data_4910 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4910 _Entry.Title ; 1H and 15N chemical shift assignments for LEKTI domain one (HF6478) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-12-06 _Entry.Accession_date 2000-12-06 _Entry.Last_release_date 2000-12-06 _Entry.Original_release_date 2000-12-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Thomas Lauber . . . . 4910 2 Knut Adermann . . . . 4910 3 Axel Schulz . . . . 4910 4 Wolf Forssmann . Georg . . 4910 5 Paul Roesch . . . . 4910 6 Ute Marx . Charlotte . . 4910 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4910 coupling_constants 1 4910 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 51 4910 '1H chemical shifts' 686 4910 'coupling constants' 13 4910 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-11-11 . original BMRB . 4910 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1HDL 'BMRB Entry Tracking System' 4910 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4910 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12684009 _Citation.Full_citation . _Citation.Title ; Homologous proteins with different folds: the three-dimensional structures of domains 1 and 6 of the multiple Kazal-type inhibitor LEKTI ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 328 _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 205 _Citation.Page_last 219 _Citation.Year 2003 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Thomas Lauber . . . . 4910 1 2 Axel Schulz . . . . 4910 1 3 K. Schweimer . . . . 4910 1 4 Knut Adermann . . . . 4910 1 5 Ute Marx . Charlotte . . 4910 1 stop_ save_ save_ref-1 _Citation.Sf_category citations _Citation.Sf_framecode ref-1 _Citation.Entry_ID 4910 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMRView: A computer program for the visualization and analysis of NMR data ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 4 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 603 _Citation.Page_last 614 _Citation.Year 1994 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 B. Johnson . A. . . 4910 2 2 R. Blevins . A. . . 4910 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_HF6478 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_HF6478 _Assembly.Entry_ID 4910 _Assembly.ID 1 _Assembly.Name 'LEKTI domain one' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _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 4910 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 HF6478 1 $HF6478_monomer . . . native . . . . . 4910 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 8 8 SG . 1 . 1 CYS 44 44 SG . . . . . . . . . . . . 4910 1 2 disulfide single . 1 . 1 CYS 22 22 SG . 1 . 1 CYS 41 41 SG . . . . . . . . . . . . 4910 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 1HDL . . . . . . 4910 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID HF6478 abbreviation 4910 1 'LEKTI domain one' system 4910 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'putative serine proteinase inhibitor' 4910 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HF6478_monomer _Entity.Sf_category entity _Entity.Sf_framecode HF6478_monomer _Entity.Entry_ID 4910 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HF6478 _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 ; KNEDQEMCHEFQAFMKNGKL FCPQDKKFFQSLDGIMFINK CATCKMILEKEAKSQ ; _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 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6478 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1HDL . 'Lekti Domain One' . . . . . 100.00 55 100.00 100.00 1.92e-23 . . . . 4910 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID HF6478 abbreviation 4910 1 HF6478 common 4910 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 . LYS . 4910 1 2 . ASN . 4910 1 3 . GLU . 4910 1 4 . ASP . 4910 1 5 . GLN . 4910 1 6 . GLU . 4910 1 7 . MET . 4910 1 8 . CYS . 4910 1 9 . HIS . 4910 1 10 . GLU . 4910 1 11 . PHE . 4910 1 12 . GLN . 4910 1 13 . ALA . 4910 1 14 . PHE . 4910 1 15 . MET . 4910 1 16 . LYS . 4910 1 17 . ASN . 4910 1 18 . GLY . 4910 1 19 . LYS . 4910 1 20 . LEU . 4910 1 21 . PHE . 4910 1 22 . CYS . 4910 1 23 . PRO . 4910 1 24 . GLN . 4910 1 25 . ASP . 4910 1 26 . LYS . 4910 1 27 . LYS . 4910 1 28 . PHE . 4910 1 29 . PHE . 4910 1 30 . GLN . 4910 1 31 . SER . 4910 1 32 . LEU . 4910 1 33 . ASP . 4910 1 34 . GLY . 4910 1 35 . ILE . 4910 1 36 . MET . 4910 1 37 . PHE . 4910 1 38 . ILE . 4910 1 39 . ASN . 4910 1 40 . LYS . 4910 1 41 . CYS . 4910 1 42 . ALA . 4910 1 43 . THR . 4910 1 44 . CYS . 4910 1 45 . LYS . 4910 1 46 . MET . 4910 1 47 . ILE . 4910 1 48 . LEU . 4910 1 49 . GLU . 4910 1 50 . LYS . 4910 1 51 . GLU . 4910 1 52 . ALA . 4910 1 53 . LYS . 4910 1 54 . SER . 4910 1 55 . GLN . 4910 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 . LYS 1 1 4910 1 . ASN 2 2 4910 1 . GLU 3 3 4910 1 . ASP 4 4 4910 1 . GLN 5 5 4910 1 . GLU 6 6 4910 1 . MET 7 7 4910 1 . CYS 8 8 4910 1 . HIS 9 9 4910 1 . GLU 10 10 4910 1 . PHE 11 11 4910 1 . GLN 12 12 4910 1 . ALA 13 13 4910 1 . PHE 14 14 4910 1 . MET 15 15 4910 1 . LYS 16 16 4910 1 . ASN 17 17 4910 1 . GLY 18 18 4910 1 . LYS 19 19 4910 1 . LEU 20 20 4910 1 . PHE 21 21 4910 1 . CYS 22 22 4910 1 . PRO 23 23 4910 1 . GLN 24 24 4910 1 . ASP 25 25 4910 1 . LYS 26 26 4910 1 . LYS 27 27 4910 1 . PHE 28 28 4910 1 . PHE 29 29 4910 1 . GLN 30 30 4910 1 . SER 31 31 4910 1 . LEU 32 32 4910 1 . ASP 33 33 4910 1 . GLY 34 34 4910 1 . ILE 35 35 4910 1 . MET 36 36 4910 1 . PHE 37 37 4910 1 . ILE 38 38 4910 1 . ASN 39 39 4910 1 . LYS 40 40 4910 1 . CYS 41 41 4910 1 . ALA 42 42 4910 1 . THR 43 43 4910 1 . CYS 44 44 4910 1 . LYS 45 45 4910 1 . MET 46 46 4910 1 . ILE 47 47 4910 1 . LEU 48 48 4910 1 . GLU 49 49 4910 1 . LYS 50 50 4910 1 . GLU 51 51 4910 1 . ALA 52 52 4910 1 . LYS 53 53 4910 1 . SER 54 54 4910 1 . GLN 55 55 4910 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 4910 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HF6478_monomer . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . 'vaginal epithelium' . . . . . . . . . 4910 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 4910 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HF6478_monomer . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli origami DE3 . plasmid . . pET32a . . . 4910 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4910 _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 HF6478 [U-15N] . . 1 $HF6478_monomer . . 1.5 . . mM . . . . 4910 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4910 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HF6478 . . . 1 $HF6478_monomer . . 1.2 . . mM . . . . 4910 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4910 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.5 0.2 n/a 4910 1 temperature 298 1 K 4910 1 stop_ save_ ############################ # Computer software used # ############################ save_NDEE _Software.Sf_category software _Software.Sf_framecode NDEE _Software.Entry_ID 4910 _Software.ID 1 _Software.Type . _Software.Name NDEE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Spinup Inc.' 'Dortmund, Germany.' . 4910 1 stop_ save_ save_nmrview _Software.Sf_category software _Software.Sf_framecode nmrview _Software.Entry_ID 4910 _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version 4.1.0 _Software.DOI . _Software.Details . loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref-1 4910 2 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 4910 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 4910 _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 DRX . 600 . . . 