data_6139 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6139 _Entry.Title ; Solution Structure of Ole e 6, an allergen from olive tree pollen ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-03-11 _Entry.Accession_date 2004-03-11 _Entry.Last_release_date 2004-03-11 _Entry.Original_release_date 2004-03-11 _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 Miguel Trevino . A. . . 6139 2 'M Flor' Garcia-Mayoral . . . . 6139 3 Patricia Barral . . . . 6139 4 Mayte Villalba . . . . 6139 5 Manuel Rico . . . . 6139 6 Jorge Santoro . . . . 6139 7 Rosalia Rodriguez . . . . 6139 8 Marta Bruix . . . . 6139 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 6139 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 52 6139 '1H chemical shifts' 614 6139 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 . . 2004-08-05 . original BMRB . 6139 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6139 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15247256 _Citation.Full_citation . _Citation.Title ; NMR Solution Structure of Ole e 6, a major allergen from olive tree pollen ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2004 _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 Miguel Trevino . A. . . 6139 1 2 'M. Flor' Garcia-Mayoral . . . . 6139 1 3 Patricia Barral . . . . 6139 1 4 Mayte Villalba . . . . 6139 1 5 Jorge Santoro . . . . 6139 1 6 Manuel Rico . . . . 6139 1 7 Rosalia Rodriguez . . . . 6139 1 8 Marta Bruix . . . . 6139 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'allergy pollinosis olive' 6139 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ole_e_6 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ole_e_6 _Assembly.Entry_ID 6139 _Assembly.ID 1 _Assembly.Name 'Oela europea pollen allergen ole e 6' _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 6139 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 'ole e 6' 1 $ole_e_6 . . . native . . . . . 6139 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 34 34 SG . . . . . . . . . . . . 6139 1 2 disulfide single . 1 . 1 CYS 12 12 SG . 1 . 1 CYS 30 30 SG . . . . . . . . . . . . 6139 1 3 disulfide single . 1 . 1 CYS 16 16 SG . 1 . 1 CYS 26 26 SG . . . . . . . . . . . . 6139 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 EMBL Q84UC2 . . . . . . 6139 1 yes GenBank AY221958 . . . . . . 6139 1 yes GenBank U86342 . . . . . . 6139 1 yes Swiss-Prot AAO34670 . . . . . . 6139 1 yes Swiss-Prot O24172 . . . . . . 6139 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Oela europea pollen allergen ole e 6' system 6139 1 'ole e 6' abbreviation 6139 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ole_e_6 _Entity.Sf_category entity _Entity.Sf_framecode ole_e_6 _Entity.Entry_ID 6139 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Olea europea pollen allergen ole e 6' _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 ; DEAQFKECYDTCHKECSDKG NGFTFCEMKCDTDCSVKDVK EKLENYKPKN ; _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 50 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5810 _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 . . PDB 1SS3 . 'Solution Structure Of Ole E 6, An Allergen From Olive Tree Pollen' . . . . . 100.00 50 100.00 100.00 3.50e-20 . . . . 6139 1 . . GenBank AAB66909 . 'pollen allergen [Olea europaea]' . . . . . 100.00 50 100.00 100.00 3.50e-20 . . . . 6139 1 . . GenBank AAO33896 . 'Ole e 6 allergen [Olea europaea var. sylvestris]' . . . . . 76.00 38 100.00 100.00 3.14e-13 . . . . 6139 1 . . GenBank AAO34670 . 'pollen allergen Ole e 6 [Olea europaea]' . . . . . 86.00 43 100.00 100.00 2.89e-16 . . . . 6139 1 . . SWISS-PROT O24172 . 'Pollen allergen Ole e 6' . . . . . 100.00 50 100.00 100.00 3.50e-20 . . . . 6139 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Olea europea pollen allergen ole e 6' common 6139 1 'ole e 6' abbreviation 6139 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 1 ASP . 6139 1 2 2 GLU . 6139 1 3 3 ALA . 6139 1 4 4 GLN . 6139 1 5 5 PHE . 6139 1 6 6 LYS . 6139 1 7 7 GLU . 6139 1 8 8 CYS . 6139 1 9 9 TYR . 6139 1 10 10 ASP . 6139 1 11 11 THR . 6139 1 12 12 CYS . 6139 1 13 13 HIS . 6139 1 14 14 LYS . 6139 1 15 15 GLU . 6139 1 16 16 CYS . 6139 1 17 17 SER . 6139 1 18 18 ASP . 6139 1 19 19 LYS . 6139 1 20 20 GLY . 6139 1 21 21 ASN . 6139 1 22 22 GLY . 6139 1 23 23 PHE . 6139 1 24 24 THR . 6139 1 25 25 PHE . 6139 1 26 26 CYS . 6139 1 27 27 GLU . 6139 1 28 28 MET . 6139 1 29 29 LYS . 6139 1 30 30 CYS . 6139 1 31 31 ASP . 6139 1 32 32 THR . 6139 1 33 33 ASP . 6139 1 34 34 CYS . 6139 1 35 35 SER . 6139 1 36 36 VAL . 6139 1 37 37 LYS . 6139 1 38 38 ASP . 6139 1 39 39 VAL . 6139 1 40 40 LYS . 6139 1 41 41 GLU . 6139 1 42 42 LYS . 6139 1 43 43 LEU . 6139 1 44 44 GLU . 6139 1 45 45 ASN . 6139 1 46 46 TYR . 6139 1 47 47 LYS . 6139 1 48 48 PRO . 6139 1 49 49 LYS . 6139 1 50 50 ASN . 6139 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 . ASP 1 1 6139 1 . GLU 2 2 6139 1 . ALA 3 3 6139 1 . GLN 4 4 6139 1 . PHE 5 5 6139 1 . LYS 6 6 6139 1 . GLU 7 7 6139 1 . CYS 8 8 6139 1 . TYR 9 9 6139 1 . ASP 10 10 6139 1 . THR 11 11 6139 1 . CYS 12 12 6139 1 . HIS 13 13 6139 1 . LYS 14 14 6139 1 . GLU 15 15 6139 1 . CYS 16 16 6139 1 . SER 17 17 6139 1 . ASP 18 18 6139 1 . LYS 19 19 6139 1 . GLY 20 20 6139 1 . ASN 21 21 6139 1 . GLY 22 22 6139 1 . PHE 23 23 6139 1 . THR 24 24 6139 1 . PHE 25 25 6139 1 . CYS 26 26 6139 1 . GLU 27 27 6139 1 . MET 28 28 6139 1 . LYS 29 29 6139 1 . CYS 30 30 6139 1 . ASP 31 31 6139 1 . THR 32 32 6139 1 . ASP 33 33 6139 1 . CYS 34 34 6139 1 . SER 35 35 6139 1 . VAL 36 36 6139 1 . LYS 37 37 6139 1 . ASP 38 38 6139 1 . VAL 39 39 6139 1 . LYS 40 40 6139 1 . GLU 41 41 6139 1 . LYS 42 42 6139 1 . LEU 43 43 6139 1 . GLU 44 44 6139 1 . ASN 45 45 6139 1 . TYR 46 46 6139 1 . LYS 47 47 6139 1 . PRO 48 48 6139 1 . LYS 49 49 6139 1 . ASN 50 50 6139 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 6139 _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 $ole_e_6 . 4146 . . 'Olea europea' 'olive tree' . . Eukaryota Viridiplantae Olea europea . . . pollen . . . . . . . . . 6139 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 6139 _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 $ole_e_6 . 'recombinant technology' 'Pichia pastoris' 'P. pastoris' . . Pichia pastoris GS115 . . plasmid . . pPIC9 . . . 6139 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6139 _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 'Olea europea pollen allergen ole e 6' . . . 1 $ole_e_6 . . . 0.6 1.0 mM . . . . 6139 1 2 H2O . . . . . . . 95 . . % . . . . 6139 1 3 D2O . . . . . . . 5 . . % . . . . 6139 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6139 _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 'Olea europea pollen allergen ole e 6' . . . 1 $ole_e_6 . . . 0.6 1.0 mM . . . . 6139 2 2 D2O . . . . . . . 100 . . % . . . . 6139 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6139 _Sample.ID 3 _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 'Olea europea pollen allergen ole e 6' [U-15N] . . 1 $ole_e_6 . . . 0.6 1.0 mM . . . . 6139 3 2 H2O . . . . . . . 95 . . % . . . . 6139 3 3 D2O . . . . . . . 5 . . % . . . . 