data_4290 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4290 _Entry.Title ; Sequence-specific 1H Assignment of Antimicrobial Protein Tachycitin. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-01-04 _Entry.Accession_date 1999-01-06 _Entry.Last_release_date 2000-10-30 _Entry.Original_release_date 2000-10-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Tetsuya Suetake . . . 4290 2 Sakae Tsuda . . . 4290 3 Shun-ichiro Kawabata . . . 4290 4 Keiichi Kawano . . . 4290 5 Kazunori Miura . . . 4290 6 Sadaaki Iwanaga . . . 4290 7 Kunio Hikichi . . . 4290 8 Katsutoshi Nitta . . . 4290 9 Kawano Keiichi . . . 4290 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4290 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 496 4290 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 . . 2000-10-30 1999-01-04 original author . 4290 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4290 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20309732 _Citation.DOI . _Citation.PubMed_ID 10770921 _Citation.Full_citation . _Citation.Title ; Chitin-binding Proteins in Invertebrates and Plants Comprise a Common Chitin-binding Structural Motif ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 275 _Citation.Journal_issue 24 _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 17929 _Citation.Page_last 17932 _Citation.Year 2000 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Tetsuya Suetake . . . 4290 1 2 Sakae Tsuda . . . 4290 1 3 Shun-ichiro Kawabata . . . 4290 1 4 Keiichi Kawano . . . 4290 1 5 Kazunori Miura . . . 4290 1 6 Sadaaki Iwanaga . . . 4290 1 7 Kunio Hikichi . . . 4290 1 8 Katsutoshi Nitta . . . 4290 1 9 Kawano Keiichi . . . 4290 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_tachycitin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_tachycitin _Assembly.Entry_ID 4290 _Assembly.ID 1 _Assembly.Name tachycitin _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 . _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 4290 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 tachycitin 1 $tachycitin . . . native . . . . . 4290 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_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_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 6 6 SG . 1 . 1 CYS 33 33 SG . . . . . . . . . . 4290 1 2 disulfide single . 1 . 1 CYS 12 12 SG . 1 . 1 CYS 30 30 SG . . . . . . . . . . 4290 1 3 disulfide single . 1 . 1 CYS 24 24 SG . 1 . 1 CYS 62 62 SG . . . . . . . . . . 4290 1 4 disulfide single . 1 . 1 CYS 25 25 SG . 1 . 1 CYS 68 68 SG . . . . . . . . . . 4290 1 5 disulfide single . 1 . 1 CYS 40 40 SG . 1 . 1 CYS 53 53 SG . . . . . . . . . . 4290 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 6 6 HG . . . . 4290 1 2 . 1 1 CYS 12 12 HG . . . . 4290 1 3 . 1 1 CYS 24 24 HG . . . . 4290 1 4 . 1 1 CYS 25 25 HG . . . . 4290 1 5 . 1 1 CYS 30 30 HG . . . . 4290 1 6 . 1 1 CYS 33 33 HG . . . . 4290 1 7 . 1 1 CYS 40 40 HG . . . . 4290 1 8 . 1 1 CYS 53 53 HG . . . . 4290 1 9 . 1 1 CYS 62 62 HG . . . . 4290 1 10 . 1 1 CYS 68 68 HG . . . . 4290 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 1DQC . 'A Chain A, Solution Structure Of Tachycitin, An Antimicrobial Protein With Chitin-Binding Function' . . . . 4290 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID tachycitin abbreviation 4290 1 tachycitin system 4290 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'antimicrobial activity' 4290 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_tachycitin _Entity.Sf_category entity _Entity.Sf_framecode tachycitin _Entity.Entry_ID 4290 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name tachycitin _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 ; YLAFRCGRYSPCLDDGPNVN LYSCCSFYNCHKCLARLENC PKGLHYNAYLKVCDWPSKAG CTSVNKECHLWKT ; _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 73 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8364 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 1DQC . "Solution Structure Of Tachycitin, An Antimicrobial Protein With Chitin-Binding Function" . . . . . 100.00 74 100.00 100.00 4.73e-45 . . . . 4290 1 2 no DBJ BAA12864 . "tachycitin [Tachypleus tridentatus]" . . . . . 100.00 98 100.00 100.00 2.52e-46 . . . . 4290 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID tachycitin abbreviation 4290 1 tachycitin common 4290 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 . TYR . 4290 1 2 . LEU . 4290 1 3 . ALA . 4290 1 4 . PHE . 4290 1 5 . ARG . 4290 1 6 . CYS . 4290 1 7 . GLY . 4290 1 8 . ARG . 4290 1 9 . TYR . 4290 1 10 . SER . 4290 1 11 . PRO . 4290 1 12 . CYS . 4290 1 13 . LEU . 4290 1 14 . ASP . 4290 1 15 . ASP . 4290 1 16 . GLY . 4290 1 17 . PRO . 4290 1 18 . ASN . 4290 1 19 . VAL . 4290 1 20 . ASN . 4290 1 21 . LEU . 4290 1 22 . TYR . 4290 1 23 . SER . 4290 1 24 . CYS . 4290 1 25 . CYS . 4290 1 26 . SER . 4290 1 27 . PHE . 4290 1 28 . TYR . 4290 1 29 . ASN . 4290 1 30 . CYS . 4290 1 31 . HIS . 4290 1 32 . LYS . 4290 1 33 . CYS . 4290 1 34 . LEU . 4290 1 35 . ALA . 4290 1 36 . ARG . 4290 1 37 . LEU . 4290 1 38 . GLU . 4290 1 39 . ASN . 