4910 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 4910 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4910 1 2 2D-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4910 1 3 2D-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4910 1 4 1H-15N-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4910 1 5 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4910 1 6 3D-1H-15N-TOCSY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4910 1 7 3D-1H-15N-NOESY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4910 1 8 3D-1H-15N/1H-15N-HMQC-NOESY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4910 1 stop_ 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 4910 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 4910 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 4910 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4910 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 ; several unassigned signals were observed that may correspond to peptide fragments due to self degradation of the protein ; _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 2D-TOCSY . . . 4910 1 2 2D-NOESY . . . 4910 1 3 2D-COSY . . . 4910 1 4 1H-15N-HSQC . . . 4910 1 5 HNHA . . . 4910 1 6 3D-1H-15N-TOCSY-HSQC . . . 4910 1 7 3D-1H-15N-NOESY-HSQC . . . 4910 1 8 3D-1H-15N/1H-15N-HMQC-NOESY-HSQC . . . 4910 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.Ambiguity_set_ID _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 LYS HA H 1 4.074 0.02 . 1 . . . . . . . . . 4910 1 2 . 1 1 1 1 LYS HB2 H 1 1.932 0.02 . 1 . . . . . . . . . 4910 1 3 . 1 1 1 1 LYS HB3 H 1 1.932 0.02 . 1 . . . . . . . . . 4910 1 4 . 1 1 1 1 LYS HG2 H 1 1.434 0.02 . 1 . . . . . . . . . 4910 1 5 . 1 1 1 1 LYS HG3 H 1 1.434 0.02 . 1 . . . . . . . . . 4910 1 6 . 1 1 1 1 LYS HD2 H 1 1.714 0.02 . 1 . . . . . . . . . 4910 1 7 . 1 1 1 1 LYS HD3 H 1 1.714 0.02 . 1 . . . . . . . . . 4910 1 8 . 1 1 1 1 LYS HE2 H 1 3.011 0.02 . 1 . . . . . . . . . 4910 1 9 . 1 1 1 1 LYS HE3 H 1 3.011 0.02 . 1 . . . . . . . . . 4910 1 10 . 1 1 2 2 ASN HA H 1 4.698 0.02 . 2 . . . . . . . . . 4910 1 11 . 1 1 2 2 ASN HB2 H 1 2.901 0.02 . 2 . . . . . . . . . 4910 1 12 . 1 1 2 2 ASN HB3 H 1 2.841 0.02 . 2 . . . . . . . . . 4910 1 13 . 1 1 2 2 ASN HD21 H 1 7.677 0.02 . 2 . . . . . . . . . 4910 1 14 . 1 1 2 2 ASN HD22 H 1 6.977 0.02 . 2 . . . . . . . . . 4910 1 15 . 1 1 2 2 ASN ND2 N 15 112.685 0.2 . 1 . . . . . . . . . 4910 1 16 . 1 1 3 3 GLU H H 1 8.949 0.02 . 1 . . . . . . . . . 4910 1 17 . 1 1 3 3 GLU HA H 1 4.22 0.02 . 1 . . . . . . . . . 4910 1 18 . 1 1 3 3 GLU HB2 H 1 1.969 0.02 . 1 . . . . . . . . . 4910 1 19 . 1 1 3 3 GLU HB3 H 1 1.969 0.02 . 1 . . . . . . . . . 4910 1 20 . 1 1 3 3 GLU HG2 H 1 2.326 0.02 . 1 . . . . . . . . . 4910 1 21 . 1 1 3 3 GLU HG3 H 1 2.326 0.02 . 1 . . . . . . . . . 4910 1 22 . 1 1 3 3 GLU N N 15 122.075 0.2 . 1 . . . . . . . . . 4910 1 23 . 1 1 4 4 ASP H H 1 8.359 0.02 . 1 . . . . . . . . . 4910 1 24 . 1 1 4 4 ASP HA H 1 4.458 0.02 . 1 . . . . . . . . . 4910 1 25 . 1 1 4 4 ASP HB2 H 1 2.686 0.02 . 1 . . . . . . . . . 4910 1 26 . 1 1 4 4 ASP HB3 H 1 2.686 0.02 . 1 . . . . . . . . . 4910 1 27 . 1 1 4 4 ASP N N 15 120.436 0.2 . 1 . . . . . . . . . 4910 1 28 . 1 1 5 5 GLN H H 1 8.161 0.02 . 1 . . . . . . . . . 4910 1 29 . 1 1 5 5 GLN HA H 1 4.102 0.02 . 1 . . . . . . . . . 4910 1 30 . 1 1 5 5 GLN HB2 H 1 2.024 0.02 . 1 . . . . . . . . . 4910 1 31 . 1 1 5 5 GLN HB3 H 1 2.024 0.02 . 1 . . . . . . . . . 4910 1 32 . 1 1 5 5 GLN HG2 H 1 2.348 0.02 . 1 . . . . . . . . . 4910 1 33 . 1 1 5 5 GLN HG3 H 1 2.348 0.02 . 1 . . . . . . . . . 4910 1 34 . 1 1 5 5 GLN N N 15 119.264 0.2 . 1 . . . . . . . . . 4910 1 35 . 1 1 6 6 GLU H H 1 8.263 0.02 . 1 . . . . . . . . . 4910 1 36 . 1 1 6 6 GLU HA H 1 4.116 0.02 . 1 . . . . . . . . . 4910 1 37 . 1 1 6 6 GLU HB2 H 1 2.065 0.02 . 1 . . . . . . . . . 4910 1 38 . 1 1 6 6 GLU HB3 H 1 2.065 0.02 . 1 . . . . . . . . . 4910 1 39 . 1 1 6 6 GLU HG2 H 1 2.328 0.02 . 1 . . . . . . . . . 4910 1 40 . 1 1 6 6 GLU HG3 H 1 2.328 0.02 . 1 . . . . . . . . . 4910 1 41 . 1 1 6 6 GLU N N 15 120.829 0.2 . 1 . . . . . . . . . 4910 1 42 . 1 1 7 7 MET H H 1 8.347 0.02 . 1 . . . . . . . . . 4910 1 43 . 1 1 7 7 MET HA H 1 4.353 0.02 . 1 . . . . . . . . . 4910 1 44 . 1 1 7 7 MET HB2 H 1 2.211 0.02 . 1 . . . . . . . . . 4910 1 45 . 1 1 7 7 MET HB3 H 1 2.211 0.02 . 1 . . . . . . . . . 4910 1 46 . 1 1 7 7 MET HG2 H 1 2.686 0.02 . 1 . . . . . . . . . 4910 1 47 . 1 1 7 7 MET HG3 H 1 2.686 0.02 . 1 . . . . . . . . . 4910 1 48 . 1 1 7 7 MET N N 15 120.436 0.2 . 1 . . . . . . . . . 4910 1 49 . 1 1 11 11 PHE H H 1 7.601 0.02 . 1 . . . . . . . . . 4910 1 50 . 1 1 11 11 PHE HA H 1 4.729 0.02 . 1 . . . . . . . . . 4910 1 51 . 1 1 11 11 PHE HB2 H 1 3.629 0.02 . 2 . . . . . . . . . 4910 1 52 . 1 1 11 11 PHE HB3 H 1 2.719 0.02 . 2 . . . . . . . . . 4910 1 53 . 1 1 11 11 PHE HD1 H 1 7.105 0.02 . 1 . . . . . . . . . 4910 1 54 . 1 1 11 11 PHE HD2 H 1 7.105 0.02 . 1 . . . . . . . . . 4910 1 55 . 1 1 11 11 PHE N N 15 116.129 0.2 . 1 . . . . . . . . . 4910 1 56 . 1 1 12 12 GLN H H 1 7.563 0.02 . 1 . . . . . . . . . 4910 1 57 . 1 1 12 12 GLN HA H 1 3.873 0.02 . 1 . . . . . . . . . 4910 1 58 . 1 1 12 12 GLN HB2 H 1 2.105 0.02 . 1 . . . . . . . . . 4910 1 59 . 1 1 12 12 GLN HB3 H 1 2.105 0.02 . 1 . . . . . . . . . 4910 1 60 . 1 1 12 12 GLN HG2 H 1 2.469 0.02 . 1 . . . . . . . . . 4910 1 61 . 1 1 12 12 GLN HG3 H 1 2.469 0.02 . 1 . . . . . . . . . 4910 1 62 . 1 1 12 12 GLN HE21 H 1 7.388 0.02 . 2 . . . . . . . . . 4910 1 63 . 1 1 12 12 GLN HE22 H 1 6.821 0.02 . 2 . . . . . . . . . 4910 1 64 . 1 1 12 12 GLN N N 15 120.496 0.2 . 1 . . . . . . . . . 4910 1 65 . 1 1 12 12 GLN NE2 N 15 111.151 0.2 . 1 . . . . . . . . . 4910 1 66 . 1 1 13 13 ALA H H 1 8.022 0.02 . 1 . . . . . . . . . 4910 1 67 . 1 1 13 13 ALA HA H 1 4.108 0.02 . 1 . . . . . . . . . 4910 1 68 . 1 1 13 13 ALA HB1 H 1 1.029 0.02 . 1 . . . . . . . . . 4910 1 69 . 1 1 13 13 ALA HB2 H 1 1.029 0.02 . 1 . . . . . . . . . 4910 1 70 . 1 1 13 13 ALA HB3 H 1 1.029 0.02 . 1 . . . . . . . . . 4910 1 71 . 1 1 13 13 ALA N N 15 118.87 0.2 . 1 . . . . . . . . . 4910 1 72 . 1 1 14 14 PHE H H 1 7.713 0.02 . 1 . . . . . . . . . 4910 1 73 . 1 1 14 14 PHE HA H 1 4.792 0.02 . 1 . . . . . . . . . 4910 1 74 . 1 1 14 14 PHE HB2 H 1 3.971 0.02 . 2 . . . . . . . . . 4910 1 75 . 1 1 14 14 PHE HB3 H 1 2.961 0.02 . 2 . . . . . . . . . 4910 1 76 . 1 1 14 14 PHE HD1 H 1 7.469 0.02 . 1 . . . . . . . . . 4910 1 77 . 1 1 14 14 PHE HD2 H 1 7.469 0.02 . 1 . . . . . . . . . 4910 1 78 . 1 1 14 14 PHE HE1 H 1 7.561 0.02 . 1 . . . . . . . . . 4910 1 79 . 1 1 14 14 PHE HE2 H 1 7.561 0.02 . 1 . . . . . . . . . 4910 1 80 . 1 1 14 14 PHE N N 15 115.793 0.2 . 1 . . . . . . . . . 4910 1 81 . 1 1 15 15 MET H H 1 7.45 0.02 . 1 . . . . . . . . . 4910 1 82 . 1 1 15 15 MET HA H 1 5.177 0.02 . 1 . . . . . . . . . 4910 1 83 . 1 1 15 15 MET HB2 H 1 2.136 0.02 . 2 . . . . . . . . . 4910 1 84 . 1 1 15 15 MET HB3 H 1 1.998 0.02 . 2 . . . . . . . . . 4910 1 85 . 1 1 15 15 MET HG2 H 1 2.684 0.02 . 2 . . . . . . . . . 4910 1 86 . 1 1 15 15 MET HG3 H 1 2.38 0.02 . 2 . . . . . . . . . 4910 1 87 . 1 1 15 15 MET HE1 H 1 1.767 0.02 . 1 . . . . . . . . . 4910 1 88 . 1 1 15 15 MET HE2 H 1 1.767 0.02 . 1 . . . . . . . . . 4910 1 89 . 1 1 15 15 MET HE3 H 1 1.767 0.02 . 1 . . . . . . . . . 4910 1 90 . 1 1 15 15 MET N N 15 120.918 0.2 . 1 . . . . . . . . . 4910 1 91 . 1 1 16 16 LYS H H 1 9.506 0.02 . 1 . . . . . . . . . 4910 1 92 . 1 1 16 16 LYS HA H 1 4.565 0.02 . 1 . . . . . . . . . 4910 1 93 . 1 1 16 16 LYS HB2 H 1 1.844 0.02 . 1 . . . . . . . . . 4910 1 94 . 1 1 16 16 LYS HB3 H 1 1.844 0.02 . 1 . . . . . . . . . 4910 1 95 . 1 1 16 16 LYS HG2 H 1 1.389 0.02 . 1 . . . . . . . . . 4910 1 96 . 