6139 3 stop_ save_ ####################### # Sample conditions # ####################### save_cond_pH6_H2O _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_pH6_H2O _Sample_condition_list.Entry_ID 6139 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 pH 6139 1 temperature 308 0.1 K 6139 1 stop_ save_ save_cond_pH6_D2O _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_pH6_D2O _Sample_condition_list.Entry_ID 6139 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 pH 6139 2 temperature 308 0.1 K 6139 2 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6139 _Software.ID 1 _Software.Type . _Software.Name XWINNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'raw spectral data proccesing' 6139 1 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 6139 _Software.ID 2 _Software.Type . _Software.Name ANSIG _Software.Version 3.3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'crosspeak area calculations' 6139 2 'peak assigments' 6139 2 'peak picking' 6139 2 stop_ save_ save_CALIBA _Software.Sf_category software _Software.Sf_framecode CALIBA _Software.Entry_ID 6139 _Software.ID 3 _Software.Type . _Software.Name CALIBA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'upper limits calculations' 6139 3 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 6139 _Software.ID 4 _Software.Type . _Software.Name DYANA _Software.Version 1.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structures calculations' 6139 4 stop_ save_ save_GLOMSA _Software.Sf_category software _Software.Sf_framecode GLOMSA _Software.Entry_ID 6139 _Software.ID 5 _Software.Type . _Software.Name GLOMSA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'stereospecific assigments' 6139 5 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 6139 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 6139 _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 Avance . 600 . . . 6139 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 6139 _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 1H-COSY . . . . . . . . . . . . . . . . . . . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6139 1 2 1H-TOCSY . . . . . . . . . . . . . . . . . . . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6139 1 3 1H-NOESY . . . . . . . . . . . . . . . . . . . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6139 1 4 1H-15N-HSQC . . . . . . . . . . . . . . . . . . . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6139 1 5 1H-15N-NOESY-HSQC . . . . . . . . . . . . . . . . . . . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6139 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 6139 _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 . . . . . 6139 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 6139 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_cs_olee6_H2O _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode cs_olee6_H2O _Assigned_chem_shift_list.Entry_ID 6139 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_pH6_H2O _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 1H-COSY . . . 6139 1 2 1H-TOCSY . . . 6139 1 3 1H-NOESY . . . 6139 1 4 1H-15N-HSQC . . . 6139 1 5 1H-15N-NOESY-HSQC . . . 6139 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 ASP HA H 1 4.297 0.003 . 1 . . . . . 1 . . . 6139 1 2 . 1 1 1 1 ASP HB2 H 1 2.945 0.003 . 2 . . . . . 1 . . . 6139 1 3 . 1 1 1 1 ASP HB3 H 1 3.030 0.006 . 2 . . . . . 1 . . . 6139 1 4 . 1 1 2 2 GLU H H 1 9.081 0.000 . 1 . . . . . 2 . . . 6139 1 5 . 1 1 2 2 GLU HA H 1 4.290 0.003 . 1 . . . . . 2 . . . 6139 1 6 . 1 1 2 2 GLU HB2 H 1 2.069 0.007 . 2 . . . . . 2 . . . 6139 1 7 . 1 1 2 2 GLU HB3 H 1 2.128 0.002 . 2 . . . . . 2 . . . 6139 1 8 . 1 1 2 2 GLU HG2 H 1 2.365 0.006 . 1 . . . . . 2 . . . 6139 1 9 . 1 1 2 2 GLU HG3 H 1 2.365 0.006 . 1 . . . . . 2 . . . 6139 1 10 . 1 1 2 2 GLU N N 15 121.70 0.00 . 1 . . . . . 2 . . . 6139 1 11 . 1 1 3 3 ALA H H 1 8.356 0.003 . 1 . . . . . 3 . . . 6139 1 12 . 1 1 3 3 ALA HA H 1 4.239 0.003 . 1 . . . . . 3 . . . 6139 1 13 . 1 1 3 3 ALA HB1 H 1 1.498 0.003 . 1 . . . . . 3 . . . 6139 1 14 . 1 1 3 3 ALA HB2 H 1 1.498 0.003 . 1 . . . . . 3 . . . 6139 1 15 . 1 1 3 3 ALA HB3 H 1 1.498 0.003 . 1 . . . . . 3 . . . 6139 1 16 . 1 1 3 3 ALA N N 15 123.53 0.00 . 1 . . . . . 3 . . . 6139 1 17 . 1 1 4 4 GLN H H 1 8.319 0.003 . 1 . . . . . 4 . . . 6139 1 18 . 1 1 4 4 GLN HA H 1 4.234 0.006 . 1 . . . . . 4 . . . 6139 1 19 . 1 1 4 4 GLN HB2 H 1 2.191 0.004 . 1 . . . . . 4 . . . 6139 1 20 . 1 1 4 4 GLN HB3 H 1 2.191 0.004 . 1 . . . . . 4 . . . 6139 1 21 . 1 1 4 4 GLN HG2 H 1 2.436 0.003 . 2 . . . . . 4 . . . 6139 1 22 . 1 1 4 4 GLN HG3 H 1 2.552 0.003 . 2 . . . . . 4 . . . 6139 1 23 . 1 1 4 4 GLN HE21 H 1 7.629 0.003 . 1 . . . . . 4 . . . 6139 1 24 . 1 1 4 4 GLN HE22 H 1 6.908 0.003 . 1 . . . . . 4 . . . 6139 1 25 . 1 1 4 4 GLN N N 15 118.91 0.00 . 1 . . . . . 4 . . . 6139 1 26 . 1 1 4 4 GLN NE2 N 15 112.47 0.00 . 1 . . . . . 4 . . . 6139 1 27 . 1 1 5 5 PHE H H 1 8.369 0.004 . 1 . . . . . 5 . . . 6139 1 28 . 1 1 5 5 PHE HA H 1 4.368 0.002 . 1 . . . . . 5 . . . 6139 1 29 . 1 1 5 5 PHE HB2 H 1 3.274 0.002 . 1 . . . . . 5 . . . 6139 1 30 . 1 1 5 5 PHE HB3 H 1 3.172 0.003 . 1 . . . . . 5 . . . 6139 1 31 . 1 1 5 5 PHE HD1 H 1 7.195 0.001 . 1 . . . . . 5 . . . 6139 1 32 . 1 1 5 5 PHE HD2 H 1 7.195 0.001 . 1 . . . . . 5 . . . 6139 1 33 . 1 1 5 5 PHE HE1 H 1 7.198 0.003 . 1 . . . . . 5 . . . 6139 1 34 . 1 1 5 5 PHE HE2 H 1 7.198 0.003 . 1 . . . . . 5 . . . 6139 1 35 . 1 1 5 5 PHE HZ H 1 7.384 0.001 . 1 . . . . . 5 . . . 6139 1 36 . 1 1 5 5 PHE N N 15 121.74 0.00 . 1 . . . . . 5 . . . 6139 1 37 . 1 1 6 6 LYS H H 1 8.393 0.004 . 1 . . . . . 6 . . . 6139 1 38 . 1 1 6 6 LYS HA H 1 3.937 0.003 . 1 . . . . . 6 . . . 6139 1 39 . 1 1 6 6 LYS HB2 H 1 1.981 0.004 . 1 . . . . . 6 . . . 6139 1 40 . 1 1 6 6 LYS HB3 H 1 1.981 0.004 . 1 . . . . . 6 . . . 6139 1 41 . 1 1 6 6 LYS HG2 H 1 1.493 0.005 . 2 . . . . . 6 . . . 6139 1 42 . 1 1 6 6 LYS HG3 H 1 1.626 0.011 . 2 . . . . . 6 . . . 6139 1 43 . 1 1 6 6 LYS HD2 H 1 1.799 0.000 . 1 . . . . . 6 . . . 6139 1 44 . 1 1 6 6 LYS HD3 H 1 1.799 0.000 . 1 . . . . . 6 . . . 6139 1 45 . 1 1 6 6 LYS HE2 H 1 3.037 0.003 . 1 . . . . . 6 . . . 6139 1 46 . 1 1 6 6 LYS HE3 H 1 3.037 0.003 . 1 . . . . . 6 . . . 6139 1 47 . 1 1 6 6 LYS HZ1 H 1 7.75 0.080 . 1 . . . . . 6 . . . 6139 1 48 . 1 1 6 6 LYS HZ2 H 1 7.75 0.080 . 1 . . . . . 6 . . . 6139 1 49 . 1 1 6 6 LYS HZ3 H 1 7.75 0.080 . 1 . . . . . 6 . . . 6139 1 50 . 1 1 6 6 LYS N N 15 119.90 0.00 . 1 . . . . . 6 . . . 6139 1 51 . 1 1 7 7 GLU H H 1 7.872 0.001 . 1 . . . . . 7 . . . 6139 1 52 . 1 1 7 7 GLU HA H 1 4.208 0.006 . 1 . . . . . 7 . . . 6139 1 53 . 1 1 7 7 GLU HB2 H 1 2.109 0.006 . 1 . . . . . 7 . . . 6139 1 54 . 1 1 7 7 GLU HB3 H 1 2.109 0.006 . 1 . . . . . 7 . . . 6139 1 55 . 1 1 7 7 GLU HG2 H 1 2.394 0.004 . 2 . . . . . 7 . . . 6139 1 56 . 1 1 7 7 GLU HG3 H 1 2.434 0.000 . 2 . . . . . 7 . . . 6139 1 57 . 1 1 7 7 GLU N N 15 118.05 0.00 . 1 . . . . . 7 . . . 6139 1 58 . 1 1 8 8 CYS H H 1 7.934 0.001 . 1 . . . . . 8 . . . 6139 1 59 . 1 1 8 8 CYS HA H 1 4.119 0.005 . 1 . . . . . 8 . . . 6139 1 60 . 1 1 8 8 CYS HB2 H 1 3.076 0.006 . 2 . . . . . 