4290 1 40 . CYS . 4290 1 41 . PRO . 4290 1 42 . LYS . 4290 1 43 . GLY . 4290 1 44 . LEU . 4290 1 45 . HIS . 4290 1 46 . TYR . 4290 1 47 . ASN . 4290 1 48 . ALA . 4290 1 49 . TYR . 4290 1 50 . LEU . 4290 1 51 . LYS . 4290 1 52 . VAL . 4290 1 53 . CYS . 4290 1 54 . ASP . 4290 1 55 . TRP . 4290 1 56 . PRO . 4290 1 57 . SER . 4290 1 58 . LYS . 4290 1 59 . ALA . 4290 1 60 . GLY . 4290 1 61 . CYS . 4290 1 62 . THR . 4290 1 63 . SER . 4290 1 64 . VAL . 4290 1 65 . ASN . 4290 1 66 . LYS . 4290 1 67 . GLU . 4290 1 68 . CYS . 4290 1 69 . HIS . 4290 1 70 . LEU . 4290 1 71 . TRP . 4290 1 72 . LYS . 4290 1 73 . THR . 4290 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 . TYR 1 1 4290 1 . LEU 2 2 4290 1 . ALA 3 3 4290 1 . PHE 4 4 4290 1 . ARG 5 5 4290 1 . CYS 6 6 4290 1 . GLY 7 7 4290 1 . ARG 8 8 4290 1 . TYR 9 9 4290 1 . SER 10 10 4290 1 . PRO 11 11 4290 1 . CYS 12 12 4290 1 . LEU 13 13 4290 1 . ASP 14 14 4290 1 . ASP 15 15 4290 1 . GLY 16 16 4290 1 . PRO 17 17 4290 1 . ASN 18 18 4290 1 . VAL 19 19 4290 1 . ASN 20 20 4290 1 . LEU 21 21 4290 1 . TYR 22 22 4290 1 . SER 23 23 4290 1 . CYS 24 24 4290 1 . CYS 25 25 4290 1 . SER 26 26 4290 1 . PHE 27 27 4290 1 . TYR 28 28 4290 1 . ASN 29 29 4290 1 . CYS 30 30 4290 1 . HIS 31 31 4290 1 . LYS 32 32 4290 1 . CYS 33 33 4290 1 . LEU 34 34 4290 1 . ALA 35 35 4290 1 . ARG 36 36 4290 1 . LEU 37 37 4290 1 . GLU 38 38 4290 1 . ASN 39 39 4290 1 . CYS 40 40 4290 1 . PRO 41 41 4290 1 . LYS 42 42 4290 1 . GLY 43 43 4290 1 . LEU 44 44 4290 1 . HIS 45 45 4290 1 . TYR 46 46 4290 1 . ASN 47 47 4290 1 . ALA 48 48 4290 1 . TYR 49 49 4290 1 . LEU 50 50 4290 1 . LYS 51 51 4290 1 . VAL 52 52 4290 1 . CYS 53 53 4290 1 . ASP 54 54 4290 1 . TRP 55 55 4290 1 . PRO 56 56 4290 1 . SER 57 57 4290 1 . LYS 58 58 4290 1 . ALA 59 59 4290 1 . GLY 60 60 4290 1 . CYS 61 61 4290 1 . THR 62 62 4290 1 . SER 63 63 4290 1 . VAL 64 64 4290 1 . ASN 65 65 4290 1 . LYS 66 66 4290 1 . GLU 67 67 4290 1 . CYS 68 68 4290 1 . HIS 69 69 4290 1 . LEU 70 70 4290 1 . TRP 71 71 4290 1 . LYS 72 72 4290 1 . THR 73 73 4290 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 4290 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $tachycitin . 6853 . . 'Tachypleus tridentatus' 'Japanese horseshoe crab' . . Eukaryota Metazoa Tachypleus tridentatus . . . . . . . . . . . . . . . . . . . . . 4290 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 4290 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $tachycitin . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4290 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4290 _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 tachycitin . . . 1 $tachycitin . . . 1.0 2.0 mM . . . . 4290 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4290 _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 4.2 0.2 n/a 4290 1 temperature 303 1 K 4290 1 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4290 _Software.ID 1 _Software.Name Pipp _Software.Version 4.0.4 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 4290 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4290 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer JEOL _NMR_spectrometer.Model Alpha _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4290 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer JEOL _NMR_spectrometer.Model Alpha _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4290 _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_one JEOL Alpha . 600 . . . 4290 1 2 NMR_spectrometer_two JEOL Alpha . 500 . . . 4290 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 4290 _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 1H-1H DQF-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4290 1 2 '2D 1H-1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4290 1 3 '2D 1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4290 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4290 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-1H DQF-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4290 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-1H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4290 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4290 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.0000000 internal cylindrical parallel_to_Bo . . . . . . 4290 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_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4290 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4290 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 TYR HA H 1 4.22 0.03 . 1 . . . . . . . . 4290 1 2 . 1 1 1 1 TYR HB2 H 1 3.10 0.03 . 1 . . . . . . . . 4290 1 3 . 1 1 1 1 TYR HB3 H 1 3.10 0.03 . 1 . . . . . . . . 4290 1 4 . 1 1 1 1 TYR HD1 H 1 7.13 0.03 . 1 . . . . . . . . 4290 1 5 . 1 1 1 1 TYR HD2 H 1 7.13 0.03 . 1 . . . . . . . . 4290 1 6 . 1 1 1 1 TYR HE1 H 1 6.85 0.03 . 1 . . . . . . . . 4290 1 7 . 1 1 1 1 TYR HE2 H 1 6.85 0.03 . 1 . . . . . . . . 4290 1 8 . 1 1 2 2 LEU H H 1 8.35 0.03 . 1 . . . . . . . . 4290 1 9 . 1 1 2 2 LEU HA H 1 4.30 0.03 . 1 . . . . . . . . 4290 1 10 . 