1 1 16 16 LYS HG3 H 1 1.389 0.02 . 1 . . . . . . . . . 4910 1 97 . 1 1 16 16 LYS HD2 H 1 1.573 0.02 . 1 . . . . . . . . . 4910 1 98 . 1 1 16 16 LYS HD3 H 1 1.573 0.02 . 1 . . . . . . . . . 4910 1 99 . 1 1 16 16 LYS HE2 H 1 2.877 0.02 . 1 . . . . . . . . . 4910 1 100 . 1 1 16 16 LYS HE3 H 1 2.877 0.02 . 1 . . . . . . . . . 4910 1 101 . 1 1 16 16 LYS N N 15 124.225 0.2 . 1 . . . . . . . . . 4910 1 102 . 1 1 17 17 ASN H H 1 9.558 0.02 . 1 . . . . . . . . . 4910 1 103 . 1 1 17 17 ASN HA H 1 4.407 0.02 . 1 . . . . . . . . . 4910 1 104 . 1 1 17 17 ASN HB2 H 1 3.114 0.02 . 2 . . . . . . . . . 4910 1 105 . 1 1 17 17 ASN HB3 H 1 2.842 0.02 . 2 . . . . . . . . . 4910 1 106 . 1 1 17 17 ASN HD21 H 1 7.627 0.02 . 2 . . . . . . . . . 4910 1 107 . 1 1 17 17 ASN HD22 H 1 6.97 0.02 . 2 . . . . . . . . . 4910 1 108 . 1 1 17 17 ASN N N 15 124.885 0.2 . 1 . . . . . . . . . 4910 1 109 . 1 1 17 17 ASN ND2 N 15 112.685 0.2 . 1 . . . . . . . . . 4910 1 110 . 1 1 18 18 GLY H H 1 8.786 0.02 . 1 . . . . . . . . . 4910 1 111 . 1 1 18 18 GLY HA2 H 1 4.146 0.02 . 2 . . . . . . . . . 4910 1 112 . 1 1 18 18 GLY HA3 H 1 3.528 0.02 . 2 . . . . . . . . . 4910 1 113 . 1 1 18 18 GLY N N 15 103.917 0.2 . 1 . . . . . . . . . 4910 1 114 . 1 1 19 19 LYS H H 1 7.713 0.02 . 1 . . . . . . . . . 4910 1 115 . 1 1 19 19 LYS HA H 1 4.663 0.02 . 1 . . . . . . . . . 4910 1 116 . 1 1 19 19 LYS HB2 H 1 1.758 0.02 . 2 . . . . . . . . . 4910 1 117 . 1 1 19 19 LYS HB3 H 1 1.37 0.02 . 2 . . . . . . . . . 4910 1 118 . 1 1 19 19 LYS HG2 H 1 1.196 0.02 . 1 . . . . . . . . . 4910 1 119 . 1 1 19 19 LYS HG3 H 1 1.196 0.02 . 1 . . . . . . . . . 4910 1 120 . 1 1 19 19 LYS HD2 H 1 1.615 0.02 . 1 . . . . . . . . . 4910 1 121 . 1 1 19 19 LYS HD3 H 1 1.615 0.02 . 1 . . . . . . . . . 4910 1 122 . 1 1 19 19 LYS HE2 H 1 2.95 0.02 . 1 . . . . . . . . . 4910 1 123 . 1 1 19 19 LYS HE3 H 1 2.95 0.02 . 1 . . . . . . . . . 4910 1 124 . 1 1 19 19 LYS N N 15 119.685 0.2 . 1 . . . . . . . . . 4910 1 125 . 1 1 21 21 PHE H H 1 8.179 0.02 . 1 . . . . . . . . . 4910 1 126 . 1 1 21 21 PHE HA H 1 4.64 0.02 . 1 . . . . . . . . . 4910 1 127 . 1 1 21 21 PHE HB2 H 1 3.082 0.02 . 1 . . . . . . . . . 4910 1 128 . 1 1 21 21 PHE HB3 H 1 3.082 0.02 . 1 . . . . . . . . . 4910 1 129 . 1 1 21 21 PHE HD1 H 1 7.372 0.02 . 1 . . . . . . . . . 4910 1 130 . 1 1 21 21 PHE HD2 H 1 7.372 0.02 . 1 . . . . . . . . . 4910 1 131 . 1 1 21 21 PHE HE1 H 1 7.454 0.02 . 1 . . . . . . . . . 4910 1 132 . 1 1 21 21 PHE HE2 H 1 7.454 0.02 . 1 . . . . . . . . . 4910 1 133 . 1 1 21 21 PHE N N 15 128.064 0.2 . 1 . . . . . . . . . 4910 1 134 . 1 1 22 22 CYS H H 1 8.333 0.02 . 1 . . . . . . . . . 4910 1 135 . 1 1 22 22 CYS HA H 1 4.299 0.02 . 1 . . . . . . . . . 4910 1 136 . 1 1 22 22 CYS HB2 H 1 2.641 0.02 . 1 . . . . . . . . . 4910 1 137 . 1 1 22 22 CYS HB3 H 1 2.641 0.02 . 1 . . . . . . . . . 4910 1 138 . 1 1 22 22 CYS N N 15 122.885 0.2 . 1 . . . . . . . . . 4910 1 139 . 1 1 24 24 GLN H H 1 8.514 0.02 . 1 . . . . . . . . . 4910 1 140 . 1 1 24 24 GLN HA H 1 4.578 0.02 . 1 . . . . . . . . . 4910 1 141 . 1 1 24 24 GLN HB2 H 1 1.929 0.02 . 1 . . . . . . . . . 4910 1 142 . 1 1 24 24 GLN HB3 H 1 1.929 0.02 . 1 . . . . . . . . . 4910 1 143 . 1 1 24 24 GLN HG2 H 1 2.346 0.02 . 1 . . . . . . . . . 4910 1 144 . 1 1 24 24 GLN HG3 H 1 2.346 0.02 . 1 . . . . . . . . . 4910 1 145 . 1 1 24 24 GLN HE21 H 1 7.456 0.02 . 2 . . . . . . . . . 4910 1 146 . 1 1 24 24 GLN HE22 H 1 6.83 0.02 . 2 . . . . . . . . . 4910 1 147 . 1 1 24 24 GLN N N 15 117.267 0.2 . 1 . . . . . . . . . 4910 1 148 . 1 1 24 24 GLN NE2 N 15 112.695 0.2 . 1 . . . . . . . . . 4910 1 149 . 1 1 25 25 ASP H H 1 7.984 0.02 . 1 . . . . . . . . . 4910 1 150 . 1 1 25 25 ASP HA H 1 4.526 0.02 . 1 . . . . . . . . . 4910 1 151 . 1 1 25 25 ASP HB3 H 1 2.682 0.02 . 1 . . . . . . . . . 4910 1 152 . 1 1 25 25 ASP HB2 H 1 2.682 0.02 . 1 . . . . . . . . . 4910 1 153 . 1 1 25 25 ASP N N 15 119.946 0.2 . 1 . . . . . . . . . 4910 1 154 . 1 1 26 26 LYS H H 1 8.632 0.02 . 1 . . . . . . . . . 4910 1 155 . 1 1 26 26 LYS HA H 1 4.159 0.02 . 1 . . . . . . . . . 4910 1 156 . 1 1 26 26 LYS HB2 H 1 1.89 0.02 . 1 . . . . . . . . . 4910 1 157 . 1 1 26 26 LYS HB3 H 1 1.89 0.02 . 1 . . . . . . . . . 4910 1 158 . 1 1 26 26 LYS HG2 H 1 1.526 0.02 . 1 . . . . . . . . . 4910 1 159 . 1 1 26 26 LYS HG3 H 1 1.526 0.02 . 1 . . . . . . . . . 4910 1 160 . 1 1 26 26 LYS HD2 H 1 1.695 0.02 . 1 . . . . . . . . . 4910 1 161 . 1 1 26 26 LYS HD3 H 1 1.695 0.02 . 1 . . . . . . . . . 4910 1 162 . 1 1 26 26 LYS N N 15 124.086 0.2 . 1 . . . . . . . . . 4910 1 163 . 1 1 27 27 LYS H H 1 8.71 0.02 . 1 . . . . . . . . . 4910 1 164 . 1 1 27 27 LYS HA H 1 4.096 0.02 . 1 . . . . . . . . . 4910 1 165 . 1 1 27 27 LYS HB2 H 1 1.679 0.02 . 2 . . . . . . . . . 4910 1 166 . 1 1 27 27 LYS HB3 H 1 1.539 0.02 . 2 . . . . . . . . . 4910 1 167 . 1 1 27 27 LYS HG2 H 1 0.992 0.02 . 2 . . . . . . . . . 4910 1 168 . 1 1 27 27 LYS HG3 H 1 0.757 0.02 . 2 . . . . . . . . . 4910 1 169 . 1 1 27 27 LYS HD2 H 1 1.425 0.02 . 1 . . . . . . . . . 4910 1 170 . 1 1 27 27 LYS HD3 H 1 1.425 0.02 . 1 . . . . . . . . . 4910 1 171 . 1 1 27 27 LYS N N 15 119.101 0.2 . 1 . . . . . . . . . 4910 1 172 . 1 1 28 28 PHE H H 1 7.721 0.02 . 1 . . . . . . . . . 4910 1 173 . 1 1 28 28 PHE HA H 1 4.227 0.02 . 1 . . . . . . . . . 4910 1 174 . 1 1 28 28 PHE HB2 H 1 2.997 0.02 . 2 . . . . . . . . . 4910 1 175 . 1 1 28 28 PHE HB3 H 1 2.607 0.02 . 2 . . . . . . . . . 4910 1 176 . 1 1 28 28 PHE HD1 H 1 7.33 0.02 . 1 . . . . . . . . . 4910 1 177 . 1 1 28 28 PHE HD2 H 1 7.33 0.02 . 1 . . . . . . . . . 4910 1 178 . 1 1 28 28 PHE HE1 H 1 7.257 0.02 . 1 . . . . . . . . . 4910 1 179 . 1 1 28 28 PHE HE2 H 1 7.257 0.02 . 1 . . . . . . . . . 4910 1 180 . 1 1 28 28 PHE N N 15 118.37 0.2 . 1 . . . . . . . . . 4910 1 181 . 1 1 29 29 PHE H H 1 7.523 0.02 . 1 . . . . . . . . . 4910 1 182 . 1 1 29 29 PHE HA H 1 4.566 0.02 . 1 . . . . . . . . . 4910 1 183 . 1 1 29 29 PHE HB2 H 1 3.416 0.02 . 2 . . . . . . . . . 4910 1 184 . 1 1 29 29 PHE HB3 H 1 2.956 0.02 . 2 . . . . . . . . . 4910 1 185 . 1 1 29 29 PHE HD1 H 1 7.328 0.02 . 1 . . . . . . . . . 4910 1 186 . 1 1 29 29 PHE HD2 H 1 7.328 0.02 . 1 . . . . . . . . . 4910 1 187 . 1 1 29 29 PHE N N 15 112.705 0.2 . 1 . . . . . . . . . 4910 1 188 . 1 1 30 30 GLN H H 1 7.567 0.02 . 1 . . . . . . . . . 4910 1 189 . 1 1 30 30 GLN HA H 1 4.402 0.02 . 1 . . . . . . . . . 4910 1 190 . 1 1 30 30 GLN HB2 H 1 2.069 0.02 . 1 . . . . . . . . . 4910 1 191 . 1 1 30 30 GLN HB3 H 1 2.069 0.02 . 1 . . . . . . . . . 4910 1 192 . 1 1 30 30 GLN HG2 H 1 2.475 0.02 . 2 . . . . . . . . . 4910 1 193 . 1 1 30 30 GLN HG3 H 1 2.354 0.02 . 2 . . . . . . . . . 4910 1 194 . 1 1 30 30 GLN HE21 H 1 7.439 0.02 . 2 . . . . . . . . . 4910 1 195 . 1 1 30 30 GLN HE22 H 1 6.876 0.02 . 2 . . . . . . . . . 4910 1 196 . 1 1 30 30 GLN N N 15 115.984 0.2 . 1 . . . . . . . . . 4910 1 197 . 1 1 30 30 GLN NE2 N 15 111.769 0.2 . 1 . . . . . . . . . 4910 1 198 . 1 1 31 31 SER H H 1 7.719 0.02 . 1 . . . . . . . . . 4910 1 199 . 1 1 31 31 SER HA H 1 4.769 0.02 . 1 . . . . . . . . . 4910 1 200 . 1 1 31 31 SER HB2 H 1 4.193 0.02 . 2 . . . . . . . . . 4910 1 201 . 1 1 31 31 SER HB3 H 1 3.929 0.02 . 2 . . . . . . . . . 4910 1 202 . 1 1 31 31 SER N N 15 112.316 0.2 . 1 . . . . . . . . . 4910 1 203 . 1 1 33 33 ASP H H 1 8.494 0.02 . 1 . . . . . . . . . 4910 1 204 . 1 1 33 33 ASP HA H 1 4.44 0.02 . 1 . . . . . . . . . 4910 1 205 . 1 1 33 33 ASP HB2 H 1 2.616 0.02 . 1 . . . . . . . . . 4910 1 206 . 1 1 33 33 ASP HB3 H 1 2.616 0.02 . 1 . . . . . . . . . 4910 1 207 . 1 1 33 33 ASP N N 15 117.189 0.2 . 1 . . . . . . . . . 4910 1 208 . 1 1 34 34 GLY H H 1 8.096 0.02 . 1 . . . . . . . . . 