8 . . . 6139 1 61 . 1 1 8 8 CYS HB3 H 1 3.363 0.002 . 2 . . . . . 8 . . . 6139 1 62 . 1 1 8 8 CYS N N 15 119.73 0.00 . 1 . . . . . 8 . . . 6139 1 63 . 1 1 9 9 TYR H H 1 9.260 0.003 . 1 . . . . . 9 . . . 6139 1 64 . 1 1 9 9 TYR HA H 1 3.571 0.005 . 1 . . . . . 9 . . . 6139 1 65 . 1 1 9 9 TYR HB2 H 1 2.205 0.002 . 2 . . . . . 9 . . . 6139 1 66 . 1 1 9 9 TYR HB3 H 1 2.834 0.003 . 2 . . . . . 9 . . . 6139 1 67 . 1 1 9 9 TYR HD1 H 1 6.942 0.002 . 1 . . . . . 9 . . . 6139 1 68 . 1 1 9 9 TYR HD2 H 1 6.942 0.002 . 1 . . . . . 9 . . . 6139 1 69 . 1 1 9 9 TYR HE1 H 1 6.871 0.002 . 1 . . . . . 9 . . . 6139 1 70 . 1 1 9 9 TYR HE2 H 1 6.871 0.002 . 1 . . . . . 9 . . . 6139 1 71 . 1 1 9 9 TYR N N 15 124.06 0.00 . 1 . . . . . 9 . . . 6139 1 72 . 1 1 10 10 ASP H H 1 9.037 0.002 . 1 . . . . . 10 . . . 6139 1 73 . 1 1 10 10 ASP HA H 1 4.408 0.002 . 1 . . . . . 10 . . . 6139 1 74 . 1 1 10 10 ASP HB2 H 1 2.681 0.006 . 2 . . . . . 10 . . . 6139 1 75 . 1 1 10 10 ASP HB3 H 1 2.859 0.004 . 2 . . . . . 10 . . . 6139 1 76 . 1 1 10 10 ASP N N 15 120.62 0.00 . 1 . . . . . 10 . . . 6139 1 77 . 1 1 11 11 THR H H 1 7.838 0.001 . 1 . . . . . 11 . . . 6139 1 78 . 1 1 11 11 THR HA H 1 3.990 0.003 . 1 . . . . . 11 . . . 6139 1 79 . 1 1 11 11 THR HB H 1 4.241 0.005 . 1 . . . . . 11 . . . 6139 1 80 . 1 1 11 11 THR HG21 H 1 1.283 0.002 . 1 . . . . . 11 . . . 6139 1 81 . 1 1 11 11 THR HG22 H 1 1.283 0.002 . 1 . . . . . 11 . . . 6139 1 82 . 1 1 11 11 THR HG23 H 1 1.283 0.002 . 1 . . . . . 11 . . . 6139 1 83 . 1 1 11 11 THR N N 15 116.97 0.00 . 1 . . . . . 11 . . . 6139 1 84 . 1 1 12 12 CYS H H 1 8.439 0.002 . 1 . . . . . 12 . . . 6139 1 85 . 1 1 12 12 CYS HA H 1 4.211 0.003 . 1 . . . . . 12 . . . 6139 1 86 . 1 1 12 12 CYS HB2 H 1 3.121 0.006 . 1 . . . . . 12 . . . 6139 1 87 . 1 1 12 12 CYS HB3 H 1 3.121 0.006 . 1 . . . . . 12 . . . 6139 1 88 . 1 1 12 12 CYS N N 15 122.59 0.00 . 1 . . . . . 12 . . . 6139 1 89 . 1 1 13 13 HIS H H 1 9.483 0.002 . 1 . . . . . 13 . . . 6139 1 90 . 1 1 13 13 HIS HA H 1 3.585 0.003 . 1 . . . . . 13 . . . 6139 1 91 . 1 1 13 13 HIS HB2 H 1 2.519 0.002 . 1 . . . . . 13 . . . 6139 1 92 . 1 1 13 13 HIS HB3 H 1 2.908 0.003 . 1 . . . . . 13 . . . 6139 1 93 . 1 1 13 13 HIS HD2 H 1 6.250 0.002 . 1 . . . . . 13 . . . 6139 1 94 . 1 1 13 13 HIS HE1 H 1 7.994 0.004 . 1 . . . . . 13 . . . 6139 1 95 . 1 1 13 13 HIS N N 15 123.92 0.00 . 1 . . . . . 13 . . . 6139 1 96 . 1 1 14 14 LYS H H 1 7.909 0.003 . 1 . . . . . 14 . . . 6139 1 97 . 1 1 14 14 LYS HA H 1 4.220 0.004 . 1 . . . . . 14 . . . 6139 1 98 . 1 1 14 14 LYS HB2 H 1 2.044 0.005 . 1 . . . . . 14 . . . 6139 1 99 . 1 1 14 14 LYS HB3 H 1 2.044 0.005 . 1 . . . . . 14 . . . 6139 1 100 . 1 1 14 14 LYS HG2 H 1 1.504 0.002 . 2 . . . . . 14 . . . 6139 1 101 . 1 1 14 14 LYS HG3 H 1 1.576 0.002 . 2 . . . . . 14 . . . 6139 1 102 . 1 1 14 14 LYS HD2 H 1 1.677 0.003 . 2 . . . . . 14 . . . 6139 1 103 . 1 1 14 14 LYS HD3 H 1 1.798 0.003 . 2 . . . . . 14 . . . 6139 1 104 . 1 1 14 14 LYS HE2 H 1 3.046 0.006 . 1 . . . . . 14 . . . 6139 1 105 . 1 1 14 14 LYS HE3 H 1 3.046 0.006 . 1 . . . . . 14 . . . 6139 1 106 . 1 1 14 14 LYS HZ1 H 1 7.754 0.005 . 1 . . . . . 14 . . . 6139 1 107 . 1 1 14 14 LYS HZ2 H 1 7.754 0.005 . 1 . . . . . 14 . . . 6139 1 108 . 1 1 14 14 LYS HZ3 H 1 7.754 0.005 . 1 . . . . . 14 . . . 6139 1 109 . 1 1 14 14 LYS N N 15 122.69 0.00 . 1 . . . . . 14 . . . 6139 1 110 . 1 1 15 15 GLU H H 1 7.758 0.002 . 1 . . . . . 15 . . . 6139 1 111 . 1 1 15 15 GLU HA H 1 4.078 0.002 . 1 . . . . . 15 . . . 6139 1 112 . 1 1 15 15 GLU HB2 H 1 2.053 0.003 . 2 . . . . . 15 . . . 6139 1 113 . 1 1 15 15 GLU HB3 H 1 2.106 0.005 . 2 . . . . . 15 . . . 6139 1 114 . 1 1 15 15 GLU HG2 H 1 2.230 0.004 . 2 . . . . . 15 . . . 6139 1 115 . 1 1 15 15 GLU HG3 H 1 2.450 0.005 . 2 . . . . . 15 . . . 6139 1 116 . 1 1 15 15 GLU N N 15 119.08 0.00 . 1 . . . . . 15 . . . 6139 1 117 . 1 1 16 16 CYS H H 1 8.281 0.002 . 1 . . . . . 16 . . . 6139 1 118 . 1 1 16 16 CYS HA H 1 4.271 0.004 . 1 . . . . . 16 . . . 6139 1 119 . 1 1 16 16 CYS HB2 H 1 3.246 0.002 . 1 . . . . . 16 . . . 6139 1 120 . 1 1 16 16 CYS HB3 H 1 3.055 0.001 . 1 . . . . . 16 . . . 6139 1 121 . 1 1 16 16 CYS N N 15 117.93 0.00 . 1 . . . . . 16 . . . 6139 1 122 . 1 1 17 17 SER H H 1 8.732 0.002 . 1 . . . . . 17 . . . 6139 1 123 . 1 1 17 17 SER HA H 1 4.356 0.003 . 1 . . . . . 17 . . . 6139 1 124 . 1 1 17 17 SER HB2 H 1 3.972 0.004 . 2 . . . . . 17 . . . 6139 1 125 . 1 1 17 17 SER HB3 H 1 4.151 0.003 . 2 . . . . . 17 . . . 6139 1 126 . 1 1 17 17 SER N N 15 118.77 0.00 . 1 . . . . . 17 . . . 6139 1 127 . 1 1 18 18 ASP H H 1 8.847 0.001 . 1 . . . . . 18 . . . 6139 1 128 . 1 1 18 18 ASP HA H 1 4.508 0.001 . 1 . . . . . 18 . . . 6139 1 129 . 1 1 18 18 ASP HB2 H 1 2.706 0.003 . 1 . . . . . 18 . . . 6139 1 130 . 1 1 18 18 ASP HB3 H 1 2.958 0.005 . 1 . . . . . 18 . . . 6139 1 131 . 1 1 18 18 ASP N N 15 125.58 0.00 . 1 . . . . . 18 . . . 6139 1 132 . 1 1 19 19 LYS H H 1 7.313 0.002 . 1 . . . . . 19 . . . 6139 1 133 . 1 1 19 19 LYS HA H 1 4.317 0.007 . 1 . . . . . 19 . . . 6139 1 134 . 1 1 19 19 LYS HB2 H 1 1.835 0.003 . 1 . . . . . 19 . . . 6139 1 135 . 1 1 19 19 LYS HB3 H 1 2.101 0.004 . 1 . . . . . 19 . . . 6139 1 136 . 1 1 19 19 LYS HG2 H 1 1.545 0.004 . 2 . . . . . 19 . . . 6139 1 137 . 1 1 19 19 LYS HG3 H 1 1.675 0.002 . 2 . . . . . 19 . . . 6139 1 138 . 1 1 19 19 LYS HD2 H 1 1.663 0.000 . 1 . . . . . 19 . . . 6139 1 139 . 1 1 19 19 LYS HD3 H 1 1.663 0.000 . 1 . . . . . 19 . . . 6139 1 140 . 1 1 19 19 LYS HE2 H 1 2.990 0.006 . 1 . . . . . 19 . . . 6139 1 141 . 1 1 19 19 LYS HE3 H 1 2.990 0.006 . 1 . . . . . 19 . . . 6139 1 142 . 1 1 19 19 LYS HZ1 H 1 7.75 0.080 . 1 . . . . . 19 . . . 6139 1 143 . 1 1 19 19 LYS HZ2 H 1 7.75 0.080 . 1 . . . . . 19 . . . 6139 1 144 . 1 1 19 19 LYS HZ3 H 1 7.75 0.080 . 1 . . . . . 19 . . . 6139 1 145 . 1 1 19 19 LYS N N 15 117.03 0.00 . 1 . . . . . 19 . . . 6139 1 146 . 1 1 20 20 GLY H H 1 8.046 0.004 . 1 . . . . . 20 . . . 6139 1 147 . 1 1 20 20 GLY HA2 H 1 3.815 0.002 . 1 . . . . . 20 . . . 6139 1 148 . 1 1 20 20 GLY HA3 H 1 4.214 0.002 . 1 . . . . . 20 . . . 6139 1 149 . 1 1 20 20 GLY N N 15 106.40 0.00 . 1 . . . . . 20 . . . 6139 1 150 . 1 1 21 21 ASN H H 1 7.020 0.005 . 1 . . . . . 21 . . . 6139 1 151 . 1 1 21 21 ASN HA H 1 4.575 0.000 . 1 . . . . . 21 . . . 6139 1 152 . 1 1 21 21 ASN HB2 H 1 2.409 0.003 . 2 . . . . . 21 . . . 6139 1 153 . 1 1 21 21 ASN HB3 H 1 2.772 0.003 . 2 . . . . . 21 . . . 6139 1 154 . 1 1 21 21 ASN HD21 H 1 7.321 0.002 . 1 . . . . . 21 . . . 6139 1 155 . 1 1 21 21 ASN HD22 H 1 7.260 0.005 . 1 . . . . . 21 . . . 6139 1 156 . 1 1 21 21 ASN N N 15 116.31 0.00 . 1 . . . . . 21 . . . 6139 1 157 . 1 1 21 21 ASN ND2 N 15 116.42 0.00 . 1 . . . . . 21 . . . 6139 1 158 . 1 1 22 22 GLY H H 1 8.784 0.002 . 1 . . . . . 22 . . . 6139 1 159 . 1 1 22 22 GLY HA2 H 1 4.101 0.002 . 1 . . . . . 22 . . . 6139 1 160 . 1 1 22 22 GLY HA3 H 1 4.101 0.002 . 1 . . . . . 22 . . . 6139 1 161 . 1 1 22 22 GLY N N 15 108.31 0.00 . 1 . . . . . 22 . . . 6139 1 162 . 1 1 23 23 PHE H H 1 8.505 0.002 . 1 . . . . . 23 . . . 6139 1 163 . 1 1 23 23 PHE HA H 1 4.202 0.003 . 1 . . . . . 23 . . . 6139 1 164 . 1 1 23 23 PHE HB2 H 1 3.242 0.002 . 