1 1 2 2 LEU HB2 H 1 1.44 0.03 . 1 . . . . . . . . 4290 1 11 . 1 1 2 2 LEU HB3 H 1 1.42 0.03 . 1 . . . . . . . . 4290 1 12 . 1 1 2 2 LEU HG H 1 1.48 0.03 . 1 . . . . . . . . 4290 1 13 . 1 1 2 2 LEU HD11 H 1 0.89 0.03 . 1 . . . . . . . . 4290 1 14 . 1 1 2 2 LEU HD12 H 1 0.89 0.03 . 1 . . . . . . . . 4290 1 15 . 1 1 2 2 LEU HD13 H 1 0.89 0.03 . 1 . . . . . . . . 4290 1 16 . 1 1 2 2 LEU HD21 H 1 0.85 0.03 . 1 . . . . . . . . 4290 1 17 . 1 1 2 2 LEU HD22 H 1 0.85 0.03 . 1 . . . . . . . . 4290 1 18 . 1 1 2 2 LEU HD23 H 1 0.85 0.03 . 1 . . . . . . . . 4290 1 19 . 1 1 3 3 ALA H H 1 8.21 0.03 . 1 . . . . . . . . 4290 1 20 . 1 1 3 3 ALA HA H 1 4.21 0.03 . 1 . . . . . . . . 4290 1 21 . 1 1 3 3 ALA HB1 H 1 1.28 0.03 . 1 . . . . . . . . 4290 1 22 . 1 1 3 3 ALA HB2 H 1 1.28 0.03 . 1 . . . . . . . . 4290 1 23 . 1 1 3 3 ALA HB3 H 1 1.28 0.03 . 1 . . . . . . . . 4290 1 24 . 1 1 4 4 PHE H H 1 8.06 0.03 . 1 . . . . . . . . 4290 1 25 . 1 1 4 4 PHE HA H 1 4.58 0.03 . 1 . . . . . . . . 4290 1 26 . 1 1 4 4 PHE HB2 H 1 3.00 0.03 . 1 . . . . . . . . 4290 1 27 . 1 1 4 4 PHE HB3 H 1 2.89 0.03 . 1 . . . . . . . . 4290 1 28 . 1 1 4 4 PHE HD1 H 1 7.19 0.03 . 1 . . . . . . . . 4290 1 29 . 1 1 4 4 PHE HD2 H 1 7.19 0.03 . 1 . . . . . . . . 4290 1 30 . 1 1 4 4 PHE HE1 H 1 7.31 0.03 . 1 . . . . . . . . 4290 1 31 . 1 1 4 4 PHE HE2 H 1 7.31 0.03 . 1 . . . . . . . . 4290 1 32 . 1 1 4 4 PHE HZ H 1 7.26 0.03 . 1 . . . . . . . . 4290 1 33 . 1 1 5 5 ARG H H 1 8.48 0.03 . 1 . . . . . . . . 4290 1 34 . 1 1 5 5 ARG HA H 1 4.23 0.03 . 1 . . . . . . . . 4290 1 35 . 1 1 5 5 ARG HB2 H 1 1.83 0.03 . 1 . . . . . . . . 4290 1 36 . 1 1 5 5 ARG HB3 H 1 1.80 0.03 . 1 . . . . . . . . 4290 1 37 . 1 1 5 5 ARG HG2 H 1 1.64 0.03 . 1 . . . . . . . . 4290 1 38 . 1 1 5 5 ARG HG3 H 1 1.61 0.03 . 1 . . . . . . . . 4290 1 39 . 1 1 5 5 ARG HD2 H 1 3.16 0.03 . 1 . . . . . . . . 4290 1 40 . 1 1 5 5 ARG HD3 H 1 3.16 0.03 . 1 . . . . . . . . 4290 1 41 . 1 1 5 5 ARG HE H 1 7.13 0.03 . 1 . . . . . . . . 4290 1 42 . 1 1 6 6 CYS H H 1 8.70 0.03 . 1 . . . . . . . . 4290 1 43 . 1 1 6 6 CYS HA H 1 4.95 0.03 . 1 . . . . . . . . 4290 1 44 . 1 1 6 6 CYS HB2 H 1 3.34 0.03 . 1 . . . . . . . . 4290 1 45 . 1 1 6 6 CYS HB3 H 1 2.80 0.03 . 1 . . . . . . . . 4290 1 46 . 1 1 7 7 GLY H H 1 7.94 0.03 . 1 . . . . . . . . 4290 1 47 . 1 1 7 7 GLY HA2 H 1 4.34 0.03 . 1 . . . . . . . . 4290 1 48 . 1 1 7 7 GLY HA3 H 1 3.85 0.03 . 1 . . . . . . . . 4290 1 49 . 1 1 8 8 ARG H H 1 8.41 0.03 . 1 . . . . . . . . 4290 1 50 . 1 1 8 8 ARG HA H 1 3.57 0.03 . 1 . . . . . . . . 4290 1 51 . 1 1 8 8 ARG HB2 H 1 1.41 0.03 . 1 . . . . . . . . 4290 1 52 . 1 1 8 8 ARG HB3 H 1 1.20 0.03 . 1 . . . . . . . . 4290 1 53 . 1 1 8 8 ARG HG2 H 1 0.88 0.03 . 1 . . . . . . . . 4290 1 54 . 1 1 8 8 ARG HG3 H 1 0.84 0.03 . 1 . . . . . . . . 4290 1 55 . 1 1 8 8 ARG HD2 H 1 2.80 0.03 . 1 . . . . . . . . 4290 1 56 . 1 1 8 8 ARG HD3 H 1 2.80 0.03 . 1 . . . . . . . . 4290 1 57 . 1 1 8 8 ARG HE H 1 6.90 0.03 . 1 . . . . . . . . 4290 1 58 . 1 1 9 9 TYR H H 1 8.27 0.03 . 1 . . . . . . . . 4290 1 59 . 1 1 9 9 TYR HA H 1 4.60 0.03 . 1 . . . . . . . . 4290 1 60 . 1 1 9 9 TYR HB2 H 1 3.32 0.03 . 1 . . . . . . . . 4290 1 61 . 1 1 9 9 TYR HB3 H 1 2.77 0.03 . 1 . . . . . . . . 4290 1 62 . 1 1 9 9 TYR HD1 H 1 7.11 0.03 . 1 . . . . . . . . 4290 1 63 . 1 1 9 9 TYR HD2 H 1 7.11 0.03 . 1 . . . . . . . . 4290 1 64 . 1 1 9 9 TYR HE1 H 1 6.82 0.03 . 1 . . . . . . . . 4290 1 65 . 1 1 9 9 TYR HE2 H 1 6.82 0.03 . 1 . . . . . . . . 4290 1 66 . 1 1 10 10 SER H H 1 7.06 0.03 . 1 . . . . . . . . 4290 1 67 . 1 1 10 10 SER HA H 1 4.61 0.03 . 1 . . . . . . . . 4290 1 68 . 1 1 10 10 SER HB2 H 1 3.81 0.03 . 1 . . . . . . . . 4290 1 69 . 1 1 10 10 SER HB3 H 1 3.43 0.03 . 1 . . . . . . . . 4290 1 70 . 1 1 11 11 PRO HA H 1 4.55 0.03 . 1 . . . . . . . . 4290 1 71 . 1 1 11 11 PRO HB2 H 1 1.83 0.03 . 1 . . . . . . . . 4290 1 72 . 1 1 11 11 PRO HB3 H 1 1.40 0.03 . 1 . . . . . . . . 4290 1 73 . 1 1 11 11 PRO HG2 H 1 0.92 0.03 . 1 . . . . . . . . 4290 1 74 . 1 1 11 11 PRO HG3 H 1 0.72 0.03 . 1 . . . . . . . . 4290 1 75 . 1 1 11 11 PRO HD2 H 1 3.55 0.03 . 1 . . . . . . . . 4290 1 76 . 1 1 11 11 PRO HD3 H 1 3.48 0.03 . 1 . . . . . . . . 4290 1 77 . 1 1 12 12 CYS H H 1 8.05 0.03 . 1 . . . . . . . . 4290 1 78 . 1 1 12 12 CYS HA H 1 4.64 0.03 . 1 . . . . . . . . 4290 1 79 . 1 1 12 12 CYS HB2 H 1 3.01 0.03 . 1 . . . . . . . . 4290 1 80 . 1 1 12 12 CYS HB3 H 1 2.87 0.03 . 1 . . . . . . . . 4290 1 81 . 1 1 13 13 LEU H H 1 8.08 0.03 . 1 . . . . . . . . 4290 1 82 . 1 1 13 13 LEU HA H 1 4.18 0.03 . 1 . . . . . . . . 4290 1 83 . 1 1 13 13 LEU HB2 H 1 1.81 0.03 . 1 . . . . . . . . 4290 1 84 . 1 1 13 13 LEU HB3 H 1 1.67 0.03 . 1 . . . . . . . . 4290 1 85 . 1 1 13 13 LEU HG H 1 1.70 0.03 . 1 . . . . . . . . 4290 1 86 . 1 1 13 13 LEU HD11 H 1 0.97 0.03 . 1 . . . . . . . . 4290 1 87 . 1 1 13 13 LEU HD12 H 1 0.97 0.03 . 1 . . . . . . . . 4290 1 88 . 1 1 13 13 LEU HD13 H 1 0.97 0.03 . 1 . . . . . . . . 4290 1 89 . 1 1 13 13 LEU HD21 H 1 0.86 0.03 . 1 . . . . . . . . 4290 1 90 . 1 1 13 13 LEU HD22 H 1 0.86 0.03 . 1 . . . . . . . . 4290 1 91 . 1 1 13 13 LEU HD23 H 1 0.86 0.03 . 