILE HA H 1 4.054 0 . 1 . . . . 68 ILE HA . 7290 1 323 . 1 1 39 39 ILE HB H 1 1.932 0 . 1 . . . . 68 ILE HB . 7290 1 324 . 1 1 39 39 ILE HG12 H 1 1.256 0 . 2 . . . . 68 ILE HG12 . 7290 1 325 . 1 1 39 39 ILE HG13 H 1 1.536 0 . 2 . . . . 68 ILE HG13 . 7290 1 326 . 1 1 39 39 ILE HG21 H 1 0.924 0 . 1 . . . . 68 ILE HG2 . 7290 1 327 . 1 1 39 39 ILE HG22 H 1 0.924 0 . 1 . . . . 68 ILE HG2 . 7290 1 328 . 1 1 39 39 ILE HG23 H 1 0.924 0 . 1 . . . . 68 ILE HG2 . 7290 1 329 . 1 1 39 39 ILE HD11 H 1 0.924 0 . 1 . . . . 68 ILE HD1 . 7290 1 330 . 1 1 39 39 ILE HD12 H 1 0.924 0 . 1 . . . . 68 ILE HD1 . 7290 1 331 . 1 1 39 39 ILE HD13 H 1 0.924 0 . 1 . . . . 68 ILE HD1 . 7290 1 332 . 1 1 40 40 LEU H H 1 7.605 0 . 1 . . . . 69 LEU H . 7290 1 333 . 1 1 40 40 LEU HA H 1 4.346 0 . 1 . . . . 69 LEU HA . 7290 1 334 . 1 1 40 40 LEU HB2 H 1 1.732 0 . 1 . . . . 69 LEU HB2 . 7290 1 335 . 1 1 40 40 LEU HB3 H 1 1.732 0 . 1 . . . . 69 LEU HB3 . 7290 1 336 . 1 1 40 40 LEU HG H 1 1.641 0 . 1 . . . . 69 LEU HG . 7290 1 337 . 1 1 40 40 LEU HD11 H 1 0.892 0 . 2 . . . . 69 LEU HD1 . 7290 1 338 . 1 1 40 40 LEU HD12 H 1 0.892 0 . 2 . . . . 69 LEU HD1 . 7290 1 339 . 1 1 40 40 LEU HD13 H 1 0.892 0 . 2 . . . . 69 LEU HD1 . 7290 1 340 . 1 1 40 40 LEU HD21 H 1 0.973 0 . 2 . . . . 69 LEU HD2 . 7290 1 341 . 1 1 40 40 LEU HD22 H 1 0.973 0 . 2 . . . . 69 LEU HD2 . 7290 1 342 . 1 1 40 40 LEU HD23 H 1 0.973 0 . 2 . . . . 69 LEU HD2 . 7290 1 343 . 1 1 41 41 VAL H H 1 7.515 0 . 1 . . . . 70 VAL H . 7290 1 344 . 1 1 41 41 VAL HA H 1 4.1 0 . 1 . . . . 70 VAL HA . 7290 1 345 . 1 1 41 41 VAL HB H 1 2.151 0 . 1 . . . . 70 VAL HB . 7290 1 346 . 1 1 41 41 VAL HG11 H 1 0.971 0 . 1 . . . . 70 VAL HG1 . 7290 1 347 . 1 1 41 41 VAL HG12 H 1 0.971 0 . 1 . . . . 70 VAL HG1 . 7290 1 348 . 1 1 41 41 VAL HG13 H 1 0.971 0 . 1 . . . . 70 VAL HG1 . 7290 1 349 . 1 1 41 41 VAL HG21 H 1 0.971 0 . 1 . . . . 70 VAL HG2 . 7290 1 350 . 1 1 41 41 VAL HG22 H 1 0.971 0 . 1 . . . . 70 VAL HG2 . 7290 1 351 . 1 1 41 41 VAL HG23 H 1 0.971 0 . 1 . . . . 70 VAL HG2 . 7290 1 stop_ save_