2 . . . . . 23 . . . 6139 1 165 . 1 1 23 23 PHE HB3 H 1 3.339 0.001 . 2 . . . . . 23 . . . 6139 1 166 . 1 1 23 23 PHE HD1 H 1 7.369 0.003 . 4 . . . . . 23 . . . 6139 1 167 . 1 1 23 23 PHE HD2 H 1 7.369 0.003 . 4 . . . . . 23 . . . 6139 1 168 . 1 1 23 23 PHE HE1 H 1 7.369 0.003 . 4 . . . . . 23 . . . 6139 1 169 . 1 1 23 23 PHE HE2 H 1 7.369 0.003 . 4 . . . . . 23 . . . 6139 1 170 . 1 1 23 23 PHE HZ H 1 7.369 0.003 . 4 . . . . . 23 . . . 6139 1 171 . 1 1 23 23 PHE N N 15 121.11 0.00 . 1 . . . . . 23 . . . 6139 1 172 . 1 1 24 24 THR H H 1 8.552 0.002 . 1 . . . . . 24 . . . 6139 1 173 . 1 1 24 24 THR HA H 1 4.145 0.002 . 1 . . . . . 24 . . . 6139 1 174 . 1 1 24 24 THR HB H 1 4.225 0.005 . 1 . . . . . 24 . . . 6139 1 175 . 1 1 24 24 THR HG21 H 1 1.409 0.003 . 1 . . . . . 24 . . . 6139 1 176 . 1 1 24 24 THR HG22 H 1 1.409 0.003 . 1 . . . . . 24 . . . 6139 1 177 . 1 1 24 24 THR HG23 H 1 1.409 0.003 . 1 . . . . . 24 . . . 6139 1 178 . 1 1 24 24 THR N N 15 115.01 0.00 . 1 . . . . . 24 . . . 6139 1 179 . 1 1 25 25 PHE H H 1 8.032 0.002 . 1 . . . . . 25 . . . 6139 1 180 . 1 1 25 25 PHE HA H 1 4.131 0.003 . 1 . . . . . 25 . . . 6139 1 181 . 1 1 25 25 PHE HB2 H 1 3.183 0.004 . 1 . . . . . 25 . . . 6139 1 182 . 1 1 25 25 PHE HB3 H 1 3.113 0.004 . 1 . . . . . 25 . . . 6139 1 183 . 1 1 25 25 PHE HD1 H 1 7.053 0.002 . 1 . . . . . 25 . . . 6139 1 184 . 1 1 25 25 PHE HD2 H 1 7.053 0.002 . 1 . . . . . 25 . . . 6139 1 185 . 1 1 25 25 PHE HE1 H 1 7.272 0.003 . 4 . . . . . 25 . . . 6139 1 186 . 1 1 25 25 PHE HE2 H 1 7.272 0.003 . 4 . . . . . 25 . . . 6139 1 187 . 1 1 25 25 PHE HZ H 1 7.272 0.003 . 4 . . . . . 25 . . . 6139 1 188 . 1 1 25 25 PHE N N 15 123.60 0.00 . 1 . . . . . 25 . . . 6139 1 189 . 1 1 26 26 CYS H H 1 8.379 0.002 . 1 . . . . . 26 . . . 6139 1 190 . 1 1 26 26 CYS HA H 1 4.301 0.004 . 1 . . . . . 26 . . . 6139 1 191 . 1 1 26 26 CYS HB2 H 1 2.450 0.005 . 1 . . . . . 26 . . . 6139 1 192 . 1 1 26 26 CYS HB3 H 1 2.330 0.005 . 1 . . . . . 26 . . . 6139 1 193 . 1 1 26 26 CYS N N 15 117.37 0.00 . 1 . . . . . 26 . . . 6139 1 194 . 1 1 27 27 GLU H H 1 8.611 0.002 . 1 . . . . . 27 . . . 6139 1 195 . 1 1 27 27 GLU HA H 1 4.327 0.004 . 1 . . . . . 27 . . . 6139 1 196 . 1 1 27 27 GLU HB2 H 1 2.088 0.006 . 2 . . . . . 27 . . . 6139 1 197 . 1 1 27 27 GLU HB3 H 1 2.129 0.004 . 2 . . . . . 27 . . . 6139 1 198 . 1 1 27 27 GLU HG2 H 1 2.493 0.005 . 1 . . . . . 27 . . . 6139 1 199 . 1 1 27 27 GLU HG3 H 1 2.493 0.005 . 1 . . . . . 27 . . . 6139 1 200 . 1 1 27 27 GLU N N 15 123.33 0.00 . 1 . . . . . 27 . . . 6139 1 201 . 1 1 28 28 MET H H 1 7.617 0.001 . 1 . . . . . 28 . . . 6139 1 202 . 1 1 28 28 MET HA H 1 4.241 0.001 . 1 . . . . . 28 . . . 6139 1 203 . 1 1 28 28 MET HB2 H 1 2.077 0.004 . 1 . . . . . 28 . . . 6139 1 204 . 1 1 28 28 MET HB3 H 1 2.077 0.004 . 1 . . . . . 28 . . . 6139 1 205 . 1 1 28 28 MET HG2 H 1 2.735 0.006 . 1 . . . . . 28 . . . 6139 1 206 . 1 1 28 28 MET HG3 H 1 2.735 0.006 . 1 . . . . . 28 . . . 6139 1 207 . 1 1 28 28 MET HE1 H 1 2.050 0.009 . 1 . . . . . 28 . . . 6139 1 208 . 1 1 28 28 MET HE2 H 1 2.050 0.009 . 1 . . . . . 28 . . . 6139 1 209 . 1 1 28 28 MET HE3 H 1 2.050 0.009 . 1 . . . . . 28 . . . 6139 1 210 . 1 1 28 28 MET N N 15 117.42 0.00 . 1 . . . . . 28 . . . 6139 1 211 . 1 1 29 29 LYS H H 1 8.283 0.002 . 1 . . . . . 29 . . . 6139 1 212 . 1 1 29 29 LYS HA H 1 3.800 0.002 . 1 . . . . . 29 . . . 6139 1 213 . 1 1 29 29 LYS HB2 H 1 1.311 0.002 . 2 . . . . . 29 . . . 6139 1 214 . 1 1 29 29 LYS HB3 H 1 1.544 0.002 . 2 . . . . . 29 . . . 6139 1 215 . 1 1 29 29 LYS HG2 H 1 1.095 0.006 . 2 . . . . . 29 . . . 6139 1 216 . 1 1 29 29 LYS HG3 H 1 1.411 0.002 . 2 . . . . . 29 . . . 6139 1 217 . 1 1 29 29 LYS HD2 H 1 1.634 0.004 . 1 . . . . . 29 . . . 6139 1 218 . 1 1 29 29 LYS HD3 H 1 1.634 0.004 . 1 . . . . . 29 . . . 6139 1 219 . 1 1 29 29 LYS HE2 H 1 2.958 0.002 . 2 . . . . . 29 . . . 6139 1 220 . 1 1 29 29 LYS HE3 H 1 3.035 0.007 . 2 . . . . . 29 . . . 6139 1 221 . 1 1 29 29 LYS HZ1 H 1 7.75 0.080 . 1 . . . . . 29 . . . 6139 1 222 . 1 1 29 29 LYS HZ2 H 1 7.75 0.080 . 1 . . . . . 29 . . . 6139 1 223 . 1 1 29 29 LYS HZ3 H 1 7.75 0.080 . 1 . . . . . 29 . . . 6139 1 224 . 1 1 29 29 LYS N N 15 121.08 0.00 . 1 . . . . . 29 . . . 6139 1 225 . 1 1 30 30 CYS H H 1 8.338 0.002 . 1 . . . . . 30 . . . 6139 1 226 . 1 1 30 30 CYS HA H 1 4.549 0.002 . 1 . . . . . 30 . . . 6139 1 227 . 1 1 30 30 CYS HB2 H 1 2.671 0.004 . 1 . . . . . 30 . . . 6139 1 228 . 1 1 30 30 CYS HB3 H 1 2.515 0.003 . 1 . . . . . 30 . . . 6139 1 229 . 1 1 30 30 CYS N N 15 116.30 0.00 . 1 . . . . . 30 . . . 6139 1 230 . 1 1 31 31 ASP H H 1 8.575 0.001 . 1 . . . . . 31 . . . 6139 1 231 . 1 1 31 31 ASP HA H 1 4.775 0.002 . 1 . . . . . 31 . . . 6139 1 232 . 1 1 31 31 ASP HB2 H 1 3.099 0.005 . 1 . . . . . 31 . . . 6139 1 233 . 1 1 31 31 ASP HB3 H 1 2.858 0.004 . 1 . . . . . 31 . . . 6139 1 234 . 1 1 31 31 ASP N N 15 122.61 0.00 . 1 . . . . . 31 . . . 6139 1 235 . 1 1 32 32 THR H H 1 7.652 0.001 . 1 . . . . . 32 . . . 6139 1 236 . 1 1 32 32 THR HA H 1 4.037 0.004 . 1 . . . . . 32 . . . 6139 1 237 . 1 1 32 32 THR HB H 1 4.381 0.004 . 1 . . . . . 32 . . . 6139 1 238 . 1 1 32 32 THR HG21 H 1 1.287 0.002 . 1 . . . . . 32 . . . 6139 1 239 . 1 1 32 32 THR HG22 H 1 1.287 0.002 . 1 . . . . . 32 . . . 6139 1 240 . 1 1 32 32 THR HG23 H 1 1.287 0.002 . 1 . . . . . 32 . . . 6139 1 241 . 1 1 32 32 THR N N 15 115.72 0.00 . 1 . . . . . 32 . . . 6139 1 242 . 1 1 33 33 ASP H H 1 9.078 0.003 . 1 . . . . . 33 . . . 6139 1 243 . 1 1 33 33 ASP HA H 1 4.372 0.004 . 1 . . . . . 33 . . . 6139 1 244 . 1 1 33 33 ASP HB2 H 1 2.610 0.007 . 2 . . . . . 33 . . . 6139 1 245 . 1 1 33 33 ASP HB3 H 1 2.795 0.004 . 2 . . . . . 33 . . . 6139 1 246 . 1 1 33 33 ASP N N 15 122.18 0.00 . 1 . . . . . 33 . . . 6139 1 247 . 1 1 34 34 CYS H H 1 7.946 0.004 . 1 . . . . . 34 . . . 6139 1 248 . 1 1 34 34 CYS HA H 1 4.831 0.004 . 1 . . . . . 34 . . . 6139 1 249 . 1 1 34 34 CYS HB2 H 1 2.964 0.003 . 1 . . . . . 34 . . . 6139 1 250 . 1 1 34 34 CYS HB3 H 1 2.964 0.003 . 1 . . . . . 34 . . . 6139 1 251 . 1 1 34 34 CYS N N 15 114.07 0.00 . 1 . . . . . 34 . . . 6139 1 252 . 1 1 35 35 SER H H 1 7.889 0.002 . 1 . . . . . 35 . . . 6139 1 253 . 1 1 35 35 SER HA H 1 4.634 0.000 . 1 . . . . . 35 . . . 6139 1 254 . 1 1 35 35 SER HB2 H 1 4.124 0.003 . 1 . . . . . 35 . . . 6139 1 255 . 1 1 35 35 SER HB3 H 1 4.124 0.003 . 1 . . . . . 35 . . . 6139 1 256 . 1 1 35 35 SER N N 15 116.99 0.00 . 1 . . . . . 35 . . . 6139 1 257 . 1 1 36 36 VAL H H 1 7.952 0.003 . 1 . . . . . 36 . . . 6139 1 258 . 1 1 36 36 VAL HA H 1 4.129 0.004 . 1 . . . . . 36 . . . 6139 1 259 . 1 1 36 36 VAL HB H 1 2.202 0.003 . 1 . . . . . 36 . . . 6139 1 260 . 1 1 36 36 VAL HG11 H 1 0.997 0.004 . 2 . . . . . 36 . . . 6139 1 261 . 1 1 36 36 VAL HG12 H 1 0.997 0.004 . 2 . . . . . 36 . . . 6139 1 262 . 1 1 36 36 VAL HG13 H 1 0.997 0.004 . 2 . . . . . 36 . . . 6139 1 263 . 1 1 36 36 VAL HG21 H 1 1.032 0.002 . 2 . . . . . 36 . . . 6139 1 264 . 1 1 36 36 VAL HG22 H 1 1.032 0.002 . 2 . . . . . 36 . . . 6139 1 265 . 1 1 36 36 VAL HG23 H 1 1.032 0.002 . 2 . . . . . 36 . . . 6139 1 266 . 1 1 36 36 VAL N N 15 120.83 0.00 . 1 . . . . . 36 . . . 