1 . . . . . . . . 4290 1 92 . 1 1 14 14 ASP H H 1 8.14 0.03 . 1 . . . . . . . . 4290 1 93 . 1 1 14 14 ASP HA H 1 4.67 0.03 . 1 . . . . . . . . 4290 1 94 . 1 1 14 14 ASP HB2 H 1 2.80 0.03 . 1 . . . . . . . . 4290 1 95 . 1 1 14 14 ASP HB3 H 1 2.61 0.03 . 1 . . . . . . . . 4290 1 96 . 1 1 15 15 ASP H H 1 8.58 0.03 . 1 . . . . . . . . 4290 1 97 . 1 1 15 15 ASP HA H 1 4.54 0.03 . 1 . . . . . . . . 4290 1 98 . 1 1 15 15 ASP HB2 H 1 2.61 0.03 . 1 . . . . . . . . 4290 1 99 . 1 1 15 15 ASP HB3 H 1 2.78 0.03 . 1 . . . . . . . . 4290 1 100 . 1 1 16 16 GLY H H 1 9.18 0.03 . 1 . . . . . . . . 4290 1 101 . 1 1 16 16 GLY HA2 H 1 4.60 0.03 . 1 . . . . . . . . 4290 1 102 . 1 1 16 16 GLY HA3 H 1 3.86 0.03 . 1 . . . . . . . . 4290 1 103 . 1 1 17 17 PRO HA H 1 5.20 0.03 . 1 . . . . . . . . 4290 1 104 . 1 1 17 17 PRO HB2 H 1 2.22 0.03 . 1 . . . . . . . . 4290 1 105 . 1 1 17 17 PRO HB3 H 1 1.99 0.03 . 1 . . . . . . . . 4290 1 106 . 1 1 17 17 PRO HG2 H 1 3.78 0.03 . 1 . . . . . . . . 4290 1 107 . 1 1 17 17 PRO HG3 H 1 3.78 0.03 . 1 . . . . . . . . 4290 1 108 . 1 1 17 17 PRO HD2 H 1 3.79 0.03 . 1 . . . . . . . . 4290 1 109 . 1 1 17 17 PRO HD3 H 1 3.79 0.03 . 1 . . . . . . . . 4290 1 110 . 1 1 18 18 ASN H H 1 9.56 0.03 . 1 . . . . . . . . 4290 1 111 . 1 1 18 18 ASN HA H 1 5.11 0.03 . 1 . . . . . . . . 4290 1 112 . 1 1 18 18 ASN HB2 H 1 3.01 0.03 . 1 . . . . . . . . 4290 1 113 . 1 1 18 18 ASN HB3 H 1 2.69 0.03 . 1 . . . . . . . . 4290 1 114 . 1 1 18 18 ASN HD21 H 1 7.71 0.03 . 1 . . . . . . . . 4290 1 115 . 1 1 18 18 ASN HD22 H 1 6.96 0.03 . 1 . . . . . . . . 4290 1 116 . 1 1 19 19 VAL H H 1 8.56 0.03 . 1 . . . . . . . . 4290 1 117 . 1 1 19 19 VAL HA H 1 3.92 0.03 . 1 . . . . . . . . 4290 1 118 . 1 1 19 19 VAL HB H 1 2.23 0.03 . 1 . . . . . . . . 4290 1 119 . 1 1 19 19 VAL HG11 H 1 1.24 0.03 . 1 . . . . . . . . 4290 1 120 . 1 1 19 19 VAL HG12 H 1 1.24 0.03 . 1 . . . . . . . . 4290 1 121 . 1 1 19 19 VAL HG13 H 1 1.24 0.03 . 1 . . . . . . . . 4290 1 122 . 1 1 19 19 VAL HG21 H 1 1.07 0.03 . 1 . . . . . . . . 4290 1 123 . 1 1 19 19 VAL HG22 H 1 1.07 0.03 . 1 . . . . . . . . 4290 1 124 . 1 1 19 19 VAL HG23 H 1 1.07 0.03 . 1 . . . . . . . . 4290 1 125 . 1 1 20 20 ASN H H 1 8.78 0.03 . 1 . . . . . . . . 4290 1 126 . 1 1 20 20 ASN HA H 1 5.29 0.03 . 1 . . . . . . . . 4290 1 127 . 1 1 20 20 ASN HB2 H 1 3.41 0.03 . 1 . . . . . . . . 4290 1 128 . 1 1 20 20 ASN HB3 H 1 1.94 0.03 . 1 . . . . . . . . 4290 1 129 . 1 1 21 21 LEU H H 1 9.41 0.03 . 1 . . . . . . . . 4290 1 130 . 1 1 21 21 LEU HA H 1 3.94 0.03 . 1 . . . . . . . . 4290 1 131 . 1 1 21 21 LEU HB2 H 1 1.30 0.03 . 1 . . . . . . . . 4290 1 132 . 1 1 21 21 LEU HB3 H 1 1.12 0.03 . 1 . . . . . . . . 4290 1 133 . 1 1 21 21 LEU HG H 1 1.60 0.03 . 1 . . . . . . . . 4290 1 134 . 1 1 21 21 LEU HD11 H 1 0.83 0.03 . 1 . . . . . . . . 4290 1 135 . 1 1 21 21 LEU HD12 H 1 0.83 0.03 . 1 . . . . . . . . 4290 1 136 . 1 1 21 21 LEU HD13 H 1 0.83 0.03 . 1 . . . . . . . . 4290 1 137 . 1 1 21 21 LEU HD21 H 1 0.80 0.03 . 1 . . . . . . . . 4290 1 138 . 1 1 21 21 LEU HD22 H 1 0.80 0.03 . 1 . . . . . . . . 4290 1 139 . 1 1 21 21 LEU HD23 H 1 0.80 0.03 . 1 . . . . . . . . 4290 1 140 . 1 1 22 22 TYR H H 1 7.86 0.03 . 1 . . . . . . . . 4290 1 141 . 1 1 22 22 TYR HA H 1 4.42 0.03 . 1 . . . . . . . . 4290 1 142 . 1 1 22 22 TYR HB2 H 1 3.18 0.03 . 1 . . . . . . . . 4290 1 143 . 1 1 22 22 TYR HB3 H 1 2.63 0.03 . 1 . . . . . . . . 4290 1 144 . 1 1 22 22 TYR HD1 H 1 7.15 0.03 . 1 . . . . . . . . 4290 1 145 . 1 1 22 22 TYR HD2 H 1 7.15 0.03 . 1 . . . . . . . . 4290 1 146 . 1 1 22 22 TYR HE1 H 1 6.89 0.03 . 1 . . . . . . . . 4290 1 147 . 1 1 22 22 TYR HE2 H 1 6.89 0.03 . 1 . . . . . . . . 4290 1 148 . 1 1 23 23 SER H H 1 7.15 0.03 . 1 . . . . . . . . 4290 1 149 . 1 1 23 23 SER HA H 1 4.64 0.03 . 1 . . . . . . . . 4290 1 150 . 1 1 23 23 SER HB2 H 1 3.84 0.03 . 1 . . . . . . . . 4290 1 151 . 1 1 23 23 SER HB3 H 1 3.42 0.03 . 1 . . . . . . . . 4290 1 152 . 1 1 24 24 CYS H H 1 8.04 0.03 . 1 . . . . . . . . 4290 1 153 . 1 1 24 24 CYS HA H 1 5.04 0.03 . 1 . . . . . . . . 4290 1 154 . 1 1 24 24 CYS HB2 H 1 2.43 0.03 . 1 . . . . . . . . 4290 1 155 . 1 1 24 24 CYS HB3 H 1 2.29 0.03 . 1 . . . . . . . . 4290 1 156 . 1 1 25 25 CYS H H 1 8.53 0.03 . 1 . . . . . . . . 4290 1 157 . 1 1 25 25 CYS HA H 1 4.83 0.03 . 1 . . . . . . . . 4290 1 158 . 1 1 25 25 CYS HB2 H 1 3.80 0.03 . 1 . . . . . . . . 4290 1 159 . 1 1 25 25 CYS HB3 H 1 2.94 0.03 . 1 . . . . . . . . 4290 1 160 . 1 1 26 26 SER H H 1 7.53 0.03 . 1 . . . . . . . . 4290 1 161 . 1 1 26 26 SER HA H 1 5.14 0.03 . 1 . . . . . . . . 4290 1 162 . 1 1 26 26 SER HB2 H 1 3.84 0.03 . 1 . . . . . . . . 4290 1 163 . 1 1 26 26 SER HB3 H 1 3.60 0.03 . 1 . . . . . . . . 4290 1 164 . 1 1 27 27 PHE H H 1 8.58 0.03 . 1 . . . . . . . . 4290 1 165 . 1 1 27 27 PHE HA H 1 4.42 0.03 . 1 . . . . . . . . 4290 1 166 . 1 1 27 27 PHE HB2 H 1 2.24 0.03 . 1 . . . . . . . . 4290 1 167 . 1 1 27 27 PHE HB3 H 1 1.75 0.03 . 1 . . . . . . . . 4290 1 168 . 1 1 27 27 PHE HD1 H 1 6.56 0.03 . 1 . . . . . . . . 4290 1 169 . 1 1 27 27 PHE HD2 H 1 6.56 0.03 . 1 . . . . . . . . 4290 1 170 . 