4910 1 209 . 1 1 34 34 GLY HA2 H 1 4.419 0.02 . 2 . . . . . . . . . 4910 1 210 . 1 1 34 34 GLY HA3 H 1 3.967 0.02 . 2 . . . . . . . . . 4910 1 211 . 1 1 34 34 GLY N N 15 111.248 0.2 . 1 . . . . . . . . . 4910 1 212 . 1 1 35 35 ILE H H 1 8.052 0.02 . 1 . . . . . . . . . 4910 1 213 . 1 1 35 35 ILE HA H 1 3.615 0.02 . 1 . . . . . . . . . 4910 1 214 . 1 1 35 35 ILE HB H 1 1.952 0.02 . 1 . . . . . . . . . 4910 1 215 . 1 1 35 35 ILE HG12 H 1 1.154 0.02 . 1 . . . . . . . . . 4910 1 216 . 1 1 35 35 ILE HG13 H 1 1.154 0.02 . 1 . . . . . . . . . 4910 1 217 . 1 1 35 35 ILE HG21 H 1 0.949 0.02 . 1 . . . . . . . . . 4910 1 218 . 1 1 35 35 ILE HG22 H 1 0.949 0.02 . 1 . . . . . . . . . 4910 1 219 . 1 1 35 35 ILE HG23 H 1 0.949 0.02 . 1 . . . . . . . . . 4910 1 220 . 1 1 35 35 ILE HD11 H 1 0.915 0.02 . 1 . . . . . . . . . 4910 1 221 . 1 1 35 35 ILE HD12 H 1 0.915 0.02 . 1 . . . . . . . . . 4910 1 222 . 1 1 35 35 ILE HD13 H 1 0.915 0.02 . 1 . . . . . . . . . 4910 1 223 . 1 1 35 35 ILE N N 15 123.229 0.2 . 1 . . . . . . . . . 4910 1 224 . 1 1 36 36 MET H H 1 8.358 0.02 . 1 . . . . . . . . . 4910 1 225 . 1 1 36 36 MET HA H 1 4.253 0.02 . 1 . . . . . . . . . 4910 1 226 . 1 1 36 36 MET HB2 H 1 2.299 0.02 . 2 . . . . . . . . . 4910 1 227 . 1 1 36 36 MET HB3 H 1 2.19 0.02 . 2 . . . . . . . . . 4910 1 228 . 1 1 36 36 MET HG2 H 1 2.819 0.02 . 2 . . . . . . . . . 4910 1 229 . 1 1 36 36 MET HG3 H 1 2.667 0.02 . 2 . . . . . . . . . 4910 1 230 . 1 1 36 36 MET N N 15 118.955 0.2 . 1 . . . . . . . . . 4910 1 231 . 1 1 37 37 PHE H H 1 8.014 0.02 . 1 . . . . . . . . . 4910 1 232 . 1 1 37 37 PHE HA H 1 4.402 0.02 . 1 . . . . . . . . . 4910 1 233 . 1 1 37 37 PHE HB2 H 1 3.453 0.02 . 2 . . . . . . . . . 4910 1 234 . 1 1 37 37 PHE HB3 H 1 3.342 0.02 . 2 . . . . . . . . . 4910 1 235 . 1 1 37 37 PHE N N 15 122.212 0.2 . 1 . . . . . . . . . 4910 1 236 . 1 1 38 38 ILE H H 1 8.305 0.02 . 1 . . . . . . . . . 4910 1 237 . 1 1 38 38 ILE HA H 1 3.491 0.02 . 1 . . . . . . . . . 4910 1 238 . 1 1 38 38 ILE HB H 1 1.94 0.02 . 1 . . . . . . . . . 4910 1 239 . 1 1 38 38 ILE HG12 H 1 1.408 0.02 . 2 . . . . . . . . . 4910 1 240 . 1 1 38 38 ILE HG13 H 1 1.185 0.02 . 2 . . . . . . . . . 4910 1 241 . 1 1 38 38 ILE HG21 H 1 0.829 0.02 . 1 . . . . . . . . . 4910 1 242 . 1 1 38 38 ILE HG22 H 1 0.829 0.02 . 1 . . . . . . . . . 4910 1 243 . 1 1 38 38 ILE HG23 H 1 0.829 0.02 . 1 . . . . . . . . . 4910 1 244 . 1 1 38 38 ILE HD11 H 1 0.421 0.02 . 1 . . . . . . . . . 4910 1 245 . 1 1 38 38 ILE HD12 H 1 0.421 0.02 . 1 . . . . . . . . . 4910 1 246 . 1 1 38 38 ILE HD13 H 1 0.421 0.02 . 1 . . . . . . . . . 4910 1 247 . 1 1 38 38 ILE N N 15 119.005 0.2 . 1 . . . . . . . . . 4910 1 248 . 1 1 39 39 ASN H H 1 8.449 0.02 . 1 . . . . . . . . . 4910 1 249 . 1 1 39 39 ASN HA H 1 4.45 0.02 . 1 . . . . . . . . . 4910 1 250 . 1 1 39 39 ASN HB2 H 1 2.88 0.02 . 1 . . . . . . . . . 4910 1 251 . 1 1 39 39 ASN HB3 H 1 2.88 0.02 . 1 . . . . . . . . . 4910 1 252 . 1 1 39 39 ASN N N 15 121.208 0.2 . 1 . . . . . . . . . 4910 1 253 . 1 1 40 40 LYS H H 1 8.401 0.02 . 1 . . . . . . . . . 4910 1 254 . 1 1 40 40 LYS HA H 1 3.944 0.02 . 1 . . . . . . . . . 4910 1 255 . 1 1 40 40 LYS HB2 H 1 2.022 0.02 . 2 . . . . . . . . . 4910 1 256 . 1 1 40 40 LYS HB3 H 1 1.933 0.02 . 2 . . . . . . . . . 4910 1 257 . 1 1 40 40 LYS HG2 H 1 1.595 0.02 . 1 . . . . . . . . . 4910 1 258 . 1 1 40 40 LYS HG3 H 1 1.595 0.02 . 1 . . . . . . . . . 4910 1 259 . 1 1 40 40 LYS HD2 H 1 1.823 0.02 . 1 . . . . . . . . . 4910 1 260 . 1 1 40 40 LYS HD3 H 1 1.823 0.02 . 1 . . . . . . . . . 4910 1 261 . 1 1 40 40 LYS HE2 H 1 3.039 0.02 . 1 . . . . . . . . . 4910 1 262 . 1 1 40 40 LYS HE3 H 1 3.039 0.02 . 1 . . . . . . . . . 4910 1 263 . 1 1 40 40 LYS N N 15 123.147 0.2 . 1 . . . . . . . . . 4910 1 264 . 1 1 41 41 CYS H H 1 8.01 0.02 . 1 . . . . . . . . . 4910 1 265 . 1 1 41 41 CYS HA H 1 3.516 0.02 . 1 . . . . . . . . . 4910 1 266 . 1 1 41 41 CYS HB2 H 1 2.865 0.02 . 2 . . . . . . . . . 4910 1 267 . 1 1 41 41 CYS HB3 H 1 2.19 0.02 . 2 . . . . . . . . . 4910 1 268 . 1 1 41 41 CYS N N 15 120.58 0.2 . 1 . . . . . . . . . 4910 1 269 . 1 1 42 42 ALA H H 1 7.675 0.02 . 1 . . . . . . . . . 4910 1 270 . 1 1 42 42 ALA HA H 1 3.841 0.02 . 1 . . . . . . . . . 4910 1 271 . 1 1 42 42 ALA HB1 H 1 1.471 0.02 . 1 . . . . . . . . . 4910 1 272 . 1 1 42 42 ALA HB2 H 1 1.471 0.02 . 1 . . . . . . . . . 4910 1 273 . 1 1 42 42 ALA HB3 H 1 1.471 0.02 . 1 . . . . . . . . . 4910 1 274 . 1 1 42 42 ALA N N 15 120.227 0.2 . 1 . . . . . . . . . 4910 1 275 . 1 1 43 43 THR H H 1 7.834 0.02 . 1 . . . . . . . . . 4910 1 276 . 1 1 43 43 THR HA H 1 3.955 0.02 . 1 . . . . . . . . . 4910 1 277 . 1 1 43 43 THR HB H 1 4.263 0.02 . 1 . . . . . . . . . 4910 1 278 . 1 1 43 43 THR HG21 H 1 1.225 0.02 . 1 . . . . . . . . . 4910 1 279 . 1 1 43 43 THR HG22 H 1 1.225 0.02 . 1 . . . . . . . . . 4910 1 280 . 1 1 43 43 THR HG23 H 1 1.225 0.02 . 1 . . . . . . . . . 4910 1 281 . 1 1 43 43 THR N N 15 115.791 0.2 . 1 . . . . . . . . . 4910 1 282 . 1 1 44 44 CYS H H 1 8.165 0.02 . 1 . . . . . . . . . 4910 1 283 . 1 1 44 44 CYS HA H 1 4.45 0.02 . 1 . . . . . . . . . 4910 1 284 . 1 1 44 44 CYS HB2 H 1 2.731 0.02 . 1 . . . . . . . . . 4910 1 285 . 1 1 44 44 CYS HB3 H 1 2.731 0.02 . 1 . . . . . . . . . 4910 1 286 . 1 1 44 44 CYS N N 15 119.236 0.2 . 1 . . . . . . . . . 4910 1 287 . 1 1 45 45 LYS H H 1 8.244 0.02 . 1 . . . . . . . . . 4910 1 288 . 1 1 45 45 LYS HA H 1 3.767 0.02 . 1 . . . . . . . . . 4910 1 289 . 1 1 45 45 LYS HB2 H 1 1.942 0.02 . 1 . . . . . . . . . 4910 1 290 . 1 1 45 45 LYS HB3 H 1 1.942 0.02 . 1 . . . . . . . . . 4910 1 291 . 1 1 45 45 LYS HG2 H 1 1.208 0.02 . 1 . . . . . . . . . 4910 1 292 . 1 1 45 45 LYS HG3 H 1 1.208 0.02 . 1 . . . . . . . . . 4910 1 293 . 1 1 45 45 LYS HD2 H 1 1.703 0.02 . 1 . . . . . . . . . 4910 1 294 . 1 1 45 45 LYS HD3 H 1 1.703 0.02 . 1 . . . . . . . . . 4910 1 295 . 1 1 45 45 LYS N N 15 123.721 0.2 . 1 . . . . . . . . . 4910 1 296 . 1 1 46 46 MET H H 1 7.471 0.02 . 1 . . . . . . . . . 4910 1 297 . 1 1 46 46 MET HA H 1 4.206 0.02 . 1 . . . . . . . . . 4910 1 298 . 1 1 46 46 MET HB2 H 1 2.19 0.02 . 1 . . . . . . . . . 4910 1 299 . 1 1 46 46 MET HB3 H 1 2.19 0.02 . 1 . . . . . . . . . 4910 1 300 . 1 1 46 46 MET HG2 H 1 2.697 0.02 . 2 . . . . . . . . . 4910 1 301 . 1 1 46 46 MET HG3 H 1 2.609 0.02 . 2 . . . . . . . . . 4910 1 302 . 1 1 46 46 MET N N 15 114.914 0.2 . 1 . . . . . . . . . 4910 1 303 . 1 1 47 47 ILE H H 1 7.413 0.02 . 1 . . . . . . . . . 4910 1 304 . 1 1 47 47 ILE HA H 1 3.796 0.02 . 1 . . . . . . . . . 4910 1 305 . 1 1 47 47 ILE HB H 1 1.977 0.02 . 1 . . . . . . . . . 4910 1 306 . 1 1 47 47 ILE HG12 H 1 1.7 0.02 . 2 . . . . . . . . . 4910 1 307 . 1 1 47 47 ILE HG13 H 1 1.201 0.02 . 2 . . . . . . . . . 4910 1 308 . 1 1 47 47 ILE HG21 H 1 0.863 0.02 . 1 . . . . . . . . . 4910 1 309 . 1 1 47 47 ILE HG22 H 1 0.863 0.02 . 1 . . . . . . . . . 4910 1 310 . 1 1 47 47 ILE HG23 H 1 0.863 0.02 . 1 . . . . . . . . . 4910 1 311 . 1 1 47 47 ILE HD11 H 1 0.881 0.02 . 1 . . . . . . . . . 4910 1 312 . 1 1 47 47 ILE HD12 H 1 0.881 0.02 . 1 . . . . . . . . . 4910 1 313 . 1 1 47 47 ILE HD13 H 1 0.881 0.02 . 1 . . . . . . . . . 4910 1 314 . 1 1 47 47 ILE N N 15 118.77 0.2 . 1 . . . . . . . . . 4910 1 315 . 1 1 49 49 GLU H H 1 8.013 0.02 . 1 . . . . . . . . . 4910 1 316 . 1 1 49 49 GLU HA H 1 4.117 0.02 . 1 . . . . . . . . . 4910 1 317 . 1 1 49 49 GLU HB2 H 1 2.098 0.02 . 1 . . . . . . . . . 4910 1 318 . 1 1 49 49 GLU HB3 H 1 2.098 0.02 . 1 . . . . . . . . . 4910 1 319 . 1 1 49 49 GLU HG2 H 1 2.671 0.02 . 2 . . . . . . . . . 4910 1 320 . 1 1 49 49 GLU HG3 H 1 2.468 0.02 . 2 . . . . . . . . . 4910 1 321 . 1 1 49 49 GLU N N 15 116.888 0.2 . 