6139 1 267 . 1 1 37 37 LYS H H 1 8.218 0.005 . 1 . . . . . 37 . . . 6139 1 268 . 1 1 37 37 LYS HA H 1 4.274 0.001 . 1 . . . . . 37 . . . 6139 1 269 . 1 1 37 37 LYS HB2 H 1 1.854 0.002 . 1 . . . . . 37 . . . 6139 1 270 . 1 1 37 37 LYS HB3 H 1 1.854 0.002 . 1 . . . . . 37 . . . 6139 1 271 . 1 1 37 37 LYS HG2 H 1 1.473 0.005 . 1 . . . . . 37 . . . 6139 1 272 . 1 1 37 37 LYS HG3 H 1 1.473 0.005 . 1 . . . . . 37 . . . 6139 1 273 . 1 1 37 37 LYS HD2 H 1 1.663 0.00 . 2 . . . . . 37 . . . 6139 1 274 . 1 1 37 37 LYS HD3 H 1 1.775 0.001 . 2 . . . . . 37 . . . 6139 1 275 . 1 1 37 37 LYS HE2 H 1 2.978 0.005 . 1 . . . . . 37 . . . 6139 1 276 . 1 1 37 37 LYS HE3 H 1 2.978 0.005 . 1 . . . . . 37 . . . 6139 1 277 . 1 1 37 37 LYS HZ1 H 1 7.75 0.080 . 1 . . . . . 37 . . . 6139 1 278 . 1 1 37 37 LYS HZ2 H 1 7.75 0.080 . 1 . . . . . 37 . . . 6139 1 279 . 1 1 37 37 LYS HZ3 H 1 7.75 0.080 . 1 . . . . . 37 . . . 6139 1 280 . 1 1 37 37 LYS N N 15 123.33 0.00 . 1 . . . . . 37 . . . 6139 1 281 . 1 1 38 38 ASP H H 1 8.220 0.002 . 1 . . . . . 38 . . . 6139 1 282 . 1 1 38 38 ASP HA H 1 4.645 0.000 . 1 . . . . . 38 . . . 6139 1 283 . 1 1 38 38 ASP HB2 H 1 2.636 0.005 . 2 . . . . . 38 . . . 6139 1 284 . 1 1 38 38 ASP HB3 H 1 2.752 0.003 . 2 . . . . . 38 . . . 6139 1 285 . 1 1 38 38 ASP N N 15 120.82 0.00 . 1 . . . . . 38 . . . 6139 1 286 . 1 1 39 39 VAL H H 1 8.068 0.003 . 1 . . . . . 39 . . . 6139 1 287 . 1 1 39 39 VAL HA H 1 4.069 0.003 . 1 . . . . . 39 . . . 6139 1 288 . 1 1 39 39 VAL HB H 1 2.157 0.003 . 1 . . . . . 39 . . . 6139 1 289 . 1 1 39 39 VAL HG11 H 1 0.965 0.002 . 1 . . . . . 39 . . . 6139 1 290 . 1 1 39 39 VAL HG12 H 1 0.965 0.002 . 1 . . . . . 39 . . . 6139 1 291 . 1 1 39 39 VAL HG13 H 1 0.965 0.002 . 1 . . . . . 39 . . . 6139 1 292 . 1 1 39 39 VAL HG21 H 1 0.965 0.002 . 1 . . . . . 39 . . . 6139 1 293 . 1 1 39 39 VAL HG22 H 1 0.965 0.002 . 1 . . . . . 39 . . . 6139 1 294 . 1 1 39 39 VAL HG23 H 1 0.965 0.002 . 1 . . . . . 39 . . . 6139 1 295 . 1 1 39 39 VAL N N 15 120.44 0.00 . 1 . . . . . 39 . . . 6139 1 296 . 1 1 40 40 LYS H H 1 8.361 0.003 . 1 . . . . . 40 . . . 6139 1 297 . 1 1 40 40 LYS HA H 1 4.238 0.007 . 1 . . . . . 40 . . . 6139 1 298 . 1 1 40 40 LYS HB2 H 1 1.826 0.001 . 1 . . . . . 40 . . . 6139 1 299 . 1 1 40 40 LYS HB3 H 1 1.826 0.001 . 1 . . . . . 40 . . . 6139 1 300 . 1 1 40 40 LYS HG2 H 1 1.297 0.000 . 1 . . . . . 40 . . . 6139 1 301 . 1 1 40 40 LYS HG3 H 1 1.297 0.000 . 1 . . . . . 40 . . . 6139 1 302 . 1 1 40 40 LYS HD2 H 1 1.663 0.004 . 1 . . . . . 40 . . . 6139 1 303 . 1 1 40 40 LYS HD3 H 1 1.663 0.004 . 1 . . . . . 40 . . . 6139 1 304 . 1 1 40 40 LYS HE2 H 1 2.984 0.000 . 1 . . . . . 40 . . . 6139 1 305 . 1 1 40 40 LYS HE3 H 1 2.984 0.000 . 1 . . . . . 40 . . . 6139 1 306 . 1 1 40 40 LYS HZ1 H 1 7.75 0.080 . 1 . . . . . 40 . . . 6139 1 307 . 1 1 40 40 LYS HZ2 H 1 7.75 0.080 . 1 . . . . . 40 . . . 6139 1 308 . 1 1 40 40 LYS HZ3 H 1 7.75 0.080 . 1 . . . . . 40 . . . 6139 1 309 . 1 1 40 40 LYS N N 15 124.08 0.00 . 1 . . . . . 40 . . . 6139 1 310 . 1 1 41 41 GLU H H 1 8.313 0.002 . 1 . . . . . 41 . . . 6139 1 311 . 1 1 41 41 GLU HA H 1 4.206 0.002 . 1 . . . . . 41 . . . 6139 1 312 . 1 1 41 41 GLU HB2 H 1 1.976 0.001 . 2 . . . . . 41 . . . 6139 1 313 . 1 1 41 41 GLU HB3 H 1 2.034 0.003 . 2 . . . . . 41 . . . 6139 1 314 . 1 1 41 41 GLU HG2 H 1 2.286 0.001 . 1 . . . . . 41 . . . 6139 1 315 . 1 1 41 41 GLU HG3 H 1 2.286 0.001 . 1 . . . . . 41 . . . 6139 1 316 . 1 1 41 41 GLU N N 15 120.94 0.00 . 1 . . . . . 41 . . . 6139 1 317 . 1 1 42 42 LYS H H 1 8.233 0.002 . 1 . . . . . 42 . . . 6139 1 318 . 1 1 42 42 LYS HA H 1 4.279 0.001 . 1 . . . . . 42 . . . 6139 1 319 . 1 1 42 42 LYS HB2 H 1 1.789 0.006 . 2 . . . . . 42 . . . 6139 1 320 . 1 1 42 42 LYS HB3 H 1 1.838 0.000 . 2 . . . . . 42 . . . 6139 1 321 . 1 1 42 42 LYS HG2 H 1 1.372 0.000 . 2 . . . . . 42 . . . 6139 1 322 . 1 1 42 42 LYS HG3 H 1 1.480 0.007 . 2 . . . . . 42 . . . 6139 1 323 . 1 1 42 42 LYS HD2 H 1 1.664 0.002 . 1 . . . . . 42 . . . 6139 1 324 . 1 1 42 42 LYS HD3 H 1 1.664 0.002 . 1 . . . . . 42 . . . 6139 1 325 . 1 1 42 42 LYS HE2 H 1 2.984 0.003 . 1 . . . . . 42 . . . 6139 1 326 . 1 1 42 42 LYS HE3 H 1 2.984 0.003 . 1 . . . . . 42 . . . 6139 1 327 . 1 1 42 42 LYS HZ1 H 1 7.75 0.080 . 1 . . . . . 42 . . . 6139 1 328 . 1 1 42 42 LYS HZ2 H 1 7.75 0.080 . 1 . . . . . 42 . . . 6139 1 329 . 1 1 42 42 LYS HZ3 H 1 7.75 0.080 . 1 . . . . . 42 . . . 6139 1 330 . 1 1 42 42 LYS N N 15 121.94 0.00 . 1 . . . . . 42 . . . 6139 1 331 . 1 1 43 43 LEU H H 1 8.220 0.002 . 1 . . . . . 43 . . . 6139 1 332 . 1 1 43 43 LEU HA H 1 4.324 0.005 . 1 . . . . . 43 . . . 6139 1 333 . 1 1 43 43 LEU HB2 H 1 1.595 0.003 . 2 . . . . . 43 . . . 6139 1 334 . 1 1 43 43 LEU HB3 H 1 1.683 0.003 . 2 . . . . . 43 . . . 6139 1 335 . 1 1 43 43 LEU HG H 1 1.629 0.015 . 1 . . . . . 43 . . . 6139 1 336 . 1 1 43 43 LEU HD11 H 1 0.871 0.002 . 2 . . . . . 43 . . . 6139 1 337 . 1 1 43 43 LEU HD12 H 1 0.871 0.002 . 2 . . . . . 43 . . . 6139 1 338 . 1 1 43 43 LEU HD13 H 1 0.871 0.002 . 2 . . . . . 43 . . . 6139 1 339 . 1 1 43 43 LEU HD21 H 1 0.930 0.000 . 2 . . . . . 43 . . . 6139 1 340 . 1 1 43 43 LEU HD22 H 1 0.930 0.000 . 2 . . . . . 43 . . . 6139 1 341 . 1 1 43 43 LEU HD23 H 1 0.930 0.000 . 2 . . . . . 43 . . . 6139 1 342 . 1 1 43 43 LEU N N 15 123.33 0.00 . 1 . . . . . 43 . . . 6139 1 343 . 1 1 44 44 GLU H H 1 8.452 0.002 . 1 . . . . . 44 . . . 6139 1 344 . 1 1 44 44 GLU HA H 1 4.237 0.000 . 1 . . . . . 44 . . . 6139 1 345 . 1 1 44 44 GLU HB2 H 1 1.926 0.007 . 2 . . . . . 44 . . . 6139 1 346 . 1 1 44 44 GLU HB3 H 1 1.997 0.000 . 2 . . . . . 44 . . . 6139 1 347 . 1 1 44 44 GLU HG2 H 1 2.244 0.005 . 1 . . . . . 44 . . . 6139 1 348 . 1 1 44 44 GLU HG3 H 1 2.244 0.005 . 1 . . . . . 44 . . . 6139 1 349 . 1 1 44 44 GLU N N 15 121.11 0.00 . 1 . . . . . 44 . . . 6139 1 350 . 1 1 45 45 ASN H H 1 8.315 0.003 . 1 . . . . . 45 . . . 6139 1 351 . 1 1 45 45 ASN HA H 1 4.659 0.001 . 1 . . . . . 45 . . . 6139 1 352 . 1 1 45 45 ASN HB2 H 1 2.709 0.002 . 2 . . . . . 45 . . . 6139 1 353 . 1 1 45 45 ASN HB3 H 1 2.783 0.002 . 2 . . . . . 45 . . . 6139 1 354 . 1 1 45 45 ASN HD21 H 1 7.590 0.003 . 1 . . . . . 45 . . . 6139 1 355 . 1 1 45 45 ASN HD22 H 1 6.916 0.001 . 1 . . . . . 45 . . . 6139 1 356 . 1 1 45 45 ASN N N 15 122.64 0.00 . 1 . . . . . 45 . . . 6139 1 357 . 1 1 45 45 ASN ND2 N 15 112.72 0.00 . 1 . . . . . 45 . . . 6139 1 358 . 1 1 46 46 TYR H H 1 8.044 0.002 . 1 . . . . . 46 . . . 6139 1 359 . 1 1 46 46 TYR HA H 1 4.514 0.003 . 1 . . . . . 46 . . . 6139 1 360 . 1 1 46 46 TYR HB2 H 1 3.007 0.003 . 1 . . . . . 46 . . . 6139 1 361 . 1 1 46 46 TYR HB3 H 1 3.007 0.003 . 1 . . . . . 46 . . . 6139 1 362 . 1 1 46 46 TYR HD1 H 1 7.113 0.004 . 1 . . . . . 46 . . . 6139 1 363 . 1 1 46 46 TYR HD2 H 1 7.113 0.004 . 1 . . . . . 46 . . . 6139 1 364 . 1 1 46 46 TYR HE1 H 1 6.817 0.006 . 1 . . . . . 46 . . . 6139 1 365 . 1 1 46 46 TYR HE2 H 1 6.817 0.006 . 1 . . . . . 46 . . . 6139 1 366 . 1 1 46 46 TYR N N 15 120.74 0.00 . 1 . . . . . 46 . . . 6139 1 367 . 1 1 47 47 LYS H H 1 7.954 0.002 . 1 . . . . . 47 . . . 6139 1 368 . 1 1 47 47 LYS HA H 1 4.556 0.002 . 1 . . . . . 47 . . . 6139 1 369 . 