1 1 27 27 PHE HE1 H 1 6.96 0.03 . 1 . . . . . . . . 4290 1 171 . 1 1 27 27 PHE HE2 H 1 6.96 0.03 . 1 . . . . . . . . 4290 1 172 . 1 1 27 27 PHE HZ H 1 7.13 0.03 . 1 . . . . . . . . 4290 1 173 . 1 1 28 28 TYR H H 1 8.82 0.03 . 1 . . . . . . . . 4290 1 174 . 1 1 28 28 TYR HA H 1 4.90 0.03 . 1 . . . . . . . . 4290 1 175 . 1 1 28 28 TYR HB2 H 1 2.60 0.03 . 1 . . . . . . . . 4290 1 176 . 1 1 28 28 TYR HB3 H 1 2.35 0.03 . 1 . . . . . . . . 4290 1 177 . 1 1 28 28 TYR HD1 H 1 6.73 0.03 . 1 . . . . . . . . 4290 1 178 . 1 1 28 28 TYR HD2 H 1 6.73 0.03 . 1 . . . . . . . . 4290 1 179 . 1 1 28 28 TYR HE1 H 1 6.80 0.03 . 1 . . . . . . . . 4290 1 180 . 1 1 28 28 TYR HE2 H 1 6.80 0.03 . 1 . . . . . . . . 4290 1 181 . 1 1 29 29 ASN H H 1 9.48 0.03 . 1 . . . . . . . . 4290 1 182 . 1 1 29 29 ASN HA H 1 5.10 0.03 . 1 . . . . . . . . 4290 1 183 . 1 1 29 29 ASN HB2 H 1 3.00 0.03 . 1 . . . . . . . . 4290 1 184 . 1 1 29 29 ASN HB3 H 1 2.51 0.03 . 1 . . . . . . . . 4290 1 185 . 1 1 29 29 ASN HD21 H 1 7.52 0.03 . 1 . . . . . . . . 4290 1 186 . 1 1 29 29 ASN HD22 H 1 6.86 0.03 . 1 . . . . . . . . 4290 1 187 . 1 1 30 30 CYS H H 1 8.65 0.03 . 1 . . . . . . . . 4290 1 188 . 1 1 30 30 CYS HA H 1 5.81 0.03 . 1 . . . . . . . . 4290 1 189 . 1 1 30 30 CYS HB2 H 1 3.92 0.03 . 1 . . . . . . . . 4290 1 190 . 1 1 30 30 CYS HB3 H 1 2.96 0.03 . 1 . . . . . . . . 4290 1 191 . 1 1 31 31 HIS H H 1 8.66 0.03 . 1 . . . . . . . . 4290 1 192 . 1 1 31 31 HIS HA H 1 4.87 0.03 . 1 . . . . . . . . 4290 1 193 . 1 1 31 31 HIS HB2 H 1 3.25 0.03 . 1 . . . . . . . . 4290 1 194 . 1 1 31 31 HIS HB3 H 1 3.12 0.03 . 1 . . . . . . . . 4290 1 195 . 1 1 31 31 HIS HD2 H 1 7.35 0.03 . 1 . . . . . . . . 4290 1 196 . 1 1 32 32 LYS H H 1 9.96 0.03 . 1 . . . . . . . . 4290 1 197 . 1 1 32 32 LYS HA H 1 3.66 0.03 . 1 . . . . . . . . 4290 1 198 . 1 1 32 32 LYS HB2 H 1 1.80 0.03 . 1 . . . . . . . . 4290 1 199 . 1 1 32 32 LYS HB3 H 1 1.58 0.03 . 1 . . . . . . . . 4290 1 200 . 1 1 32 32 LYS HG2 H 1 1.11 0.03 . 1 . . . . . . . . 4290 1 201 . 1 1 32 32 LYS HG3 H 1 1.05 0.03 . 1 . . . . . . . . 4290 1 202 . 1 1 32 32 LYS HD3 H 1 1.54 0.03 . 1 . . . . . . . . 4290 1 203 . 1 1 32 32 LYS HE2 H 1 2.90 0.03 . 1 . . . . . . . . 4290 1 204 . 1 1 32 32 LYS HE3 H 1 2.90 0.03 . 1 . . . . . . . . 4290 1 205 . 1 1 33 33 CYS HA H 1 4.65 0.03 . 1 . . . . . . . . 4290 1 206 . 1 1 34 34 LEU H H 1 8.14 0.03 . 1 . . . . . . . . 4290 1 207 . 1 1 34 34 LEU HA H 1 4.57 0.03 . 1 . . . . . . . . 4290 1 208 . 1 1 34 34 LEU HB2 H 1 1.85 0.03 . 1 . . . . . . . . 4290 1 209 . 1 1 34 34 LEU HB3 H 1 1.81 0.03 . 1 . . . . . . . . 4290 1 210 . 1 1 34 34 LEU HG H 1 1.61 0.03 . 1 . . . . . . . . 4290 1 211 . 1 1 34 34 LEU HD11 H 1 0.99 0.03 . 1 . . . . . . . . 4290 1 212 . 1 1 34 34 LEU HD12 H 1 0.99 0.03 . 1 . . . . . . . . 4290 1 213 . 1 1 34 34 LEU HD13 H 1 0.99 0.03 . 1 . . . . . . . . 4290 1 214 . 1 1 34 34 LEU HD21 H 1 0.93 0.03 . 1 . . . . . . . . 4290 1 215 . 1 1 34 34 LEU HD22 H 1 0.93 0.03 . 1 . . . . . . . . 4290 1 216 . 1 1 34 34 LEU HD23 H 1 0.93 0.03 . 1 . . . . . . . . 4290 1 217 . 1 1 35 35 ALA H H 1 8.84 0.03 . 1 . . . . . . . . 4290 1 218 . 1 1 35 35 ALA HA H 1 4.88 0.03 . 1 . . . . . . . . 4290 1 219 . 1 1 35 35 ALA HB1 H 1 1.23 0.03 . 1 . . . . . . . . 4290 1 220 . 1 1 35 35 ALA HB2 H 1 1.23 0.03 . 1 . . . . . . . . 4290 1 221 . 1 1 35 35 ALA HB3 H 1 1.23 0.03 . 1 . . . . . . . . 4290 1 222 . 1 1 36 36 ARG H H 1 8.24 0.03 . 1 . . . . . . . . 4290 1 223 . 1 1 36 36 ARG HA H 1 4.70 0.03 . 1 . . . . . . . . 4290 1 224 . 1 1 36 36 ARG HB2 H 1 1.91 0.03 . 1 . . . . . . . . 4290 1 225 . 1 1 36 36 ARG HB3 H 1 1.84 0.03 . 1 . . . . . . . . 4290 1 226 . 1 1 36 36 ARG HG2 H 1 1.65 0.03 . 1 . . . . . . . . 4290 1 227 . 1 1 36 36 ARG HG3 H 1 1.59 0.03 . 1 . . . . . . . . 4290 1 228 . 1 1 36 36 ARG HD2 H 1 3.23 0.03 . 1 . . . . . . . . 4290 1 229 . 1 1 36 36 ARG HD3 H 1 3.23 0.03 . 1 . . . . . . . . 4290 1 230 . 1 1 36 36 ARG HE H 1 7.22 0.03 . 1 . . . . . . . . 4290 1 231 . 1 1 37 37 LEU H H 1 8.84 0.03 . 1 . . . . . . . . 4290 1 232 . 1 1 37 37 LEU HA H 1 4.02 0.03 . 1 . . . . . . . . 4290 1 233 . 1 1 37 37 LEU HB2 H 1 1.55 0.03 . 1 . . . . . . . . 4290 1 234 . 1 1 37 37 LEU HB3 H 1 1.26 0.03 . 1 . . . . . . . . 4290 1 235 . 1 1 37 37 LEU HG H 1 1.09 0.03 . 1 . . . . . . . . 4290 1 236 . 1 1 37 37 LEU HD11 H 1 0.57 0.03 . 1 . . . . . . . . 4290 1 237 . 1 1 37 37 LEU HD12 H 1 0.57 0.03 . 1 . . . . . . . . 4290 1 238 . 1 1 37 37 LEU HD13 H 1 0.57 0.03 . 1 . . . . . . . . 4290 1 239 . 1 1 37 37 LEU HD21 H 1 0.21 0.03 . 1 . . . . . . . . 4290 1 240 . 1 1 37 37 LEU HD22 H 1 0.21 0.03 . 1 . . . . . . . . 4290 1 241 . 1 1 37 37 LEU HD23 H 1 0.21 0.03 . 1 . . . . . . . . 4290 1 242 . 1 1 38 38 GLU H H 1 8.76 0.03 . 1 . . . . . . . . 4290 1 243 . 1 1 38 38 GLU HA H 1 4.33 0.03 . 1 . . . . . . . . 4290 1 244 . 1 1 38 38 GLU HB2 H 1 1.09 0.03 . 1 . . . . . . . . 4290 1 245 . 1 1 38 38 GLU HB3 H 1 0.44 0.03 . 1 . . . . . . . . 4290 1 246 . 1 1 38 38 GLU HG2 H 1 1.98 0.03 . 1 . . . . . . . . 4290 1 247 . 1 1 38 38 GLU HG3 H 1 1.98 0.03 . 1 . . . . . . . . 4290 1 248 . 1 1 39 39 ASN H H 1 8.48 0.03 . 