1 . . . . . . . . . 4910 1 322 . 1 1 50 50 LYS H H 1 7.569 0.02 . 1 . . . . . . . . . 4910 1 323 . 1 1 50 50 LYS HA H 1 4.214 0.02 . 1 . . . . . . . . . 4910 1 324 . 1 1 50 50 LYS HB2 H 1 1.945 0.02 . 1 . . . . . . . . . 4910 1 325 . 1 1 50 50 LYS HB3 H 1 1.945 0.02 . 1 . . . . . . . . . 4910 1 326 . 1 1 50 50 LYS HG2 H 1 1.508 0.02 . 1 . . . . . . . . . 4910 1 327 . 1 1 50 50 LYS HG3 H 1 1.508 0.02 . 1 . . . . . . . . . 4910 1 328 . 1 1 50 50 LYS HD2 H 1 1.722 0.02 . 1 . . . . . . . . . 4910 1 329 . 1 1 50 50 LYS HD3 H 1 1.722 0.02 . 1 . . . . . . . . . 4910 1 330 . 1 1 50 50 LYS HE2 H 1 3.004 0.02 . 1 . . . . . . . . . 4910 1 331 . 1 1 50 50 LYS HE3 H 1 3.004 0.02 . 1 . . . . . . . . . 4910 1 332 . 1 1 50 50 LYS N N 15 119.836 0.2 . 1 . . . . . . . . . 4910 1 333 . 1 1 51 51 GLU H H 1 7.987 0.02 . 1 . . . . . . . . . 4910 1 334 . 1 1 51 51 GLU HB2 H 1 2.015 0.02 . 1 . . . . . . . . . 4910 1 335 . 1 1 51 51 GLU HB3 H 1 2.015 0.02 . 1 . . . . . . . . . 4910 1 336 . 1 1 51 51 GLU HG2 H 1 2.423 0.02 . 2 . . . . . . . . . 4910 1 337 . 1 1 51 51 GLU HG3 H 1 2.343 0.02 . 2 . . . . . . . . . 4910 1 338 . 1 1 51 51 GLU N N 15 119.829 0.2 . 1 . . . . . . . . . 4910 1 339 . 1 1 52 52 ALA H H 1 7.923 0.02 . 1 . . . . . . . . . 4910 1 340 . 1 1 52 52 ALA HA H 1 4.238 0.02 . 1 . . . . . . . . . 4910 1 341 . 1 1 52 52 ALA HB1 H 1 1.442 0.02 . 1 . . . . . . . . . 4910 1 342 . 1 1 52 52 ALA HB2 H 1 1.442 0.02 . 1 . . . . . . . . . 4910 1 343 . 1 1 52 52 ALA HB3 H 1 1.442 0.02 . 1 . . . . . . . . . 4910 1 344 . 1 1 52 52 ALA N N 15 123.279 0.2 . 1 . . . . . . . . . 4910 1 345 . 1 1 53 53 LYS H H 1 8.001 0.02 . 1 . . . . . . . . . 4910 1 346 . 1 1 53 53 LYS HA H 1 4.33 0.02 . 1 . . . . . . . . . 4910 1 347 . 1 1 53 53 LYS HB2 H 1 1.841 0.02 . 1 . . . . . . . . . 4910 1 348 . 1 1 53 53 LYS HB3 H 1 1.841 0.02 . 1 . . . . . . . . . 4910 1 349 . 1 1 53 53 LYS HG2 H 1 1.457 0.02 . 1 . . . . . . . . . 4910 1 350 . 1 1 53 53 LYS HG3 H 1 1.457 0.02 . 1 . . . . . . . . . 4910 1 351 . 1 1 53 53 LYS HD2 H 1 1.704 0.02 . 1 . . . . . . . . . 4910 1 352 . 1 1 53 53 LYS HD3 H 1 1.704 0.02 . 1 . . . . . . . . . 4910 1 353 . 1 1 53 53 LYS HE2 H 1 3.011 0.02 . 1 . . . . . . . . . 4910 1 354 . 1 1 53 53 LYS HE3 H 1 3.011 0.02 . 1 . . . . . . . . . 4910 1 355 . 1 1 53 53 LYS N N 15 119.569 0.2 . 1 . . . . . . . . . 4910 1 356 . 1 1 54 54 SER H H 1 8.255 0.02 . 1 . . . . . . . . . 4910 1 357 . 1 1 54 54 SER HA H 1 4.463 0.02 . 1 . . . . . . . . . 4910 1 358 . 1 1 54 54 SER HB2 H 1 3.907 0.02 . 1 . . . . . . . . . 4910 1 359 . 1 1 54 54 SER HB3 H 1 3.907 0.02 . 1 . . . . . . . . . 4910 1 360 . 1 1 54 54 SER N N 15 117.314 0.2 . 1 . . . . . . . . . 4910 1 361 . 1 1 55 55 GLN H H 1 7.96 0.02 . 1 . . . . . . . . . 4910 1 362 . 1 1 55 55 GLN HA H 1 4.196 0.02 . 1 . . . . . . . . . 4910 1 363 . 1 1 55 55 GLN HB2 H 1 2.135 0.02 . 2 . . . . . . . . . 4910 1 364 . 1 1 55 55 GLN HB3 H 1 1.962 0.02 . 2 . . . . . . . . . 4910 1 365 . 1 1 55 55 GLN HG2 H 1 2.311 0.02 . 1 . . . . . . . . . 4910 1 366 . 1 1 55 55 GLN HG3 H 1 2.311 0.02 . 1 . . . . . . . . . 4910 1 367 . 1 1 55 55 GLN N N 15 126.692 0.2 . 1 . . . . . . . . . 4910 1 stop_ save_ save_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 4910 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 ; several unassigned signals were observed that may correspond to peptide fragments due to self degradation of the protein ; _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 2D-TOCSY . . . 4910 2 2 2D-NOESY . . . 4910 2 3 2D-COSY . . . 4910 2 4 1H-15N-HSQC . . . 4910 2 5 HNHA . . . 4910 2 6 3D-1H-15N-TOCSY-HSQC . . . 4910 2 7 3D-1H-15N-NOESY-HSQC . . . 4910 2 8 3D-1H-15N/1H-15N-HMQC-NOESY-HSQC . . . 4910 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _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 LYS HA H 1 4.074 0.02 . 1 . . . . . . . . . 4910 2 2 . 1 1 1 1 LYS HB2 H 1 1.932 0.02 . 1 . . . . . . . . . 4910 2 3 . 1 1 1 1 LYS HB3 H 1 1.932 0.02 . 1 . . . . . . . . . 4910 2 4 . 1 1 1 1 LYS HG2 H 1 1.434 0.02 . 1 . . . . . . . . . 4910 2 5 . 1 1 1 1 LYS HG3 H 1 1.434 0.02 . 1 . . . . . . . . . 4910 2 6 . 1 1 1 1 LYS HD2 H 1 1.714 0.02 . 1 . . . . . . . . . 4910 2 7 . 1 1 1 1 LYS HD3 H 1 1.714 0.02 . 1 . . . . . . . . . 4910 2 8 . 1 1 1 1 LYS HE2 H 1 3.011 0.02 . 1 . . . . . . . . . 4910 2 9 . 1 1 1 1 LYS HE3 H 1 3.011 0.02 . 1 . . . . . . . . . 4910 2 10 . 1 1 2 2 ASN HA H 1 4.707 0.02 . 1 . . . . . . . . . 4910 2 11 . 1 1 2 2 ASN HB2 H 1 2.831 0.02 . 2 . . . . . . . . . 4910 2 12 . 1 1 2 2 ASN HB3 H 1 2.681 0.02 . 2 . . . . . . . . . 4910 2 13 . 1 1 2 2 ASN HD21 H 1 7.681 0.02 . 2 . . . . . . . . . 4910 2 14 . 1 1 2 2 ASN HD22 H 1 6.982 0.02 . 2 . . . . . . . . . 4910 2 15 . 1 1 3 3 GLU H H 1 8.934 0.02 . 1 . . . . . . . . . 4910 2 16 . 1 1 3 3 GLU HA H 1 4.237 0.02 . 1 . . . . . . . . . 4910 2 17 . 1 1 3 3 GLU HB2 H 1 2.082 0.02 . 2 . . . . . . . . . 4910 2 18 . 1 1 3 3 GLU HB3 H 1 1.972 0.02 . 2 . . . . . . . . . 4910 2 19 . 1 1 3 3 GLU HG2 H 1 2.349 0.02 . 1 . . . . . . . . . 4910 2 20 . 1 1 3 3 GLU HG3 H 1 2.349 0.02 . 1 . . . . . . . . . 4910 2 21 . 1 1 4 4 ASP H H 1 8.376 0.02 . 1 . . . . . . . . . 4910 2 22 . 1 1 4 4 ASP HA H 1 4.468 0.02 . 1 . . . . . . . . . 4910 2 23 . 1 1 4 4 ASP HB2 H 1 2.709 0.02 . 1 . . . . . . . . . 4910 2 24 . 1 1 4 4 ASP HB3 H 1 2.709 0.02 . 1 . . . . . . . . . 4910 2 25 . 1 1 5 5 GLN H H 1 8.189 0.02 . 1 . . . . . . . . . 4910 2 26 . 1 1 5 5 GLN HA H 1 4.115 0.02 . 1 . . . . . . . . . 4910 2 27 . 1 1 5 5 GLN HB2 H 1 2.118 0.02 . 2 . . . . . . . . . 4910 2 28 . 1 1 5 5 GLN HB3 H 1 2.027 0.02 . 2 . . . . . . . . . 4910 2 29 . 1 1 5 5 GLN HG2 H 1 2.364 0.02 . 1 . . . . . . . . . 4910 2 30 . 1 1 5 5 GLN HG3 H 1 2.364 0.02 . 1 . . . . . . . . . 4910 2 31 . 1 1 6 6 GLU H H 1 8.268 0.02 . 1 . . . . . . . . . 4910 2 32 . 1 1 6 6 GLU HA H 1 4.139 0.02 . 1 . . . . . . . . . 4910 2 33 . 1 1 6 6 GLU HB2 H 1 2.062 0.02 . 1 . . . . . . . . . 4910 2 34 . 1 1 6 6 GLU HB3 H 1 2.062 0.02 . 1 . . . . . . . . . 4910 2 35 . 1 1 6 6 GLU HG2 H 1 2.354 0.02 . 1 . . . . . . . . . 4910 2 36 . 1 1 6 6 GLU HG3 H 1 2.354 0.02 . 1 . . . . . . . . . 4910 2 37 . 1 1 7 7 MET H H 1 8.357 0.02 . 1 . . . . . . . . . 4910 2 38 . 1 1 7 7 MET HA H 1 4.355 0.02 . 1 . . . . . . . . . 4910 2 39 . 1 1 7 7 MET HB2 H 1 2.208 0.02 . 1 . . . . . . . . . 4910 2 40 . 1 1 7 7 MET HB3 H 1 2.208 0.02 . 1 . . . . . . . . . 4910 2 41 . 1 1 7 7 MET HG2 H 1 2.643 0.02 . 1 . . . . . . . . . 4910 2 42 . 1 1 7 7 MET HG3 H 1 2.643 0.02 . 1 . . . . . . . . . 4910 2 43 . 1 1 11 11 PHE H H 1 7.604 0.02 . 1 . . . . . . . . . 4910 2 44 . 1 1 11 11 PHE HA H 1 4.745 0.02 . 1 . . . . . . . . . 4910 2 45 . 1 1 11 11 PHE HB2 H 1 3.646 0.02 . 2 . . . . . . . . . 4910 2 46 . 1 1 11 11 PHE HB3 H 1 2.727 0.02 . 2 . . . . . . . . . 4910 2 47 . 1 1 11 11 PHE HD1 H 1 7.121 0.02 . 1 . . . . . . . . . 4910 2 48 . 1 1 11 11 PHE HD2 H 1 7.121 0.02 . 1 . . . . . . . . . 4910 2 49 . 1 1 11 11 PHE HE1 H 1 6.602 0.02 . 1 . . . . . . . . . 4910 2 50 . 1 1 11 11 PHE HE2 H 1 6.602 0.02 . 1 . . . . . . . . . 4910 2 51 . 1 1 11 11 PHE HZ H 1 6.784 0.02 . 1 . . . . . . . . . 4910 2 52 . 1 1 12 12 GLN H H 1 7.568 0.02 . 1 . . . . . . . . . 4910 2 53 . 1 1 12 12 GLN HA H 1 3.887 0.02 . 1 . . . . . . . . . 4910 2 54 . 1 1 12 12 GLN HB2 H 1 2.120 0.02 . 2 . . . . . . . . . 4910 2 55 . 1 1 12 12 GLN HB3 H 1 2.078 0.02 . 2 . . . . . . . . . 4910 2 56 . 1 1 12 12 GLN HG2 H 1 2.502 0.02 . 1 . . . . . . . . . 4910 2 57 . 1 1 12 12 GLN HG3 H 1 2.502 0.02 . 1 . . . . . . . . . 4910 2 58 . 1 1 12 12 GLN HE21 H 1 7.397 0.02 . 2 . . . . . . . . . 4910 2 59 . 1 1 12 12 GLN HE22 H 1 6.832 0.02 . 2 . . . . . . . . . 4910 2 60 . 