1 1 47 47 LYS HB2 H 1 1.641 0.007 . 2 . . . . . 47 . . . 6139 1 370 . 1 1 47 47 LYS HB3 H 1 1.751 0.007 . 2 . . . . . 47 . . . 6139 1 371 . 1 1 47 47 LYS HG2 H 1 1.382 0.000 . 1 . . . . . 47 . . . 6139 1 372 . 1 1 47 47 LYS HG3 H 1 1.382 0.000 . 1 . . . . . 47 . . . 6139 1 373 . 1 1 47 47 LYS HD2 H 1 1.665 0.000 . 2 . . . . . 47 . . . 6139 1 374 . 1 1 47 47 LYS HD3 H 1 1.663 0.000 . 2 . . . . . 47 . . . 6139 1 375 . 1 1 47 47 LYS HE2 H 1 2.975 0.001 . 1 . . . . . 47 . . . 6139 1 376 . 1 1 47 47 LYS HE3 H 1 2.975 0.001 . 1 . . . . . 47 . . . 6139 1 377 . 1 1 47 47 LYS HZ1 H 1 7.75 0.080 . 1 . . . . . 47 . . . 6139 1 378 . 1 1 47 47 LYS HZ2 H 1 7.75 0.080 . 1 . . . . . 47 . . . 6139 1 379 . 1 1 47 47 LYS HZ3 H 1 7.75 0.080 . 1 . . . . . 47 . . . 6139 1 380 . 1 1 47 47 LYS N N 15 125.79 0.00 . 1 . . . . . 47 . . . 6139 1 381 . 1 1 48 48 PRO HA H 1 4.334 0.010 . 1 . . . . . 48 . . . 6139 1 382 . 1 1 48 48 PRO HB2 H 1 2.034 0.005 . 2 . . . . . 48 . . . 6139 1 383 . 1 1 48 48 PRO HB3 H 1 2.317 0.005 . 2 . . . . . 48 . . . 6139 1 384 . 1 1 48 48 PRO HG2 H 1 1.999 0.002 . 1 . . . . . 48 . . . 6139 1 385 . 1 1 48 48 PRO HG3 H 1 1.999 0.002 . 1 . . . . . 48 . . . 6139 1 386 . 1 1 48 48 PRO HD2 H 1 3.610 0.003 . 1 . . . . . 48 . . . 6139 1 387 . 1 1 48 48 PRO HD3 H 1 3.610 0.003 . 1 . . . . . 48 . . . 6139 1 388 . 1 1 49 49 LYS H H 1 7.956 0.002 . 1 . . . . . 49 . . . 6139 1 389 . 1 1 49 49 LYS HA H 1 4.107 0.006 . 1 . . . . . 49 . . . 6139 1 390 . 1 1 49 49 LYS HB2 H 1 1.710 0.005 . 2 . . . . . 49 . . . 6139 1 391 . 1 1 49 49 LYS HB3 H 1 1.824 0.003 . 2 . . . . . 49 . . . 6139 1 392 . 1 1 49 49 LYS HG2 H 1 1.429 0.002 . 1 . . . . . 49 . . . 6139 1 393 . 1 1 49 49 LYS HG3 H 1 1.429 0.002 . 1 . . . . . 49 . . . 6139 1 394 . 1 1 49 49 LYS HD2 H 1 1.660 0.000 . 1 . . . . . 49 . . . 6139 1 395 . 1 1 49 49 LYS HD3 H 1 1.660 0.000 . 1 . . . . . 49 . . . 6139 1 396 . 1 1 49 49 LYS HE2 H 1 3.004 0.006 . 1 . . . . . 49 . . . 6139 1 397 . 1 1 49 49 LYS HE3 H 1 3.004 0.006 . 1 . . . . . 49 . . . 6139 1 398 . 1 1 49 49 LYS HZ1 H 1 7.75 0.080 . 1 . . . . . 49 . . . 6139 1 399 . 1 1 49 49 LYS HZ2 H 1 7.75 0.080 . 1 . . . . . 49 . . . 6139 1 400 . 1 1 49 49 LYS HZ3 H 1 7.75 0.080 . 1 . . . . . 49 . . . 6139 1 401 . 1 1 49 49 LYS N N 15 126.59 0.00 . 1 . . . . . 49 . . . 6139 1 402 . 1 1 50 50 ASN H H 1 7.670 0.001 . 1 . . . . . 50 . . . 6139 1 403 . 1 1 50 50 ASN HA H 1 4.386 0.001 . 1 . . . . . 50 . . . 6139 1 404 . 1 1 50 50 ASN HB2 H 1 2.904 0.002 . 2 . . . . . 50 . . . 6139 1 405 . 1 1 50 50 ASN HB3 H 1 3.080 0.004 . 2 . . . . . 50 . . . 6139 1 406 . 1 1 50 50 ASN HD21 H 1 7.575 0.000 . 1 . . . . . 50 . . . 6139 1 407 . 1 1 50 50 ASN HD22 H 1 6.862 0.000 . 1 . . . . . 50 . . . 6139 1 408 . 1 1 50 50 ASN N N 15 125.44 0.00 . 1 . . . . . 50 . . . 6139 1 409 . 1 1 50 50 ASN ND2 N 15 112.99 0.00 . 1 . . . . . 50 . . . 6139 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 166 6139 1 1 167 6139 1 1 168 6139 1 1 169 6139 1 1 170 6139 1 2 185 6139 1 2 186 6139 1 2 187 6139 1 stop_ save_ save_cs_olee6_D2O _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode cs_olee6_D2O _Assigned_chem_shift_list.Entry_ID 6139 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $cond_pH6_D2O _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 1H-COSY . . . 6139 2 2 1H-TOCSY . . . 6139 2 3 1H-NOESY . . . 6139 2 4 1H-15N-HSQC . . . 6139 2 5 1H-15N-NOESY-HSQC . . . 6139 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 ASP HA H 1 4.299 0.002 . 1 . . . . . 1 . . . 6139 2 2 . 1 1 1 1 ASP HB2 H 1 2.943 0.006 . 2 . . . . . 1 . . . 6139 2 3 . 1 1 1 1 ASP HB3 H 1 3.016 0.006 . 2 . . . . . 1 . . . 6139 2 4 . 1 1 2 2 GLU HA H 1 4.275 0.001 . 1 . . . . . 2 . . . 6139 2 5 . 1 1 2 2 GLU HB2 H 1 2.064 0.005 . 2 . . . . . 2 . . . 6139 2 6 . 1 1 2 2 GLU HB3 H 1 2.117 0.001 . 2 . . . . . 2 . . . 6139 2 7 . 1 1 2 2 GLU HG2 H 1 2.360 0.003 . 1 . . . . . 2 . . . 6139 2 8 . 1 1 2 2 GLU HG3 H 1 2.360 0.003 . 1 . . . . . 2 . . . 6139 2 9 . 1 1 3 3 ALA HA H 1 4.219 0.003 . 1 . . . . . 3 . . . 6139 2 10 . 1 1 3 3 ALA HB1 H 1 1.485 0.001 . 1 . . . . . 3 . . . 6139 2 11 . 1 1 3 3 ALA HB2 H 1 1.485 0.001 . 1 . . . . . 3 . . . 6139 2 12 . 1 1 3 3 ALA HB3 H 1 1.485 0.001 . 1 . . . . . 3 . . . 6139 2 13 . 1 1 4 4 GLN HA H 1 4.201 0.005 . 1 . . . . . 4 . . . 6139 2 14 . 1 1 4 4 GLN HB2 H 1 2.174 0.003 . 1 . . . . . 4 . . . 6139 2 15 . 1 1 4 4 GLN HB3 H 1 2.174 0.003 . 1 . . . . . 4 . . . 6139 2 16 . 1 1 4 4 GLN HG2 H 1 2.412 0.008 . 2 . . . . . 4 . . . 6139 2 17 . 1 1 4 4 GLN HG3 H 1 2.538 0.001 . 2 . . . . . 4 . . . 6139 2 18 . 1 1 5 5 PHE HA H 1 4.347 0.002 . 1 . . . . . 5 . . . 6139 2 19 . 1 1 5 5 PHE HB2 H 1 3.254 0.001 . 1 . . . . . 5 . . . 6139 2 20 . 1 1 5 5 PHE HB3 H 1 3.166 0.004 . 1 . . . . . 5 . . . 6139 2 21 . 1 1 5 5 PHE HD1 H 1 7.189 0.003 . 4 . . . . . 5 . . . 6139 2 22 . 1 1 5 5 PHE HD2 H 1 7.189 0.003 . 4 . . . . . 5 . . . 6139 2 23 . 1 1 5 5 PHE HE1 H 1 7.189 0.003 . 4 . . . . . 5 . . . 6139 2 24 . 1 1 5 5 PHE HE2 H 1 7.189 0.003 . 4 . . . . . 5 . . . 6139 2 25 . 1 1 5 5 PHE HZ H 1 7.358 0.003 . 1 . . . . . 5 . . . 6139 2 26 . 1 1 6 6 LYS HA H 1 3.920 0.001 . 1 . . . . . 6 . . . 6139 2 27 . 1 1 6 6 LYS HB2 H 1 1.969 0.005 . 1 . . . . . 6 . . . 6139 2 28 . 1 1 6 6 LYS HB3 H 1 1.969 0.005 . 1 . . . . . 6 . . . 6139 2 29 . 1 1 6 6 LYS HG2 H 1 1.479 0.001 . 2 . . . . . 6 . . . 6139 2 30 . 1 1 6 6 LYS HG3 H 1 1.613 0.006 . 2 . . . . . 6 . . . 6139 2 31 . 1 1 6 6 LYS HD2 H 1 1.691 0.000 . 2 . . . . . 6 . . . 6139 2 32 . 1 1 6 6 LYS HD3 H 1 1.782 0.018 . 2 . . . . . 6 . . . 6139 2 33 . 1 1 6 6 LYS HE2 H 1 3.049 0.005 . 1 . . . . . 6 . . . 6139 2 34 . 1 1 6 6 LYS HE3 H 1 3.049 0.005 . 1 . . . . . 6 . . . 6139 2 35 . 1 1 7 7 GLU HA H 1 4.189 0.002 . 1 . . . . . 7 . . . 6139 2 36 . 1 1 7 7 GLU HB2 H 1 2.102 0.000 . 1 . . . . . 7 . . . 6139 2 37 . 1 1 7 7 GLU HB3 H 1 2.102 0.000 . 1 . . . . . 7 . . . 6139 2 38 . 1 1 7 7 GLU HG2 H 1 2.428 0.000 . 1 . . . . . 7 . . . 6139 2 39 . 1 1 7 7 GLU HG3 H 1 2.428 0.000 . 1 . . . . . 7 . . . 6139 2 40 . 1 1 8 8 CYS HA H 1 4.111 0.002 . 1 . . . . . 8 . . . 6139 2 41 . 1 1 8 8 CYS HB2 H 1 3.065 0.004 . 2 . . . . . 8 . . . 6139 2 42 . 1 1 8 8 CYS HB3 H 1 3.343 0.002 . 2 . . . . . 8 . . . 6139 2 43 . 1 1 9 9 TYR HA H 1 3.550 0.002 . 1 . . . . . 9 . . . 6139 2 44 . 1 1 9 9 TYR HB2 H 1 2.211 0.003 . 2 . . . . . 9 . . . 6139 2 45 . 1 1 9 9 TYR HB3 H 1 2.829 0.003 . 2 . . . . . 9 . . . 6139 2 46 . 1 1 9 9 TYR HD1 H 1 6.940 0.002 . 1 . . . . . 9 . . . 6139 2 47 . 1 1 9 9 TYR HD2 H 1 6.940 0.002 . 1 . . . . . 9 . . . 6139 2 48 . 1 1 9 9 TYR HE1 H 1 6.848 0.003 . 1 . . . . . 9 . . . 6139 2 49 . 1 1 9 9 TYR HE2 H 1 6.848 0.003 . 1 . . . . . 9 . . . 6139 2 50 . 1 1 10 10 ASP HA H 1 4.392 0.002 . 1 . . . . . 10 . . . 6139 2 51 . 1 1 10 10 ASP HB2 H 1 2.675 0.002 . 2 . . . . . 10 . . . 6139 2 52 . 1 1 10 10 ASP HB3 H 1 2.847 0.003 . 2 . . . . . 10 . . . 6139 2 53 . 1 1 11 11 THR HA H 1 3.978 0.004 . 1 . . . . . 11 . . . 6139 2 54 . 1 1 11 11 THR HB H 1 4.225 0.003 . 1 . . . . . 11 . . . 6139 2 55 . 1 1 11 11 THR HG21 H 1 1.270 0.002 . 1 . . . . . 11 . . . 6139 2 56 . 1 1 11 11 THR HG22 H 1 1.270 0.002 . 1 . . . . . 11 . . . 6139 2 57 . 