1 . . . . . . . . 4290 1 249 . 1 1 39 39 ASN HA H 1 4.73 0.03 . 1 . . . . . . . . 4290 1 250 . 1 1 39 39 ASN HB2 H 1 2.74 0.03 . 1 . . . . . . . . 4290 1 251 . 1 1 39 39 ASN HB3 H 1 2.52 0.03 . 1 . . . . . . . . 4290 1 252 . 1 1 39 39 ASN HD21 H 1 7.45 0.03 . 1 . . . . . . . . 4290 1 253 . 1 1 39 39 ASN HD22 H 1 6.75 0.03 . 1 . . . . . . . . 4290 1 254 . 1 1 40 40 CYS H H 1 8.81 0.03 . 1 . . . . . . . . 4290 1 255 . 1 1 40 40 CYS HA H 1 5.23 0.03 . 1 . . . . . . . . 4290 1 256 . 1 1 40 40 CYS HB2 H 1 2.88 0.03 . 1 . . . . . . . . 4290 1 257 . 1 1 40 40 CYS HB3 H 1 2.84 0.03 . 1 . . . . . . . . 4290 1 258 . 1 1 41 41 PRO HA H 1 4.43 0.03 . 1 . . . . . . . . 4290 1 259 . 1 1 41 41 PRO HB2 H 1 2.43 0.03 . 1 . . . . . . . . 4290 1 260 . 1 1 41 41 PRO HB3 H 1 1.61 0.03 . 1 . . . . . . . . 4290 1 261 . 1 1 41 41 PRO HG2 H 1 2.10 0.03 . 2 . . . . . . . . 4290 1 262 . 1 1 41 41 PRO HG3 H 1 2.06 0.03 . 2 . . . . . . . . 4290 1 263 . 1 1 41 41 PRO HD2 H 1 4.15 0.03 . 1 . . . . . . . . 4290 1 264 . 1 1 41 41 PRO HD3 H 1 3.28 0.03 . 1 . . . . . . . . 4290 1 265 . 1 1 42 42 LYS H H 1 8.32 0.03 . 1 . . . . . . . . 4290 1 266 . 1 1 42 42 LYS HA H 1 3.86 0.03 . 1 . . . . . . . . 4290 1 267 . 1 1 42 42 LYS HB2 H 1 1.75 0.03 . 1 . . . . . . . . 4290 1 268 . 1 1 42 42 LYS HB3 H 1 1.72 0.03 . 1 . . . . . . . . 4290 1 269 . 1 1 42 42 LYS HG2 H 1 1.43 0.03 . 1 . . . . . . . . 4290 1 270 . 1 1 42 42 LYS HG3 H 1 1.35 0.03 . 1 . . . . . . . . 4290 1 271 . 1 1 42 42 LYS HD2 H 1 1.67 0.03 . 1 . . . . . . . . 4290 1 272 . 1 1 42 42 LYS HD3 H 1 1.67 0.03 . 1 . . . . . . . . 4290 1 273 . 1 1 42 42 LYS HE2 H 1 2.96 0.03 . 1 . . . . . . . . 4290 1 274 . 1 1 42 42 LYS HE3 H 1 2.96 0.03 . 1 . . . . . . . . 4290 1 275 . 1 1 43 43 GLY H H 1 8.43 0.03 . 1 . . . . . . . . 4290 1 276 . 1 1 43 43 GLY HA2 H 1 4.27 0.03 . 1 . . . . . . . . 4290 1 277 . 1 1 43 43 GLY HA3 H 1 3.59 0.03 . 1 . . . . . . . . 4290 1 278 . 1 1 44 44 LEU H H 1 7.88 0.03 . 1 . . . . . . . . 4290 1 279 . 1 1 44 44 LEU HA H 1 4.59 0.03 . 1 . . . . . . . . 4290 1 280 . 1 1 44 44 LEU HB2 H 1 1.61 0.03 . 1 . . . . . . . . 4290 1 281 . 1 1 44 44 LEU HB3 H 1 1.36 0.03 . 1 . . . . . . . . 4290 1 282 . 1 1 44 44 LEU HG H 1 1.19 0.03 . 1 . . . . . . . . 4290 1 283 . 1 1 44 44 LEU HD11 H 1 0.41 0.03 . 1 . . . . . . . . 4290 1 284 . 1 1 44 44 LEU HD12 H 1 0.41 0.03 . 1 . . . . . . . . 4290 1 285 . 1 1 44 44 LEU HD13 H 1 0.41 0.03 . 1 . . . . . . . . 4290 1 286 . 1 1 44 44 LEU HD21 H 1 -0.01 0.03 . 1 . . . . . . . . 4290 1 287 . 1 1 44 44 LEU HD22 H 1 -0.01 0.03 . 1 . . . . . . . . 4290 1 288 . 1 1 44 44 LEU HD23 H 1 -0.01 0.03 . 1 . . . . . . . . 4290 1 289 . 1 1 45 45 HIS H H 1 9.19 0.03 . 1 . . . . . . . . 4290 1 290 . 1 1 45 45 HIS HA H 1 5.53 0.03 . 1 . . . . . . . . 4290 1 291 . 1 1 45 45 HIS HB2 H 1 3.13 0.03 . 1 . . . . . . . . 4290 1 292 . 1 1 45 45 HIS HB3 H 1 2.79 0.03 . 1 . . . . . . . . 4290 1 293 . 1 1 45 45 HIS HD1 H 1 8.62 0.03 . 1 . . . . . . . . 4290 1 294 . 1 1 45 45 HIS HD2 H 1 7.13 0.03 . 1 . . . . . . . . 4290 1 295 . 1 1 45 45 HIS HE1 H 1 8.30 0.03 . 1 . . . . . . . . 4290 1 296 . 1 1 46 46 TYR H H 1 8.93 0.03 . 1 . . . . . . . . 4290 1 297 . 1 1 46 46 TYR HA H 1 4.21 0.03 . 1 . . . . . . . . 4290 1 298 . 1 1 46 46 TYR HB2 H 1 2.86 0.03 . 1 . . . . . . . . 4290 1 299 . 1 1 46 46 TYR HB3 H 1 2.70 0.03 . 1 . . . . . . . . 4290 1 300 . 1 1 46 46 TYR HD1 H 1 7.16 0.03 . 1 . . . . . . . . 4290 1 301 . 1 1 46 46 TYR HD2 H 1 7.16 0.03 . 1 . . . . . . . . 4290 1 302 . 1 1 46 46 TYR HE1 H 1 6.86 0.03 . 1 . . . . . . . . 4290 1 303 . 1 1 46 46 TYR HE2 H 1 6.86 0.03 . 1 . . . . . . . . 4290 1 304 . 1 1 47 47 ASN H H 1 8.24 0.03 . 1 . . . . . . . . 4290 1 305 . 1 1 47 47 ASN HA H 1 4.82 0.03 . 1 . . . . . . . . 4290 1 306 . 1 1 47 47 ASN HB2 H 1 3.19 0.03 . 1 . . . . . . . . 4290 1 307 . 1 1 47 47 ASN HB3 H 1 2.74 0.03 . 1 . . . . . . . . 4290 1 308 . 1 1 47 47 ASN HD21 H 1 8.25 0.03 . 1 . . . . . . . . 4290 1 309 . 1 1 47 47 ASN HD22 H 1 7.18 0.03 . 1 . . . . . . . . 4290 1 310 . 1 1 48 48 ALA H H 1 8.74 0.03 . 1 . . . . . . . . 4290 1 311 . 1 1 48 48 ALA HA H 1 3.75 0.03 . 1 . . . . . . . . 4290 1 312 . 1 1 48 48 ALA HB1 H 1 1.37 0.03 . 1 . . . . . . . . 4290 1 313 . 1 1 48 48 ALA HB2 H 1 1.37 0.03 . 1 . . . . . . . . 4290 1 314 . 1 1 48 48 ALA HB3 H 1 1.37 0.03 . 1 . . . . . . . . 4290 1 315 . 1 1 49 49 TYR H H 1 8.08 0.03 . 1 . . . . . . . . 4290 1 316 . 1 1 49 49 TYR HA H 1 4.35 0.03 . 1 . . . . . . . . 4290 1 317 . 1 1 49 49 TYR HB2 H 1 3.16 0.03 . 1 . . . . . . . . 4290 1 318 . 1 1 49 49 TYR HB3 H 1 3.07 0.03 . 1 . . . . . . . . 4290 1 319 . 1 1 49 49 TYR HD1 H 1 7.17 0.03 . 1 . . . . . . . . 4290 1 320 . 1 1 49 49 TYR HD2 H 1 7.17 0.03 . 1 . . . . . . . . 4290 1 321 . 1 1 49 49 TYR HE1 H 1 6.86 0.03 . 1 . . . . . . . . 4290 1 322 . 1 1 49 49 TYR HE2 H 1 6.86 0.03 . 1 . . . . . . . . 4290 1 323 . 1 1 50 50 LEU H H 1 7.06 0.03 . 1 . . . . . . . . 4290 1 324 . 1 1 50 50 LEU HA H 1 4.08 0.03 . 1 . . . . . . . . 4290 1 325 . 1 1 50 50 LEU HB2 H 1 1.51 0.03 . 1 . . . . . . . . 4290 1 326 . 1 1 50 50 LEU HB3 H 1 1.19 0.03 . 