1 1 13 13 ALA H H 1 8.044 0.02 . 1 . . . . . . . . . 4910 2 61 . 1 1 13 13 ALA HA H 1 4.110 0.02 . 1 . . . . . . . . . 4910 2 62 . 1 1 13 13 ALA HB1 H 1 1.036 0.02 . 1 . . . . . . . . . 4910 2 63 . 1 1 13 13 ALA HB2 H 1 1.036 0.02 . 1 . . . . . . . . . 4910 2 64 . 1 1 13 13 ALA HB3 H 1 1.036 0.02 . 1 . . . . . . . . . 4910 2 65 . 1 1 14 14 PHE H H 1 7.725 0.02 . 1 . . . . . . . . . 4910 2 66 . 1 1 14 14 PHE HA H 1 4.795 0.02 . 1 . . . . . . . . . 4910 2 67 . 1 1 14 14 PHE HB2 H 1 3.980 0.02 . 2 . . . . . . . . . 4910 2 68 . 1 1 14 14 PHE HB3 H 1 2.969 0.02 . 2 . . . . . . . . . 4910 2 69 . 1 1 14 14 PHE HD1 H 1 7.469 0.02 . 1 . . . . . . . . . 4910 2 70 . 1 1 14 14 PHE HD2 H 1 7.469 0.02 . 1 . . . . . . . . . 4910 2 71 . 1 1 14 14 PHE HE1 H 1 7.561 0.02 . 1 . . . . . . . . . 4910 2 72 . 1 1 14 14 PHE HE2 H 1 7.561 0.02 . 1 . . . . . . . . . 4910 2 73 . 1 1 15 15 MET H H 1 7.453 0.02 . 1 . . . . . . . . . 4910 2 74 . 1 1 15 15 MET HA H 1 5.188 0.02 . 1 . . . . . . . . . 4910 2 75 . 1 1 15 15 MET HB2 H 1 2.141 0.02 . 2 . . . . . . . . . 4910 2 76 . 1 1 15 15 MET HB3 H 1 1.992 0.02 . 2 . . . . . . . . . 4910 2 77 . 1 1 15 15 MET HG2 H 1 2.689 0.02 . 2 . . . . . . . . . 4910 2 78 . 1 1 15 15 MET HG3 H 1 2.382 0.02 . 2 . . . . . . . . . 4910 2 79 . 1 1 16 16 LYS H H 1 9.507 0.02 . 1 . . . . . . . . . 4910 2 80 . 1 1 16 16 LYS HA H 1 4.587 0.02 . 1 . . . . . . . . . 4910 2 81 . 1 1 16 16 LYS HB2 H 1 1.856 0.02 . 1 . . . . . . . . . 4910 2 82 . 1 1 16 16 LYS HB3 H 1 1.856 0.02 . 1 . . . . . . . . . 4910 2 83 . 1 1 16 16 LYS HG2 H 1 1.433 0.02 . 2 . . . . . . . . . 4910 2 84 . 1 1 16 16 LYS HG3 H 1 1.390 0.02 . 2 . . . . . . . . . 4910 2 85 . 1 1 16 16 LYS HD2 H 1 1.573 0.02 . 1 . . . . . . . . . 4910 2 86 . 1 1 16 16 LYS HD3 H 1 1.573 0.02 . 1 . . . . . . . . . 4910 2 87 . 1 1 16 16 LYS HE2 H 1 2.877 0.02 . 1 . . . . . . . . . 4910 2 88 . 1 1 16 16 LYS HE3 H 1 2.877 0.02 . 1 . . . . . . . . . 4910 2 89 . 1 1 17 17 ASN H H 1 9.556 0.02 . 1 . . . . . . . . . 4910 2 90 . 1 1 17 17 ASN HA H 1 4.417 0.02 . 1 . . . . . . . . . 4910 2 91 . 1 1 17 17 ASN HB2 H 1 3.112 0.02 . 2 . . . . . . . . . 4910 2 92 . 1 1 17 17 ASN HB3 H 1 2.858 0.02 . 2 . . . . . . . . . 4910 2 93 . 1 1 17 17 ASN HD21 H 1 7.635 0.02 . 2 . . . . . . . . . 4910 2 94 . 1 1 17 17 ASN HD22 H 1 6.977 0.02 . 2 . . . . . . . . . 4910 2 95 . 1 1 18 18 GLY H H 1 8.785 0.02 . 1 . . . . . . . . . 4910 2 96 . 1 1 18 18 GLY HA2 H 1 4.148 0.02 . 2 . . . . . . . . . 4910 2 97 . 1 1 18 18 GLY HA3 H 1 3.532 0.02 . 2 . . . . . . . . . 4910 2 98 . 1 1 19 19 LYS H H 1 7.721 0.02 . 1 . . . . . . . . . 4910 2 99 . 1 1 19 19 LYS HA H 1 4.667 0.02 . 1 . . . . . . . . . 4910 2 100 . 1 1 19 19 LYS HB2 H 1 1.761 0.02 . 1 . . . . . . . . . 4910 2 101 . 1 1 19 19 LYS HB3 H 1 1.761 0.02 . 1 . . . . . . . . . 4910 2 102 . 1 1 19 19 LYS HG2 H 1 1.387 0.02 . 2 . . . . . . . . . 4910 2 103 . 1 1 19 19 LYS HG3 H 1 1.199 0.02 . 2 . . . . . . . . . 4910 2 104 . 1 1 19 19 LYS HD2 H 1 1.604 0.02 . 1 . . . . . . . . . 4910 2 105 . 1 1 19 19 LYS HD3 H 1 1.604 0.02 . 1 . . . . . . . . . 4910 2 106 . 1 1 19 19 LYS HE2 H 1 2.966 0.02 . 1 . . . . . . . . . 4910 2 107 . 1 1 19 19 LYS HE3 H 1 2.966 0.02 . 1 . . . . . . . . . 4910 2 108 . 1 1 20 20 LEU H H 1 8.627 0.02 . 1 . . . . . . . . . 4910 2 109 . 1 1 20 20 LEU HA H 1 4.529 0.02 . 1 . . . . . . . . . 4910 2 110 . 1 1 20 20 LEU HB2 H 1 1.723 0.02 . 2 . . . . . . . . . 4910 2 111 . 1 1 20 20 LEU HB3 H 1 1.287 0.02 . 2 . . . . . . . . . 4910 2 112 . 1 1 20 20 LEU HG H 1 1.424 0.02 . 1 . . . . . . . . . 4910 2 113 . 1 1 20 20 LEU HD11 H 1 0.919 0.02 . 2 . . . . . . . . . 4910 2 114 . 1 1 20 20 LEU HD12 H 1 0.919 0.02 . 2 . . . . . . . . . 4910 2 115 . 1 1 20 20 LEU HD13 H 1 0.919 0.02 . 2 . . . . . . . . . 4910 2 116 . 1 1 20 20 LEU HD21 H 1 0.715 0.02 . 2 . . . . . . . . . 4910 2 117 . 1 1 20 20 LEU HD22 H 1 0.715 0.02 . 2 . . . . . . . . . 4910 2 118 . 1 1 20 20 LEU HD23 H 1 0.715 0.02 . 2 . . . . . . . . . 4910 2 119 . 1 1 21 21 PHE H H 1 8.188 0.02 . 1 . . . . . . . . . 4910 2 120 . 1 1 21 21 PHE HA H 1 4.661 0.02 . 1 . . . . . . . . . 4910 2 121 . 1 1 21 21 PHE HB2 H 1 3.085 0.02 . 1 . . . . . . . . . 4910 2 122 . 1 1 21 21 PHE HB3 H 1 3.085 0.02 . 1 . . . . . . . . . 4910 2 123 . 1 1 21 21 PHE HD1 H 1 7.372 0.02 . 1 . . . . . . . . . 4910 2 124 . 1 1 21 21 PHE HD2 H 1 7.372 0.02 . 1 . . . . . . . . . 4910 2 125 . 1 1 21 21 PHE HE1 H 1 7.454 0.02 . 1 . . . . . . . . . 4910 2 126 . 1 1 21 21 PHE HE2 H 1 7.454 0.02 . 1 . . . . . . . . . 4910 2 127 . 1 1 21 21 PHE HZ H 1 7.319 0.02 . 1 . . . . . . . . . 4910 2 128 . 1 1 22 22 CYS H H 1 8.336 0.02 . 1 . . . . . . . . . 4910 2 129 . 1 1 22 22 CYS HA H 1 4.305 0.02 . 1 . . . . . . . . . 4910 2 130 . 1 1 22 22 CYS HB2 H 1 2.651 0.02 . 1 . . . . . . . . . 4910 2 131 . 1 1 22 22 CYS HB3 H 1 2.651 0.02 . 1 . . . . . . . . . 4910 2 132 . 1 1 23 23 PRO HA H 1 4.310 0.02 . 1 . . . . . . . . . 4910 2 133 . 1 1 23 23 PRO HB2 H 1 2.329 0.02 . 2 . . . . . . . . . 4910 2 134 . 1 1 23 23 PRO HB3 H 1 1.938 0.02 . 2 . . . . . . . . . 4910 2 135 . 1 1 23 23 PRO HG2 H 1 1.841 0.02 . 2 . . . . . . . . . 4910 2 136 . 1 1 23 23 PRO HG3 H 1 1.594 0.02 . 2 . . . . . . . . . 4910 2 137 . 1 1 23 23 PRO HD2 H 1 3.109 0.02 . 2 . . . . . . . . . 4910 2 138 . 1 1 23 23 PRO HD3 H 1 2.981 0.02 . 2 . . . . . . . . . 4910 2 139 . 1 1 24 24 GLN H H 1 8.524 0.02 . 1 . . . . . . . . . 4910 2 140 . 1 1 24 24 GLN HA H 1 4.589 0.02 . 1 . . . . . . . . . 4910 2 141 . 1 1 24 24 GLN HB2 H 1 1.942 0.02 . 1 . . . . . . . . . 4910 2 142 . 1 1 24 24 GLN HB3 H 1 1.942 0.02 . 1 . . . . . . . . . 4910 2 143 . 1 1 24 24 GLN HG2 H 1 2.388 0.02 . 2 . . . . . . . . . 4910 2 144 . 1 1 24 24 GLN HG3 H 1 2.326 0.02 . 2 . . . . . . . . . 4910 2 145 . 1 1 24 24 GLN HE21 H 1 7.464 0.02 . 2 . . . . . . . . . 4910 2 146 . 1 1 24 24 GLN HE22 H 1 6.841 0.02 . 2 . . . . . . . . . 4910 2 147 . 1 1 25 25 ASP H H 1 7.986 0.02 . 1 . . . . . . . . . 4910 2 148 . 1 1 25 25 ASP HA H 1 4.518 0.02 . 1 . . . . . . . . . 4910 2 149 . 1 1 25 25 ASP HB2 H 1 2.701 0.02 . 1 . . . . . . . . . 4910 2 150 . 1 1 25 25 ASP HB3 H 1 2.701 0.02 . 1 . . . . . . . . . 4910 2 151 . 1 1 26 26 LYS H H 1 8.624 0.02 . 1 . . . . . . . . . 4910 2 152 . 1 1 26 26 LYS HA H 1 4.150 0.02 . 1 . . . . . . . . . 4910 2 153 . 1 1 26 26 LYS HB2 H 1 1.817 0.02 . 1 . . . . . . . . . 4910 2 154 . 1 1 26 26 LYS HB3 H 1 1.817 0.02 . 1 . . . . . . . . . 4910 2 155 . 1 1 26 26 LYS HG2 H 1 1.539 0.02 . 1 . . . . . . . . . 4910 2 156 . 1 1 26 26 LYS HG3 H 1 1.539 0.02 . 1 . . . . . . . . . 4910 2 157 . 1 1 26 26 LYS HD2 H 1 1.660 0.02 . 1 . . . . . . . . . 4910 2 158 . 1 1 26 26 LYS HD3 H 1 1.660 0.02 . 1 . . . . . . . . . 4910 2 159 . 1 1 27 27 LYS H H 1 8.708 0.02 . 1 . . . . . . . . . 4910 2 160 . 1 1 27 27 LYS HA H 1 4.101 0.02 . 1 . . . . . . . . . 4910 2 161 . 1 1 27 27 LYS HB2 H 1 1.682 0.02 . 2 . . . . . . . . . 4910 2 162 . 1 1 27 27 LYS HB3 H 1 1.547 0.02 . 2 . . . . . . . . . 4910 2 163 . 1 1 27 27 LYS HG2 H 1 1.008 0.02 . 2 . . . . . . . . . 4910 2 164 . 1 1 27 27 LYS HG3 H 1 0.783 0.02 . 2 . . . . . . . . . 4910 2 165 . 1 1 27 27 LYS HD2 H 1 1.411 0.02 . 1 . . . . . . . . . 4910 2 166 . 1 1 27 27 LYS HD3 H 1 1.411 0.02 . 1 . . . . . . . . . 4910 2 167 . 1 1 27 27 LYS HE2 H 1 2.686 0.02 . 1 . . . . . . . . . 4910 2 168 . 1 1 27 27 LYS HE3 H 1 2.686 0.02 . 1 . . . . . . . . . 4910 2 169 . 1 1 28 28 PHE H H 1 7.728 0.02 . 1 . . . . . . . . . 4910 2 170 . 1 1 28 28 PHE HA H 1 4.231 0.02 . 1 . . . . . . . . . 4910 2 171 . 1 1 28 28 PHE HB2 H 1 3.003 0.02 . 2 . . . . . . . . . 4910 2 172 . 1 1 28 28 PHE HB3 H 1 2.613 0.02 . 2 . . . . . . . . . 4910 2 173 . 