1 1 11 11 THR HG23 H 1 1.270 0.002 . 1 . . . . . 11 . . . 6139 2 58 . 1 1 12 12 CYS HA H 1 4.203 0.005 . 1 . . . . . 12 . . . 6139 2 59 . 1 1 12 12 CYS HB2 H 1 3.106 0.002 . 1 . . . . . 12 . . . 6139 2 60 . 1 1 12 12 CYS HB3 H 1 3.106 0.002 . 1 . . . . . 12 . . . 6139 2 61 . 1 1 13 13 HIS HA H 1 3.592 0.003 . 1 . . . . . 13 . . . 6139 2 62 . 1 1 13 13 HIS HB2 H 1 2.554 0.004 . 1 . . . . . 13 . . . 6139 2 63 . 1 1 13 13 HIS HB3 H 1 2.939 0.003 . 1 . . . . . 13 . . . 6139 2 64 . 1 1 13 13 HIS HD2 H 1 6.350 0.002 . 1 . . . . . 13 . . . 6139 2 65 . 1 1 13 13 HIS HE1 H 1 7.651 0.000 . 1 . . . . . 13 . . . 6139 2 66 . 1 1 14 14 LYS HA H 1 4.201 0.001 . 1 . . . . . 14 . . . 6139 2 67 . 1 1 14 14 LYS HB2 H 1 2.028 0.002 . 1 . . . . . 14 . . . 6139 2 68 . 1 1 14 14 LYS HB3 H 1 2.028 0.002 . 1 . . . . . 14 . . . 6139 2 69 . 1 1 14 14 LYS HG2 H 1 1.496 0.007 . 2 . . . . . 14 . . . 6139 2 70 . 1 1 14 14 LYS HG3 H 1 1.559 0.002 . 2 . . . . . 14 . . . 6139 2 71 . 1 1 14 14 LYS HD2 H 1 1.705 0.005 . 2 . . . . . 14 . . . 6139 2 72 . 1 1 14 14 LYS HD3 H 1 1.800 0.002 . 2 . . . . . 14 . . . 6139 2 73 . 1 1 14 14 LYS HE2 H 1 3.053 0.004 . 1 . . . . . 14 . . . 6139 2 74 . 1 1 14 14 LYS HE3 H 1 3.053 0.004 . 1 . . . . . 14 . . . 6139 2 75 . 1 1 15 15 GLU HA H 1 4.068 0.002 . 1 . . . . . 15 . . . 6139 2 76 . 1 1 15 15 GLU HB2 H 1 2.039 0.003 . 2 . . . . . 15 . . . 6139 2 77 . 1 1 15 15 GLU HB3 H 1 2.094 0.004 . 2 . . . . . 15 . . . 6139 2 78 . 1 1 15 15 GLU HG2 H 1 2.234 0.005 . 2 . . . . . 15 . . . 6139 2 79 . 1 1 15 15 GLU HG3 H 1 2.433 0.002 . 2 . . . . . 15 . . . 6139 2 80 . 1 1 16 16 CYS HA H 1 4.273 0.001 . 1 . . . . . 16 . . . 6139 2 81 . 1 1 16 16 CYS HB2 H 1 3.237 0.004 . 1 . . . . . 16 . . . 6139 2 82 . 1 1 16 16 CYS HB3 H 1 3.035 0.003 . 1 . . . . . 16 . . . 6139 2 83 . 1 1 17 17 SER HA H 1 4.347 0.002 . 1 . . . . . 17 . . . 6139 2 84 . 1 1 17 17 SER HB2 H 1 3.955 0.001 . 2 . . . . . 17 . . . 6139 2 85 . 1 1 17 17 SER HB3 H 1 4.106 0.001 . 2 . . . . . 17 . . . 6139 2 86 . 1 1 18 18 ASP HA H 1 4.494 0.004 . 1 . . . . . 18 . . . 6139 2 87 . 1 1 18 18 ASP HB2 H 1 2.694 0.001 . 1 . . . . . 18 . . . 6139 2 88 . 1 1 18 18 ASP HB3 H 1 2.936 0.005 . 1 . . . . . 18 . . . 6139 2 89 . 1 1 19 19 LYS HA H 1 4.305 0.002 . 1 . . . . . 19 . . . 6139 2 90 . 1 1 19 19 LYS HB2 H 1 1.826 0.003 . 1 . . . . . 19 . . . 6139 2 91 . 1 1 19 19 LYS HB3 H 1 2.086 0.002 . 1 . . . . . 19 . . . 6139 2 92 . 1 1 19 19 LYS HG2 H 1 1.536 0.003 . 2 . . . . . 19 . . . 6139 2 93 . 1 1 19 19 LYS HG3 H 1 1.670 0.001 . 2 . . . . . 19 . . . 6139 2 94 . 1 1 19 19 LYS HD2 H 1 1.647 0.000 . 1 . . . . . 19 . . . 6139 2 95 . 1 1 19 19 LYS HD3 H 1 1.647 0.000 . 1 . . . . . 19 . . . 6139 2 96 . 1 1 19 19 LYS HE2 H 1 2.977 0.002 . 1 . . . . . 19 . . . 6139 2 97 . 1 1 19 19 LYS HE3 H 1 2.977 0.002 . 1 . . . . . 19 . . . 6139 2 98 . 1 1 20 20 GLY HA2 H 1 3.800 0.000 . 1 . . . . . 20 . . . 6139 2 99 . 1 1 20 20 GLY HA3 H 1 4.190 0.002 . 1 . . . . . 20 . . . 6139 2 100 . 1 1 21 21 ASN HA H 1 4.557 0.005 . 1 . . . . . 21 . . . 6139 2 101 . 1 1 21 21 ASN HB2 H 1 2.408 0.004 . 2 . . . . . 21 . . . 6139 2 102 . 1 1 21 21 ASN HB3 H 1 2.765 0.006 . 2 . . . . . 21 . . . 6139 2 103 . 1 1 23 23 PHE HA H 1 4.195 0.002 . 1 . . . . . 23 . . . 6139 2 104 . 1 1 23 23 PHE HB2 H 1 3.228 0.001 . 2 . . . . . 23 . . . 6139 2 105 . 1 1 23 23 PHE HB3 H 1 3.324 0.003 . 2 . . . . . 23 . . . 6139 2 106 . 1 1 23 23 PHE HD1 H 1 7.354 0.003 . 4 . . . . . 23 . . . 6139 2 107 . 1 1 23 23 PHE HD2 H 1 7.354 0.003 . 4 . . . . . 23 . . . 6139 2 108 . 1 1 23 23 PHE HE1 H 1 7.354 0.003 . 4 . . . . . 23 . . . 6139 2 109 . 1 1 23 23 PHE HE2 H 1 7.354 0.003 . 4 . . . . . 23 . . . 6139 2 110 . 1 1 23 23 PHE HZ H 1 7.354 0.003 . 4 . . . . . 23 . . . 6139 2 111 . 1 1 24 24 THR HA H 1 4.095 0.002 . 1 . . . . . 24 . . . 6139 2 112 . 1 1 24 24 THR HB H 1 4.208 0.002 . 1 . . . . . 24 . . . 6139 2 113 . 1 1 24 24 THR HG21 H 1 1.380 0.001 . 1 . . . . . 24 . . . 6139 2 114 . 1 1 24 24 THR HG22 H 1 1.380 0.001 . 1 . . . . . 24 . . . 6139 2 115 . 1 1 24 24 THR HG23 H 1 1.380 0.001 . 1 . . . . . 24 . . . 6139 2 116 . 1 1 25 25 PHE HA H 1 4.118 0.001 . 1 . . . . . 25 . . . 6139 2 117 . 1 1 25 25 PHE HB2 H 1 3.171 0.002 . 1 . . . . . 25 . . . 6139 2 118 . 1 1 25 25 PHE HB3 H 1 3.088 0.001 . 1 . . . . . 25 . . . 6139 2 119 . 1 1 25 25 PHE HD1 H 1 7.044 0.002 . 1 . . . . . 25 . . . 6139 2 120 . 1 1 25 25 PHE HD2 H 1 7.044 0.002 . 1 . . . . . 25 . . . 6139 2 121 . 1 1 25 25 PHE HE1 H 1 7.261 0.002 . 4 . . . . . 25 . . . 6139 2 122 . 1 1 25 25 PHE HE2 H 1 7.261 0.002 . 4 . . . . . 25 . . . 6139 2 123 . 1 1 25 25 PHE HZ H 1 7.261 0.002 . 4 . . . . . 25 . . . 6139 2 124 . 1 1 26 26 CYS HA H 1 4.309 0.004 . 1 . . . . . 26 . . . 6139 2 125 . 1 1 26 26 CYS HB2 H 1 2.480 0.004 . 1 . . . . . 26 . . . 6139 2 126 . 1 1 26 26 CYS HB3 H 1 2.357 0.005 . 1 . . . . . 26 . . . 6139 2 127 . 1 1 27 27 GLU HA H 1 4.309 0.002 . 1 . . . . . 27 . . . 6139 2 128 . 1 1 27 27 GLU HB2 H 1 2.041 0.001 . 2 . . . . . 27 . . . 6139 2 129 . 1 1 27 27 GLU HB3 H 1 2.168 0.003 . 2 . . . . . 27 . . . 6139 2 130 . 1 1 27 27 GLU HG2 H 1 2.487 0.007 . 1 . . . . . 27 . . . 6139 2 131 . 1 1 27 27 GLU HG3 H 1 2.487 0.007 . 1 . . . . . 27 . . . 6139 2 132 . 1 1 28 28 MET HA H 1 4.225 0.002 . 1 . . . . . 28 . . . 6139 2 133 . 1 1 28 28 MET HB2 H 1 2.064 0.002 . 1 . . . . . 28 . . . 6139 2 134 . 1 1 28 28 MET HB3 H 1 2.064 0.002 . 1 . . . . . 28 . . . 6139 2 135 . 1 1 28 28 MET HG2 H 1 2.717 0.002 . 1 . . . . . 28 . . . 6139 2 136 . 1 1 28 28 MET HG3 H 1 2.717 0.002 . 1 . . . . . 28 . . . 6139 2 137 . 1 1 29 29 LYS HA H 1 3.795 0.001 . 1 . . . . . 29 . . . 6139 2 138 . 1 1 29 29 LYS HB2 H 1 1.306 0.005 . 2 . . . . . 29 . . . 6139 2 139 . 1 1 29 29 LYS HB3 H 1 1.540 0.002 . 2 . . . . . 29 . . . 6139 2 140 . 1 1 29 29 LYS HG2 H 1 1.092 0.003 . 2 . . . . . 29 . . . 6139 2 141 . 1 1 29 29 LYS HG3 H 1 1.407 0.004 . 2 . . . . . 29 . . . 6139 2 142 . 1 1 29 29 LYS HD2 H 1 1.618 0.006 . 1 . . . . . 29 . . . 6139 2 143 . 1 1 29 29 LYS HD3 H 1 1.618 0.006 . 1 . . . . . 29 . . . 6139 2 144 . 1 1 29 29 LYS HE2 H 1 2.944 0.005 . 2 . . . . . 29 . . . 6139 2 145 . 1 1 29 29 LYS HE3 H 1 3.014 0.006 . 2 . . . . . 29 . . . 6139 2 146 . 1 1 30 30 CYS HA H 1 4.547 0.002 . 1 . . . . . 30 . . . 6139 2 147 . 1 1 30 30 CYS HB2 H 1 2.690 0.003 . 1 . . . . . 30 . . . 6139 2 148 . 1 1 30 30 CYS HB3 H 1 2.521 0.003 . 1 . . . . . 30 . . . 6139 2 149 . 1 1 31 31 ASP HB2 H 1 3.120 0.005 . 1 . . . . . 31 . . . 6139 2 150 . 1 1 31 31 ASP HB3 H 1 2.895 0.001 . 1 . . . . . 31 . . . 6139 2 151 . 1 1 32 32 THR HA H 1 4.036 0.001 . 1 . . . . . 32 . . . 6139 2 152 . 1 1 32 32 THR HB H 1 4.373 0.002 . 1 . . . . . 32 . . . 6139 2 153 . 1 1 32 32 THR HG21 H 1 1.274 0.002 . 1 . . . . . 32 . . . 6139 2 154 . 1 1 32 32 THR HG22 H 1 1.274 0.002 . 1 . . . . . 32 . . . 6139 2 155 . 1 1 32 32 THR HG23 H 1 1.274 0.002 . 1 . . . . . 32 . . . 6139 2 156 . 1 1 33 33 ASP HA H 1 4.352 0.002 . 1 . . . . . 33 . . . 6139 2 157 . 1 1 33 33 ASP HB2 H 1 2.607 0.001 . 2 . . . . . 33 . . . 6139 2 158 . 1 1 33 33 ASP HB3 H 1 2.786 0.005 . 2 . . . . . 33 . . . 6139 2 159 . 1 1 34 34 CYS HB2 H 1 2.954 0.006 . 1 . . . . . 