1 . . . . . . . . 4290 1 327 . 1 1 50 50 LEU HG H 1 1.63 0.03 . 1 . . . . . . . . 4290 1 328 . 1 1 50 50 LEU HD11 H 1 0.85 0.03 . 1 . . . . . . . . 4290 1 329 . 1 1 50 50 LEU HD12 H 1 0.85 0.03 . 1 . . . . . . . . 4290 1 330 . 1 1 50 50 LEU HD13 H 1 0.85 0.03 . 1 . . . . . . . . 4290 1 331 . 1 1 50 50 LEU HD21 H 1 0.77 0.03 . 1 . . . . . . . . 4290 1 332 . 1 1 50 50 LEU HD22 H 1 0.77 0.03 . 1 . . . . . . . . 4290 1 333 . 1 1 50 50 LEU HD23 H 1 0.77 0.03 . 1 . . . . . . . . 4290 1 334 . 1 1 51 51 LYS H H 1 8.01 0.03 . 1 . . . . . . . . 4290 1 335 . 1 1 51 51 LYS HA H 1 3.74 0.03 . 1 . . . . . . . . 4290 1 336 . 1 1 51 51 LYS HB2 H 1 2.14 0.03 . 1 . . . . . . . . 4290 1 337 . 1 1 51 51 LYS HB3 H 1 1.75 0.03 . 1 . . . . . . . . 4290 1 338 . 1 1 51 51 LYS HG2 H 1 1.26 0.03 . 1 . . . . . . . . 4290 1 339 . 1 1 51 51 LYS HG3 H 1 1.06 0.03 . 1 . . . . . . . . 4290 1 340 . 1 1 51 51 LYS HD2 H 1 1.69 0.03 . 1 . . . . . . . . 4290 1 341 . 1 1 51 51 LYS HD3 H 1 1.63 0.03 . 1 . . . . . . . . 4290 1 342 . 1 1 51 51 LYS HE2 H 1 3.03 0.03 . 1 . . . . . . . . 4290 1 343 . 1 1 51 51 LYS HE3 H 1 3.03 0.03 . 1 . . . . . . . . 4290 1 344 . 1 1 51 51 LYS HZ1 H 1 7.51 0.03 . 1 . . . . . . . . 4290 1 345 . 1 1 51 51 LYS HZ2 H 1 7.51 0.03 . 1 . . . . . . . . 4290 1 346 . 1 1 51 51 LYS HZ3 H 1 7.51 0.03 . 1 . . . . . . . . 4290 1 347 . 1 1 52 52 VAL H H 1 6.86 0.03 . 1 . . . . . . . . 4290 1 348 . 1 1 52 52 VAL HA H 1 4.47 0.03 . 1 . . . . . . . . 4290 1 349 . 1 1 52 52 VAL HB H 1 2.06 0.03 . 1 . . . . . . . . 4290 1 350 . 1 1 52 52 VAL HG11 H 1 0.80 0.03 . 1 . . . . . . . . 4290 1 351 . 1 1 52 52 VAL HG12 H 1 0.80 0.03 . 1 . . . . . . . . 4290 1 352 . 1 1 52 52 VAL HG13 H 1 0.80 0.03 . 1 . . . . . . . . 4290 1 353 . 1 1 52 52 VAL HG21 H 1 0.63 0.03 . 1 . . . . . . . . 4290 1 354 . 1 1 52 52 VAL HG22 H 1 0.63 0.03 . 1 . . . . . . . . 4290 1 355 . 1 1 52 52 VAL HG23 H 1 0.63 0.03 . 1 . . . . . . . . 4290 1 356 . 1 1 53 53 CYS H H 1 8.61 0.03 . 1 . . . . . . . . 4290 1 357 . 1 1 53 53 CYS HA H 1 5.22 0.03 . 1 . . . . . . . . 4290 1 358 . 1 1 53 53 CYS HB2 H 1 3.16 0.03 . 1 . . . . . . . . 4290 1 359 . 1 1 53 53 CYS HB3 H 1 2.61 0.03 . 1 . . . . . . . . 4290 1 360 . 1 1 54 54 ASP H H 1 10.00 0.03 . 1 . . . . . . . . 4290 1 361 . 1 1 54 54 ASP HA H 1 4.72 0.03 . 1 . . . . . . . . 4290 1 362 . 1 1 54 54 ASP HB2 H 1 2.63 0.03 . 1 . . . . . . . . 4290 1 363 . 1 1 54 54 ASP HB3 H 1 2.59 0.03 . 1 . . . . . . . . 4290 1 364 . 1 1 55 55 TRP H H 1 8.95 0.03 . 1 . . . . . . . . 4290 1 365 . 1 1 55 55 TRP HA H 1 4.67 0.03 . 1 . . . . . . . . 4290 1 366 . 1 1 55 55 TRP HB2 H 1 3.55 0.03 . 1 . . . . . . . . 4290 1 367 . 1 1 55 55 TRP HB3 H 1 2.83 0.03 . 1 . . . . . . . . 4290 1 368 . 1 1 55 55 TRP HD1 H 1 7.34 0.03 . 1 . . . . . . . . 4290 1 369 . 1 1 55 55 TRP HE1 H 1 10.18 0.03 . 1 . . . . . . . . 4290 1 370 . 1 1 55 55 TRP HE3 H 1 7.60 0.03 . 1 . . . . . . . . 4290 1 371 . 1 1 55 55 TRP HZ2 H 1 7.51 0.03 . 1 . . . . . . . . 4290 1 372 . 1 1 55 55 TRP HZ3 H 1 7.14 0.03 . 1 . . . . . . . . 4290 1 373 . 1 1 55 55 TRP HH2 H 1 7.25 0.03 . 1 . . . . . . . . 4290 1 374 . 1 1 56 56 PRO HA H 1 3.95 0.03 . 1 . . . . . . . . 4290 1 375 . 1 1 56 56 PRO HB2 H 1 1.85 0.03 . 1 . . . . . . . . 4290 1 376 . 1 1 56 56 PRO HB3 H 1 1.63 0.03 . 1 . . . . . . . . 4290 1 377 . 1 1 56 56 PRO HG2 H 1 1.90 0.03 . 1 . . . . . . . . 4290 1 378 . 1 1 56 56 PRO HG3 H 1 0.95 0.03 . 1 . . . . . . . . 4290 1 379 . 1 1 56 56 PRO HD2 H 1 4.28 0.03 . 1 . . . . . . . . 4290 1 380 . 1 1 56 56 PRO HD3 H 1 3.90 0.03 . 1 . . . . . . . . 4290 1 381 . 1 1 57 57 SER H H 1 8.39 0.03 . 1 . . . . . . . . 4290 1 382 . 1 1 57 57 SER HA H 1 4.29 0.03 . 1 . . . . . . . . 4290 1 383 . 1 1 57 57 SER HB2 H 1 3.99 0.03 . 1 . . . . . . . . 4290 1 384 . 1 1 57 57 SER HB3 H 1 3.94 0.03 . 1 . . . . . . . . 4290 1 385 . 1 1 58 58 LYS H H 1 7.82 0.03 . 1 . . . . . . . . 4290 1 386 . 1 1 58 58 LYS HA H 1 4.51 0.03 . 1 . . . . . . . . 4290 1 387 . 1 1 58 58 LYS HB2 H 1 1.97 0.03 . 1 . . . . . . . . 4290 1 388 . 1 1 58 58 LYS HB3 H 1 1.85 0.03 . 1 . . . . . . . . 4290 1 389 . 1 1 58 58 LYS HG2 H 1 1.60 0.03 . 1 . . . . . . . . 4290 1 390 . 1 1 58 58 LYS HG3 H 1 1.44 0.03 . 1 . . . . . . . . 4290 1 391 . 1 1 58 58 LYS HD2 H 1 1.74 0.03 . 1 . . . . . . . . 4290 1 392 . 1 1 58 58 LYS HD3 H 1 1.74 0.03 . 1 . . . . . . . . 4290 1 393 . 1 1 58 58 LYS HE2 H 1 3.00 0.03 . 1 . . . . . . . . 4290 1 394 . 1 1 58 58 LYS HE3 H 1 3.00 0.03 . 1 . . . . . . . . 4290 1 395 . 1 1 59 59 ALA H H 1 7.91 0.03 . 1 . . . . . . . . 4290 1 396 . 1 1 59 59 ALA HA H 1 4.21 0.03 . 1 . . . . . . . . 4290 1 397 . 1 1 59 59 ALA HB1 H 1 1.48 0.03 . 1 . . . . . . . . 4290 1 398 . 1 1 59 59 ALA HB2 H 1 1.48 0.03 . 1 . . . . . . . . 4290 1 399 . 1 1 59 59 ALA HB3 H 1 1.48 0.03 . 1 . . . . . . . . 4290 1 400 . 1 1 60 60 GLY H H 1 8.27 0.03 . 1 . . . . . . . . 4290 1 401 . 1 1 60 60 GLY HA2 H 1 3.91 0.03 . 1 . . . . . . . . 4290 1 402 . 1 1 60 60 GLY HA3 H 1 3.88 0.03 . 1 . . . . . . . . 4290 1 403 . 1 1 61 61 CYS H H 1 8.42 0.03 . 1 . . . . . . . . 4290 1 404 . 1 1 61 61 CYS HA H 1 4.70 0.03 . 1 . . . . . . . . 