1 1 28 28 PHE HD1 H 1 7.330 0.02 . 1 . . . . . . . . . 4910 2 174 . 1 1 28 28 PHE HD2 H 1 7.330 0.02 . 1 . . . . . . . . . 4910 2 175 . 1 1 28 28 PHE HE1 H 1 7.257 0.02 . 1 . . . . . . . . . 4910 2 176 . 1 1 28 28 PHE HE2 H 1 7.257 0.02 . 1 . . . . . . . . . 4910 2 177 . 1 1 28 28 PHE HZ H 1 7.368 0.02 . 1 . . . . . . . . . 4910 2 178 . 1 1 29 29 PHE H H 1 7.533 0.02 . 1 . . . . . . . . . 4910 2 179 . 1 1 29 29 PHE HA H 1 4.574 0.02 . 1 . . . . . . . . . 4910 2 180 . 1 1 29 29 PHE HB2 H 1 3.422 0.02 . 2 . . . . . . . . . 4910 2 181 . 1 1 29 29 PHE HB3 H 1 2.963 0.02 . 2 . . . . . . . . . 4910 2 182 . 1 1 29 29 PHE HD1 H 1 7.328 0.02 . 1 . . . . . . . . . 4910 2 183 . 1 1 29 29 PHE HD2 H 1 7.328 0.02 . 1 . . . . . . . . . 4910 2 184 . 1 1 30 30 GLN H H 1 7.570 0.02 . 1 . . . . . . . . . 4910 2 185 . 1 1 30 30 GLN HA H 1 4.411 0.02 . 1 . . . . . . . . . 4910 2 186 . 1 1 30 30 GLN HB2 H 1 2.078 0.02 . 1 . . . . . . . . . 4910 2 187 . 1 1 30 30 GLN HB3 H 1 2.078 0.02 . 1 . . . . . . . . . 4910 2 188 . 1 1 30 30 GLN HG2 H 1 2.497 0.02 . 2 . . . . . . . . . 4910 2 189 . 1 1 30 30 GLN HG3 H 1 2.355 0.02 . 2 . . . . . . . . . 4910 2 190 . 1 1 30 30 GLN HE21 H 1 7.449 0.02 . 2 . . . . . . . . . 4910 2 191 . 1 1 30 30 GLN HE22 H 1 6.884 0.02 . 2 . . . . . . . . . 4910 2 192 . 1 1 31 31 SER H H 1 7.724 0.02 . 1 . . . . . . . . . 4910 2 193 . 1 1 31 31 SER HA H 1 4.792 0.02 . 1 . . . . . . . . . 4910 2 194 . 1 1 31 31 SER HB2 H 1 4.201 0.02 . 2 . . . . . . . . . 4910 2 195 . 1 1 31 31 SER HB3 H 1 3.938 0.02 . 2 . . . . . . . . . 4910 2 196 . 1 1 32 32 LEU H H 1 8.831 0.02 . 1 . . . . . . . . . 4910 2 197 . 1 1 32 32 LEU HA H 1 4.217 0.02 . 1 . . . . . . . . . 4910 2 198 . 1 1 32 32 LEU HB2 H 1 1.763 0.02 . 1 . . . . . . . . . 4910 2 199 . 1 1 32 32 LEU HB3 H 1 1.763 0.02 . 1 . . . . . . . . . 4910 2 200 . 1 1 32 32 LEU HG H 1 1.705 0.02 . 1 . . . . . . . . . 4910 2 201 . 1 1 32 32 LEU HD11 H 1 0.997 0.02 . 2 . . . . . . . . . 4910 2 202 . 1 1 32 32 LEU HD12 H 1 0.997 0.02 . 2 . . . . . . . . . 4910 2 203 . 1 1 32 32 LEU HD13 H 1 0.997 0.02 . 2 . . . . . . . . . 4910 2 204 . 1 1 32 32 LEU HD21 H 1 0.950 0.02 . 2 . . . . . . . . . 4910 2 205 . 1 1 32 32 LEU HD22 H 1 0.950 0.02 . 2 . . . . . . . . . 4910 2 206 . 1 1 32 32 LEU HD23 H 1 0.950 0.02 . 2 . . . . . . . . . 4910 2 207 . 1 1 33 33 ASP H H 1 8.496 0.02 . 1 . . . . . . . . . 4910 2 208 . 1 1 33 33 ASP HA H 1 4.466 0.02 . 1 . . . . . . . . . 4910 2 209 . 1 1 33 33 ASP HB2 H 1 2.619 0.02 . 1 . . . . . . . . . 4910 2 210 . 1 1 33 33 ASP HB3 H 1 2.619 0.02 . 1 . . . . . . . . . 4910 2 211 . 1 1 34 34 GLY H H 1 8.107 0.02 . 1 . . . . . . . . . 4910 2 212 . 1 1 34 34 GLY HA2 H 1 4.422 0.02 . 2 . . . . . . . . . 4910 2 213 . 1 1 34 34 GLY HA3 H 1 3.977 0.02 . 2 . . . . . . . . . 4910 2 214 . 1 1 35 35 ILE H H 1 8.062 0.02 . 1 . . . . . . . . . 4910 2 215 . 1 1 35 35 ILE HA H 1 3.631 0.02 . 1 . . . . . . . . . 4910 2 216 . 1 1 35 35 ILE HB H 1 1.960 0.02 . 1 . . . . . . . . . 4910 2 217 . 1 1 35 35 ILE HG12 H 1 1.161 0.02 . 1 . . . . . . . . . 4910 2 218 . 1 1 35 35 ILE HG13 H 1 1.161 0.02 . 1 . . . . . . . . . 4910 2 219 . 1 1 35 35 ILE HG21 H 1 0.949 0.02 . 1 . . . . . . . . . 4910 2 220 . 1 1 35 35 ILE HG22 H 1 0.949 0.02 . 1 . . . . . . . . . 4910 2 221 . 1 1 35 35 ILE HG23 H 1 0.949 0.02 . 1 . . . . . . . . . 4910 2 222 . 1 1 35 35 ILE HD11 H 1 0.915 0.02 . 1 . . . . . . . . . 4910 2 223 . 1 1 35 35 ILE HD12 H 1 0.915 0.02 . 1 . . . . . . . . . 4910 2 224 . 1 1 35 35 ILE HD13 H 1 0.915 0.02 . 1 . . . . . . . . . 4910 2 225 . 1 1 36 36 MET H H 1 8.355 0.02 . 1 . . . . . . . . . 4910 2 226 . 1 1 36 36 MET HA H 1 4.271 0.02 . 1 . . . . . . . . . 4910 2 227 . 1 1 36 36 MET HB2 H 1 2.314 0.02 . 2 . . . . . . . . . 4910 2 228 . 1 1 36 36 MET HB3 H 1 2.207 0.02 . 2 . . . . . . . . . 4910 2 229 . 1 1 36 36 MET HG2 H 1 2.828 0.02 . 2 . . . . . . . . . 4910 2 230 . 1 1 36 36 MET HG3 H 1 2.678 0.02 . 2 . . . . . . . . . 4910 2 231 . 1 1 37 37 PHE H H 1 8.023 0.02 . 1 . . . . . . . . . 4910 2 232 . 1 1 37 37 PHE HA H 1 4.398 0.02 . 1 . . . . . . . . . 4910 2 233 . 1 1 37 37 PHE HB2 H 1 3.467 0.02 . 2 . . . . . . . . . 4910 2 234 . 1 1 37 37 PHE HB3 H 1 3.351 0.02 . 2 . . . . . . . . . 4910 2 235 . 1 1 37 37 PHE HD1 H 1 7.209 0.02 . 1 . . . . . . . . . 4910 2 236 . 1 1 37 37 PHE HD2 H 1 7.209 0.02 . 1 . . . . . . . . . 4910 2 237 . 1 1 37 37 PHE HE1 H 1 7.032 0.02 . 1 . . . . . . . . . 4910 2 238 . 1 1 37 37 PHE HE2 H 1 7.032 0.02 . 1 . . . . . . . . . 4910 2 239 . 1 1 37 37 PHE HZ H 1 7.082 0.02 . 1 . . . . . . . . . 4910 2 240 . 1 1 38 38 ILE H H 1 8.310 0.02 . 1 . . . . . . . . . 4910 2 241 . 1 1 38 38 ILE HA H 1 3.529 0.02 . 1 . . . . . . . . . 4910 2 242 . 1 1 38 38 ILE HB H 1 1.948 0.02 . 1 . . . . . . . . . 4910 2 243 . 1 1 38 38 ILE HG12 H 1 1.413 0.02 . 2 . . . . . . . . . 4910 2 244 . 1 1 38 38 ILE HG13 H 1 1.201 0.02 . 2 . . . . . . . . . 4910 2 245 . 1 1 38 38 ILE HG21 H 1 0.834 0.02 . 1 . . . . . . . . . 4910 2 246 . 1 1 38 38 ILE HG22 H 1 0.834 0.02 . 1 . . . . . . . . . 4910 2 247 . 1 1 38 38 ILE HG23 H 1 0.834 0.02 . 1 . . . . . . . . . 4910 2 248 . 1 1 38 38 ILE HD11 H 1 0.432 0.02 . 1 . . . . . . . . . 4910 2 249 . 1 1 38 38 ILE HD12 H 1 0.432 0.02 . 1 . . . . . . . . . 4910 2 250 . 1 1 38 38 ILE HD13 H 1 0.432 0.02 . 1 . . . . . . . . . 4910 2 251 . 1 1 39 39 ASN H H 1 8.463 0.02 . 1 . . . . . . . . . 4910 2 252 . 1 1 39 39 ASN HA H 1 4.473 0.02 . 1 . . . . . . . . . 4910 2 253 . 1 1 39 39 ASN HB2 H 1 2.902 0.02 . 2 . . . . . . . . . 4910 2 254 . 1 1 39 39 ASN HB3 H 1 2.801 0.02 . 2 . . . . . . . . . 4910 2 255 . 1 1 39 39 ASN HD21 H 1 7.486 0.02 . 2 . . . . . . . . . 4910 2 256 . 1 1 39 39 ASN HD22 H 1 6.898 0.02 . 2 . . . . . . . . . 4910 2 257 . 1 1 40 40 LYS H H 1 8.401 0.02 . 1 . . . . . . . . . 4910 2 258 . 1 1 40 40 LYS HA H 1 3.965 0.02 . 1 . . . . . . . . . 4910 2 259 . 1 1 40 40 LYS HB2 H 1 2.022 0.02 . 2 . . . . . . . . . 4910 2 260 . 1 1 40 40 LYS HB3 H 1 1.933 0.02 . 2 . . . . . . . . . 4910 2 261 . 1 1 40 40 LYS HG2 H 1 1.624 0.02 . 1 . . . . . . . . . 4910 2 262 . 1 1 40 40 LYS HG3 H 1 1.624 0.02 . 1 . . . . . . . . . 4910 2 263 . 1 1 40 40 LYS HD2 H 1 1.823 0.02 . 1 . . . . . . . . . 4910 2 264 . 1 1 40 40 LYS HD3 H 1 1.823 0.02 . 1 . . . . . . . . . 4910 2 265 . 1 1 40 40 LYS HE2 H 1 3.040 0.02 . 1 . . . . . . . . . 4910 2 266 . 1 1 40 40 LYS HE3 H 1 3.040 0.02 . 1 . . . . . . . . . 4910 2 267 . 1 1 41 41 CYS H H 1 8.018 0.02 . 1 . . . . . . . . . 4910 2 268 . 1 1 41 41 CYS HA H 1 3.527 0.02 . 1 . . . . . . . . . 4910 2 269 . 1 1 41 41 CYS HB2 H 1 2.877 0.02 . 2 . . . . . . . . . 4910 2 270 . 1 1 41 41 CYS HB3 H 1 2.188 0.02 . 2 . . . . . . . . . 4910 2 271 . 1 1 42 42 ALA H H 1 7.688 0.02 . 1 . . . . . . . . . 4910 2 272 . 1 1 42 42 ALA HA H 1 3.848 0.02 . 1 . . . . . . . . . 4910 2 273 . 1 1 42 42 ALA HB1 H 1 1.477 0.02 . 1 . . . . . . . . . 4910 2 274 . 1 1 42 42 ALA HB2 H 1 1.477 0.02 . 1 . . . . . . . . . 4910 2 275 . 1 1 42 42 ALA HB3 H 1 1.477 0.02 . 1 . . . . . . . . . 4910 2 276 . 1 1 43 43 THR H H 1 7.835 0.02 . 1 . . . . . . . . . 4910 2 277 . 1 1 43 43 THR HA H 1 3.973 0.02 . 1 . . . . . . . . . 4910 2 278 . 1 1 43 43 THR HB H 1 4.267 0.02 . 1 . . . . . . . . . 4910 2 279 . 1 1 43 43 THR HG21 H 1 1.223 0.02 . 1 . . . . . . . . . 4910 2 280 . 1 1 43 43 THR HG22 H 1 1.223 0.02 . 1 . . . . . . . . . 4910 2 281 . 1 1 43 43 THR HG23 H 1 1.223 0.02 . 1 . . . . . . . . . 4910 2 282 . 1 1 44 44 CYS H H 1 8.151 0.02 . 1 . . . . . . . . . 4910 2 283 . 1 1 44 44 CYS HA H 1 4.459 0.02 . 1 . . . . . . . . . 4910 2 284 . 1 1 44 44 CYS HB2 H 1 2.782 0.02 . 2 . . . . . . . . . 4910 2 285 . 1 1 44 44 CYS HB3 H 1 2.691 0.02 . 