34 . . . 6139 2 160 . 1 1 34 34 CYS HB3 H 1 2.954 0.006 . 1 . . . . . 34 . . . 6139 2 161 . 1 1 35 35 SER HA H 1 4.605 0.002 . 1 . . . . . 35 . . . 6139 2 162 . 1 1 35 35 SER HB2 H 1 4.109 0.003 . 1 . . . . . 35 . . . 6139 2 163 . 1 1 35 35 SER HB3 H 1 4.109 0.003 . 1 . . . . . 35 . . . 6139 2 164 . 1 1 36 36 VAL HA H 1 4.109 0.002 . 1 . . . . . 36 . . . 6139 2 165 . 1 1 36 36 VAL HB H 1 2.183 0.004 . 1 . . . . . 36 . . . 6139 2 166 . 1 1 36 36 VAL HG11 H 1 0.986 0.001 . 2 . . . . . 36 . . . 6139 2 167 . 1 1 36 36 VAL HG12 H 1 0.986 0.001 . 2 . . . . . 36 . . . 6139 2 168 . 1 1 36 36 VAL HG13 H 1 0.986 0.001 . 2 . . . . . 36 . . . 6139 2 169 . 1 1 36 36 VAL HG21 H 1 1.020 0.003 . 2 . . . . . 36 . . . 6139 2 170 . 1 1 36 36 VAL HG22 H 1 1.020 0.003 . 2 . . . . . 36 . . . 6139 2 171 . 1 1 36 36 VAL HG23 H 1 1.020 0.003 . 2 . . . . . 36 . . . 6139 2 172 . 1 1 37 37 LYS HA H 1 4.270 0.000 . 1 . . . . . 37 . . . 6139 2 173 . 1 1 37 37 LYS HB2 H 1 1.866 0.000 . 1 . . . . . 37 . . . 6139 2 174 . 1 1 37 37 LYS HB3 H 1 1.866 0.000 . 1 . . . . . 37 . . . 6139 2 175 . 1 1 37 37 LYS HD2 H 1 1.670 0.002 . 2 . . . . . 37 . . . 6139 2 176 . 1 1 37 37 LYS HD3 H 1 1.770 0.002 . 2 . . . . . 37 . . . 6139 2 177 . 1 1 37 37 LYS HE2 H 1 2.977 0.001 . 1 . . . . . 37 . . . 6139 2 178 . 1 1 37 37 LYS HE3 H 1 2.977 0.001 . 1 . . . . . 37 . . . 6139 2 179 . 1 1 38 38 ASP HA H 1 4.633 0.002 . 1 . . . . . 38 . . . 6139 2 180 . 1 1 38 38 ASP HB2 H 1 2.627 0.001 . 2 . . . . . 38 . . . 6139 2 181 . 1 1 38 38 ASP HB3 H 1 2.740 0.003 . 2 . . . . . 38 . . . 6139 2 182 . 1 1 39 39 VAL HA H 1 4.053 0.004 . 1 . . . . . 39 . . . 6139 2 183 . 1 1 39 39 VAL HB H 1 2.138 0.003 . 1 . . . . . 39 . . . 6139 2 184 . 1 1 39 39 VAL HG11 H 1 0.952 0.001 . 1 . . . . . 39 . . . 6139 2 185 . 1 1 39 39 VAL HG12 H 1 0.952 0.001 . 1 . . . . . 39 . . . 6139 2 186 . 1 1 39 39 VAL HG13 H 1 0.952 0.001 . 1 . . . . . 39 . . . 6139 2 187 . 1 1 39 39 VAL HG21 H 1 0.952 0.001 . 1 . . . . . 39 . . . 6139 2 188 . 1 1 39 39 VAL HG22 H 1 0.952 0.001 . 1 . . . . . 39 . . . 6139 2 189 . 1 1 39 39 VAL HG23 H 1 0.952 0.001 . 1 . . . . . 39 . . . 6139 2 190 . 1 1 40 40 LYS HA H 1 4.230 0.000 . 1 . . . . . 40 . . . 6139 2 191 . 1 1 40 40 LYS HB2 H 1 1.804 0.003 . 1 . . . . . 40 . . . 6139 2 192 . 1 1 40 40 LYS HB3 H 1 1.804 0.003 . 1 . . . . . 40 . . . 6139 2 193 . 1 1 40 40 LYS HD2 H 1 1.668 0.001 . 1 . . . . . 40 . . . 6139 2 194 . 1 1 40 40 LYS HD3 H 1 1.668 0.001 . 1 . . . . . 40 . . . 6139 2 195 . 1 1 40 40 LYS HE2 H 1 2.983 0.000 . 1 . . . . . 40 . . . 6139 2 196 . 1 1 40 40 LYS HE3 H 1 2.983 0.000 . 1 . . . . . 40 . . . 6139 2 197 . 1 1 42 42 LYS HA H 1 4.234 0.003 . 1 . . . . . 42 . . . 6139 2 198 . 1 1 42 42 LYS HB2 H 1 1.755 0.004 . 2 . . . . . 42 . . . 6139 2 199 . 1 1 42 42 LYS HB3 H 1 1.814 0.004 . 2 . . . . . 42 . . . 6139 2 200 . 1 1 42 42 LYS HG2 H 1 1.422 0.001 . 2 . . . . . 42 . . . 6139 2 201 . 1 1 42 42 LYS HG3 H 1 1.487 0.000 . 2 . . . . . 42 . . . 6139 2 202 . 1 1 42 42 LYS HD2 H 1 1.678 0.006 . 1 . . . . . 42 . . . 6139 2 203 . 1 1 42 42 LYS HD3 H 1 1.678 0.006 . 1 . . . . . 42 . . . 6139 2 204 . 1 1 42 42 LYS HE2 H 1 2.978 0.002 . 1 . . . . . 42 . . . 6139 2 205 . 1 1 42 42 LYS HE3 H 1 2.978 0.002 . 1 . . . . . 42 . . . 6139 2 206 . 1 1 43 43 LEU HA H 1 4.321 0.002 . 1 . . . . . 43 . . . 6139 2 207 . 1 1 43 43 LEU HB2 H 1 1.575 0.007 . 2 . . . . . 43 . . . 6139 2 208 . 1 1 43 43 LEU HB3 H 1 1.676 0.000 . 2 . . . . . 43 . . . 6139 2 209 . 1 1 43 43 LEU HG H 1 1.602 0.000 . 1 . . . . . 43 . . . 6139 2 210 . 1 1 43 43 LEU HD11 H 1 0.852 0.002 . 2 . . . . . 43 . . . 6139 2 211 . 1 1 43 43 LEU HD12 H 1 0.852 0.002 . 2 . . . . . 43 . . . 6139 2 212 . 1 1 43 43 LEU HD13 H 1 0.852 0.002 . 2 . . . . . 43 . . . 6139 2 213 . 1 1 43 43 LEU HD21 H 1 0.907 0.001 . 2 . . . . . 43 . . . 6139 2 214 . 1 1 43 43 LEU HD22 H 1 0.907 0.001 . 2 . . . . . 43 . . . 6139 2 215 . 1 1 43 43 LEU HD23 H 1 0.907 0.001 . 2 . . . . . 43 . . . 6139 2 216 . 1 1 44 44 GLU HA H 1 4.225 0.002 . 1 . . . . . 44 . . . 6139 2 217 . 1 1 44 44 GLU HB2 H 1 1.902 0.000 . 2 . . . . . 44 . . . 6139 2 218 . 1 1 44 44 GLU HB3 H 1 1.954 0.003 . 2 . . . . . 44 . . . 6139 2 219 . 1 1 44 44 GLU HG2 H 1 2.244 0.003 . 1 . . . . . 44 . . . 6139 2 220 . 1 1 44 44 GLU HG3 H 1 2.244 0.003 . 1 . . . . . 44 . . . 6139 2 221 . 1 1 45 45 ASN HA H 1 4.640 0.001 . 1 . . . . . 45 . . . 6139 2 222 . 1 1 45 45 ASN HB2 H 1 2.686 0.000 . 2 . . . . . 45 . . . 6139 2 223 . 1 1 45 45 ASN HB3 H 1 2.775 0.000 . 2 . . . . . 45 . . . 6139 2 224 . 1 1 46 46 TYR HA H 1 4.504 0.001 . 1 . . . . . 46 . . . 6139 2 225 . 1 1 46 46 TYR HB2 H 1 2.993 0.000 . 1 . . . . . 46 . . . 6139 2 226 . 1 1 46 46 TYR HB3 H 1 2.993 0.000 . 1 . . . . . 46 . . . 6139 2 227 . 1 1 46 46 TYR HD1 H 1 7.091 0.005 . 4 . . . . . 46 . . . 6139 2 228 . 1 1 46 46 TYR HD2 H 1 7.091 0.005 . 4 . . . . . 46 . . . 6139 2 229 . 1 1 46 46 TYR HE1 H 1 6.810 0.011 . 1 . . . . . 46 . . . 6139 2 230 . 1 1 46 46 TYR HE2 H 1 6.810 0.011 . 1 . . . . . 46 . . . 6139 2 231 . 1 1 46 46 TYR HH H 1 7.091 0.005 . 4 . . . . . 46 . . . 6139 2 232 . 1 1 47 47 LYS HA H 1 4.541 0.001 . 1 . . . . . 47 . . . 6139 2 233 . 1 1 47 47 LYS HB2 H 1 1.629 0.000 . 2 . . . . . 47 . . . 6139 2 234 . 1 1 47 47 LYS HB3 H 1 1.741 0.006 . 2 . . . . . 47 . . . 6139 2 235 . 1 1 47 47 LYS HG2 H 1 1.378 0.000 . 1 . . . . . 47 . . . 6139 2 236 . 1 1 47 47 LYS HG3 H 1 1.378 0.000 . 1 . . . . . 47 . . . 6139 2 237 . 1 1 47 47 LYS HE2 H 1 2.977 0.000 . 1 . . . . . 47 . . . 6139 2 238 . 1 1 47 47 LYS HE3 H 1 2.977 0.000 . 1 . . . . . 47 . . . 6139 2 239 . 1 1 48 48 PRO HA H 1 4.324 0.000 . 1 . . . . . 48 . . . 6139 2 240 . 1 1 48 48 PRO HB2 H 1 2.019 0.004 . 2 . . . . . 48 . . . 6139 2 241 . 1 1 48 48 PRO HB3 H 1 2.301 0.003 . 2 . . . . . 48 . . . 6139 2 242 . 1 1 48 48 PRO HG2 H 1 1.979 0.001 . 1 . . . . . 48 . . . 6139 2 243 . 1 1 48 48 PRO HG3 H 1 1.979 0.001 . 1 . . . . . 48 . . . 6139 2 244 . 1 1 48 48 PRO HD2 H 1 3.595 0.002 . 1 . . . . . 48 . . . 6139 2 245 . 1 1 48 48 PRO HD3 H 1 3.595 0.002 . 1 . . . . . 48 . . . 6139 2 246 . 1 1 49 49 LYS HA H 1 4.108 0.002 . 1 . . . . . 49 . . . 6139 2 247 . 1 1 49 49 LYS HB2 H 1 1.719 0.006 . 2 . . . . . 49 . . . 6139 2 248 . 1 1 49 49 LYS HB3 H 1 1.811 0.004 . 2 . . . . . 49 . . . 6139 2 249 . 1 1 49 49 LYS HG2 H 1 1.430 0.002 . 1 . . . . . 49 . . . 6139 2 250 . 1 1 49 49 LYS HG3 H 1 1.430 0.002 . 1 . . . . . 49 . . . 6139 2 251 . 1 1 49 49 LYS HD2 H 1 1.684 0.000 . 1 . . . . . 49 . . . 6139 2 252 . 1 1 49 49 LYS HD3 H 1 1.684 0.000 . 1 . . . . . 49 . . . 6139 2 253 . 1 1 49 49 LYS HE2 H 1 3.003 0.001 . 1 . . . . . 49 . . . 6139 2 254 . 1 1 49 49 LYS HE3 H 1 3.003 0.001 . 1 . . . . . 49 . . . 6139 2 255 . 1 1 50 50 ASN HA H 1 4.376 0.003 . 1 . . . . . 50 . . . 6139 2 256 . 1 1 50 50 ASN HB2 H 1 2.894 0.001 . 2 . . . . . 50 . . . 6139 2 257 . 1 1 50 50 ASN HB3 H 1 3.067 0.004 . 2 . . . . . 50 . . . 6139 2 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 21 6139 2 1 22 6139 2 1 23 6139 2 1 24 6139 2 2 106 6139 2 2 107 6139 2 2 108 6139 2 2 109 6139 2 2 110 6139 2 3 121 6139 2 3 122 6139 2 3 123 6139 2 4 227 6139 2 4 228 6139 2 4 231 6139 2 stop_ save_