2 . . . . . . . . . 4910 2 286 . 1 1 45 45 LYS H H 1 8.243 0.02 . 1 . . . . . . . . . 4910 2 287 . 1 1 45 45 LYS HA H 1 3.776 0.02 . 1 . . . . . . . . . 4910 2 288 . 1 1 45 45 LYS HB2 H 1 1.958 0.02 . 1 . . . . . . . . . 4910 2 289 . 1 1 45 45 LYS HB3 H 1 1.958 0.02 . 1 . . . . . . . . . 4910 2 290 . 1 1 45 45 LYS HG2 H 1 1.203 0.02 . 1 . . . . . . . . . 4910 2 291 . 1 1 45 45 LYS HG3 H 1 1.203 0.02 . 1 . . . . . . . . . 4910 2 292 . 1 1 45 45 LYS HD2 H 1 1.714 0.02 . 1 . . . . . . . . . 4910 2 293 . 1 1 45 45 LYS HD3 H 1 1.714 0.02 . 1 . . . . . . . . . 4910 2 294 . 1 1 45 45 LYS HE2 H 1 2.774 0.02 . 1 . . . . . . . . . 4910 2 295 . 1 1 45 45 LYS HE3 H 1 2.774 0.02 . 1 . . . . . . . . . 4910 2 296 . 1 1 46 46 MET H H 1 7.507 0.02 . 1 . . . . . . . . . 4910 2 297 . 1 1 46 46 MET HA H 1 4.220 0.02 . 1 . . . . . . . . . 4910 2 298 . 1 1 46 46 MET HB2 H 1 2.202 0.02 . 1 . . . . . . . . . 4910 2 299 . 1 1 46 46 MET HB3 H 1 2.202 0.02 . 1 . . . . . . . . . 4910 2 300 . 1 1 46 46 MET HG2 H 1 2.706 0.02 . 2 . . . . . . . . . 4910 2 301 . 1 1 46 46 MET HG3 H 1 2.605 0.02 . 2 . . . . . . . . . 4910 2 302 . 1 1 47 47 ILE H H 1 7.438 0.02 . 1 . . . . . . . . . 4910 2 303 . 1 1 47 47 ILE HA H 1 3.779 0.02 . 1 . . . . . . . . . 4910 2 304 . 1 1 47 47 ILE HB H 1 1.994 0.02 . 1 . . . . . . . . . 4910 2 305 . 1 1 47 47 ILE HG12 H 1 1.710 0.02 . 2 . . . . . . . . . 4910 2 306 . 1 1 47 47 ILE HG13 H 1 1.205 0.02 . 2 . . . . . . . . . 4910 2 307 . 1 1 47 47 ILE HG21 H 1 0.883 0.02 . 1 . . . . . . . . . 4910 2 308 . 1 1 47 47 ILE HG22 H 1 0.883 0.02 . 1 . . . . . . . . . 4910 2 309 . 1 1 47 47 ILE HG23 H 1 0.883 0.02 . 1 . . . . . . . . . 4910 2 310 . 1 1 47 47 ILE HD11 H 1 0.862 0.02 . 1 . . . . . . . . . 4910 2 311 . 1 1 47 47 ILE HD12 H 1 0.862 0.02 . 1 . . . . . . . . . 4910 2 312 . 1 1 47 47 ILE HD13 H 1 0.862 0.02 . 1 . . . . . . . . . 4910 2 313 . 1 1 48 48 LEU H H 1 8.621 0.02 . 1 . . . . . . . . . 4910 2 314 . 1 1 48 48 LEU HA H 1 4.149 0.02 . 1 . . . . . . . . . 4910 2 315 . 1 1 48 48 LEU HB2 H 1 1.817 0.02 . 1 . . . . . . . . . 4910 2 316 . 1 1 48 48 LEU HB3 H 1 1.817 0.02 . 1 . . . . . . . . . 4910 2 317 . 1 1 48 48 LEU HG H 1 1.655 0.02 . 1 . . . . . . . . . 4910 2 318 . 1 1 48 48 LEU HD11 H 1 0.960 0.02 . 2 . . . . . . . . . 4910 2 319 . 1 1 48 48 LEU HD12 H 1 0.960 0.02 . 2 . . . . . . . . . 4910 2 320 . 1 1 48 48 LEU HD13 H 1 0.960 0.02 . 2 . . . . . . . . . 4910 2 321 . 1 1 48 48 LEU HD21 H 1 0.882 0.02 . 2 . . . . . . . . . 4910 2 322 . 1 1 48 48 LEU HD22 H 1 0.882 0.02 . 2 . . . . . . . . . 4910 2 323 . 1 1 48 48 LEU HD23 H 1 0.882 0.02 . 2 . . . . . . . . . 4910 2 324 . 1 1 49 49 GLU H H 1 8.048 0.02 . 1 . . . . . . . . . 4910 2 325 . 1 1 49 49 GLU HA H 1 4.110 0.02 . 1 . . . . . . . . . 4910 2 326 . 1 1 49 49 GLU HB2 H 1 2.133 0.02 . 2 . . . . . . . . . 4910 2 327 . 1 1 49 49 GLU HB3 H 1 2.086 0.02 . 2 . . . . . . . . . 4910 2 328 . 1 1 49 49 GLU HG2 H 1 2.682 0.02 . 2 . . . . . . . . . 4910 2 329 . 1 1 49 49 GLU HG3 H 1 2.470 0.02 . 2 . . . . . . . . . 4910 2 330 . 1 1 50 50 LYS H H 1 7.586 0.02 . 1 . . . . . . . . . 4910 2 331 . 1 1 50 50 LYS HA H 1 4.225 0.02 . 1 . . . . . . . . . 4910 2 332 . 1 1 50 50 LYS HB2 H 1 1.962 0.02 . 1 . . . . . . . . . 4910 2 333 . 1 1 50 50 LYS HB3 H 1 1.962 0.02 . 1 . . . . . . . . . 4910 2 334 . 1 1 50 50 LYS HG2 H 1 1.503 0.02 . 1 . . . . . . . . . 4910 2 335 . 1 1 50 50 LYS HG3 H 1 1.503 0.02 . 1 . . . . . . . . . 4910 2 336 . 1 1 50 50 LYS HD2 H 1 1.731 0.02 . 1 . . . . . . . . . 4910 2 337 . 1 1 50 50 LYS HD3 H 1 1.731 0.02 . 1 . . . . . . . . . 4910 2 338 . 1 1 50 50 LYS HE2 H 1 3.004 0.02 . 1 . . . . . . . . . 4910 2 339 . 1 1 50 50 LYS HE3 H 1 3.004 0.02 . 1 . . . . . . . . . 4910 2 340 . 1 1 51 51 GLU H H 1 7.966 0.02 . 1 . . . . . . . . . 4910 2 341 . 1 1 51 51 GLU HA H 1 4.230 0.02 . 1 . . . . . . . . . 4910 2 342 . 1 1 51 51 GLU HB2 H 1 2.071 0.02 . 1 . . . . . . . . . 4910 2 343 . 1 1 51 51 GLU HB3 H 1 2.071 0.02 . 1 . . . . . . . . . 4910 2 344 . 1 1 51 51 GLU HG2 H 1 2.491 0.02 . 2 . . . . . . . . . 4910 2 345 . 1 1 51 51 GLU HG3 H 1 2.334 0.02 . 2 . . . . . . . . . 4910 2 346 . 1 1 52 52 ALA H H 1 7.898 0.02 . 1 . . . . . . . . . 4910 2 347 . 1 1 52 52 ALA HA H 1 4.316 0.02 . 1 . . . . . . . . . 4910 2 348 . 1 1 52 52 ALA HB1 H 1 1.451 0.02 . 1 . . . . . . . . . 4910 2 349 . 1 1 52 52 ALA HB2 H 1 1.451 0.02 . 1 . . . . . . . . . 4910 2 350 . 1 1 52 52 ALA HB3 H 1 1.451 0.02 . 1 . . . . . . . . . 4910 2 351 . 1 1 53 53 LYS H H 1 7.974 0.02 . 1 . . . . . . . . . 4910 2 352 . 1 1 53 53 LYS HA H 1 4.374 0.02 . 1 . . . . . . . . . 4910 2 353 . 1 1 53 53 LYS HB2 H 1 1.929 0.02 . 2 . . . . . . . . . 4910 2 354 . 1 1 53 53 LYS HB3 H 1 1.836 0.02 . 2 . . . . . . . . . 4910 2 355 . 1 1 53 53 LYS HG2 H 1 1.464 0.02 . 1 . . . . . . . . . 4910 2 356 . 1 1 53 53 LYS HG3 H 1 1.464 0.02 . 1 . . . . . . . . . 4910 2 357 . 1 1 53 53 LYS HD2 H 1 1.698 0.02 . 1 . . . . . . . . . 4910 2 358 . 1 1 53 53 LYS HD3 H 1 1.698 0.02 . 1 . . . . . . . . . 4910 2 359 . 1 1 53 53 LYS HE2 H 1 3.029 0.02 . 1 . . . . . . . . . 4910 2 360 . 1 1 53 53 LYS HE3 H 1 3.029 0.02 . 1 . . . . . . . . . 4910 2 361 . 1 1 54 54 SER H H 1 8.239 0.02 . 1 . . . . . . . . . 4910 2 362 . 1 1 54 54 SER HA H 1 4.481 0.02 . 1 . . . . . . . . . 4910 2 363 . 1 1 54 54 SER HB2 H 1 3.918 0.02 . 1 . . . . . . . . . 4910 2 364 . 1 1 54 54 SER HB3 H 1 3.918 0.02 . 1 . . . . . . . . . 4910 2 365 . 1 1 55 55 GLN H H 1 7.962 0.02 . 1 . . . . . . . . . 4910 2 366 . 1 1 55 55 GLN HA H 1 4.212 0.02 . 1 . . . . . . . . . 4910 2 367 . 1 1 55 55 GLN HB2 H 1 2.144 0.02 . 2 . . . . . . . . . 4910 2 368 . 1 1 55 55 GLN HB3 H 1 1.961 0.02 . 2 . . . . . . . . . 4910 2 369 . 1 1 55 55 GLN HG2 H 1 2.328 0.02 . 1 . . . . . . . . . 4910 2 370 . 1 1 55 55 GLN HG3 H 1 2.328 0.02 . 1 . . . . . . . . . 4910 2 stop_ save_ ######################## # Coupling constants # ######################## save_J_values_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values_set_1 _Coupling_constant_list.Entry_ID 4910 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $Ex-cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 1 2D-TOCSY 1 $sample_1 . 4910 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_asym_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_asym_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 3 3 GLU H H 1 . . 1 1 3 3 GLU HA H 1 . 5.75 . . 1 . . . . . . . . . . . . . 4910 1 2 3JHNHA . 1 1 12 12 GLN H H 1 . . 1 1 12 12 GLN HA H 1 . 3.84 . . 1 . . . . . . . . . . . . . 4910 1 3 3JHNHA . 1 1 13 13 ALA H H 1 . . 1 1 13 13 ALA HA H 1 . 3.94 . . 1 . . . . . . . . . . . . . 4910 1 4 3JHNHA . 1 1 14 14 PHE H H 1 . . 1 1 14 14 PHE HA H 1 . 9.57 . . 1 . . . . . . . . . . . . . 4910 1 5 3JHNHA . 1 1 16 16 LYS H H 1 . . 1 1 16 16 LYS HA H 1 . 9.01 . . 1 . . . . . . . . . . . . . 4910 1 6 3JHNHA . 1 1 19 19 LYS H H 1 . . 1 1 19 19 LYS HA H 1 . 10.10 . . 1 . . . . . . . . . . . . . 4910 1 7 3JHNHA . 1 1 21 21 PHE H H 1 . . 1 1 21 21 PHE HA H 1 . 10.25 . . 1 . . . . . . . . . . . . . 4910 1 8 3JHNHA . 1 1 26 26 LYS H H 1 . . 1 1 26 26 LYS HA H 1 . 3.49 . . 1 . . . . . . . . . . . . . 4910 1 9 3JHNHA . 1 1 27 27 LYS H H 1 . . 1 1 27 27 LYS HA H 1 . 3.62 . . 1 . . . . . . . . . . . . . 4910 1 10 3JHNHA . 1 1 42 42 ALA H H 1 . . 1 1 42 42 ALA HA H 1 . 4.02 . . 1 . . . . . . . . . . . . . 4910 1 11 3JHNHA . 1 1 43 43 THR H H 1 . . 1 1 43 43 THR HA H 1 . 5.40 . . 1 . . . . . . . . . . . . . 4910 1 12 3JHNHA . 1 1 46 46 MET H H 1 . . 1 1 46 46 MET HA H 1 . 4.75 . . 1 . . . . . . . . . . . . . 4910 1 13 3JHNHA . 1 1 55 55 GLN H H 1 . . 1 1 55 55 GLN HA H 1 . 8.28 . . 1 . . . . . . . . . . . . . 4910 1 stop_ save_