4290 1 405 . 1 1 61 61 CYS HB2 H 1 3.67 0.03 . 1 . . . . . . . . 4290 1 406 . 1 1 61 61 CYS HB3 H 1 3.13 0.03 . 1 . . . . . . . . 4290 1 407 . 1 1 62 62 THR H H 1 8.99 0.03 . 1 . . . . . . . . 4290 1 408 . 1 1 62 62 THR HA H 1 4.54 0.03 . 1 . . . . . . . . 4290 1 409 . 1 1 62 62 THR HB H 1 4.54 0.03 . 1 . . . . . . . . 4290 1 410 . 1 1 62 62 THR HG21 H 1 1.28 0.03 . 1 . . . . . . . . 4290 1 411 . 1 1 62 62 THR HG22 H 1 1.28 0.03 . 1 . . . . . . . . 4290 1 412 . 1 1 62 62 THR HG23 H 1 1.28 0.03 . 1 . . . . . . . . 4290 1 413 . 1 1 63 63 SER H H 1 7.67 0.03 . 1 . . . . . . . . 4290 1 414 . 1 1 63 63 SER HA H 1 4.43 0.03 . 1 . . . . . . . . 4290 1 415 . 1 1 63 63 SER HB2 H 1 3.80 0.03 . 1 . . . . . . . . 4290 1 416 . 1 1 63 63 SER HB3 H 1 3.66 0.03 . 1 . . . . . . . . 4290 1 417 . 1 1 64 64 VAL H H 1 8.13 0.03 . 1 . . . . . . . . 4290 1 418 . 1 1 64 64 VAL HA H 1 3.96 0.03 . 1 . . . . . . . . 4290 1 419 . 1 1 64 64 VAL HB H 1 2.19 0.03 . 1 . . . . . . . . 4290 1 420 . 1 1 64 64 VAL HG11 H 1 1.04 0.03 . 1 . . . . . . . . 4290 1 421 . 1 1 64 64 VAL HG12 H 1 1.04 0.03 . 1 . . . . . . . . 4290 1 422 . 1 1 64 64 VAL HG13 H 1 1.04 0.03 . 1 . . . . . . . . 4290 1 423 . 1 1 64 64 VAL HG21 H 1 1.04 0.03 . 1 . . . . . . . . 4290 1 424 . 1 1 64 64 VAL HG22 H 1 1.04 0.03 . 1 . . . . . . . . 4290 1 425 . 1 1 64 64 VAL HG23 H 1 1.04 0.03 . 1 . . . . . . . . 4290 1 426 . 1 1 65 65 ASN H H 1 8.00 0.03 . 1 . . . . . . . . 4290 1 427 . 1 1 65 65 ASN HA H 1 4.91 0.03 . 1 . . . . . . . . 4290 1 428 . 1 1 65 65 ASN HB2 H 1 2.95 0.03 . 1 . . . . . . . . 4290 1 429 . 1 1 65 65 ASN HB3 H 1 2.76 0.03 . 1 . . . . . . . . 4290 1 430 . 1 1 65 65 ASN HD21 H 1 7.76 0.03 . 1 . . . . . . . . 4290 1 431 . 1 1 65 65 ASN HD22 H 1 7.26 0.03 . 1 . . . . . . . . 4290 1 432 . 1 1 66 66 LYS H H 1 8.28 0.03 . 1 . . . . . . . . 4290 1 433 . 1 1 66 66 LYS HA H 1 4.06 0.03 . 1 . . . . . . . . 4290 1 434 . 1 1 66 66 LYS HB2 H 1 2.05 0.03 . 1 . . . . . . . . 4290 1 435 . 1 1 66 66 LYS HB3 H 1 1.86 0.03 . 1 . . . . . . . . 4290 1 436 . 1 1 66 66 LYS HG2 H 1 1.55 0.03 . 1 . . . . . . . . 4290 1 437 . 1 1 66 66 LYS HG3 H 1 1.51 0.03 . 1 . . . . . . . . 4290 1 438 . 1 1 66 66 LYS HD2 H 1 1.79 0.03 . 1 . . . . . . . . 4290 1 439 . 1 1 66 66 LYS HD3 H 1 1.74 0.03 . 1 . . . . . . . . 4290 1 440 . 1 1 66 66 LYS HE2 H 1 3.11 0.03 . 1 . . . . . . . . 4290 1 441 . 1 1 66 66 LYS HE3 H 1 3.11 0.03 . 1 . . . . . . . . 4290 1 442 . 1 1 66 66 LYS HZ1 H 1 7.49 0.03 . 1 . . . . . . . . 4290 1 443 . 1 1 66 66 LYS HZ2 H 1 7.49 0.03 . 1 . . . . . . . . 4290 1 444 . 1 1 66 66 LYS HZ3 H 1 7.49 0.03 . 1 . . . . . . . . 4290 1 445 . 1 1 67 67 GLU H H 1 8.19 0.03 . 1 . . . . . . . . 4290 1 446 . 1 1 67 67 GLU HA H 1 4.49 0.03 . 1 . . . . . . . . 4290 1 447 . 1 1 67 67 GLU HB2 H 1 2.11 0.03 . 1 . . . . . . . . 4290 1 448 . 1 1 67 67 GLU HB3 H 1 1.90 0.03 . 1 . . . . . . . . 4290 1 449 . 1 1 67 67 GLU HG3 H 1 2.38 0.03 . 1 . . . . . . . . 4290 1 450 . 1 1 68 68 CYS H H 1 7.94 0.03 . 1 . . . . . . . . 4290 1 451 . 1 1 68 68 CYS HA H 1 4.38 0.03 . 1 . . . . . . . . 4290 1 452 . 1 1 68 68 CYS HB2 H 1 3.25 0.03 . 1 . . . . . . . . 4290 1 453 . 1 1 68 68 CYS HB3 H 1 3.22 0.03 . 1 . . . . . . . . 4290 1 454 . 1 1 69 69 HIS H H 1 8.73 0.03 . 1 . . . . . . . . 4290 1 455 . 1 1 69 69 HIS HA H 1 4.69 0.03 . 1 . . . . . . . . 4290 1 456 . 1 1 69 69 HIS HB2 H 1 3.11 0.03 . 1 . . . . . . . . 4290 1 457 . 1 1 69 69 HIS HB3 H 1 3.09 0.03 . 1 . . . . . . . . 4290 1 458 . 1 1 69 69 HIS HD2 H 1 7.15 0.03 . 1 . . . . . . . . 4290 1 459 . 1 1 69 69 HIS HE1 H 1 8.53 0.03 . 1 . . . . . . . . 4290 1 460 . 1 1 70 70 LEU H H 1 8.26 0.03 . 1 . . . . . . . . 4290 1 461 . 1 1 70 70 LEU HA H 1 4.31 0.03 . 1 . . . . . . . . 4290 1 462 . 1 1 70 70 LEU HB2 H 1 1.57 0.03 . 1 . . . . . . . . 4290 1 463 . 1 1 70 70 LEU HB3 H 1 1.47 0.03 . 1 . . . . . . . . 4290 1 464 . 1 1 70 70 LEU HG H 1 1.43 0.03 . 1 . . . . . . . . 4290 1 465 . 1 1 70 70 LEU HD11 H 1 0.89 0.03 . 1 . . . . . . . . 4290 1 466 . 1 1 70 70 LEU HD12 H 1 0.89 0.03 . 1 . . . . . . . . 4290 1 467 . 1 1 70 70 LEU HD13 H 1 0.89 0.03 . 1 . . . . . . . . 4290 1 468 . 1 1 70 70 LEU HD21 H 1 0.82 0.03 . 1 . . . . . . . . 4290 1 469 . 1 1 70 70 LEU HD22 H 1 0.82 0.03 . 1 . . . . . . . . 4290 1 470 . 1 1 70 70 LEU HD23 H 1 0.82 0.03 . 1 . . . . . . . . 4290 1 471 . 1 1 71 71 TRP H H 1 8.15 0.03 . 1 . . . . . . . . 4290 1 472 . 1 1 71 71 TRP HA H 1 4.73 0.03 . 1 . . . . . . . . 4290 1 473 . 1 1 71 71 TRP HB2 H 1 3.29 0.03 . 1 . . . . . . . . 4290 1 474 . 1 1 71 71 TRP HB3 H 1 3.24 0.03 . 1 . . . . . . . . 4290 1 475 . 1 1 71 71 TRP HD1 H 1 7.23 0.03 . 1 . . . . . . . . 4290 1 476 . 1 1 71 71 TRP HE1 H 1 10.15 0.03 . 1 . . . . . . . . 4290 1 477 . 1 1 71 71 TRP HE3 H 1 7.62 0.03 . 1 . . . . . . . . 4290 1 478 . 1 1 71 71 TRP HZ2 H 1 7.43 0.03 . 1 . . . . . . . . 4290 1 479 . 1 1 71 71 TRP HZ3 H 1 7.14 0.03 . 1 . . . . . . . . 4290 1 480 . 1 1 71 71 TRP HH2 H 1 7.20 0.03 . 1 . . . . . . . . 4290 1 481 . 1 1 72 72 LYS H H 1 8.14 0.03 . 1 . . . . . . . . 4290 1 482 . 1 1 72 72 LYS HA H 1 4.32 0.03 . 1 . . . . . . . . 4290 1 483 . 1 1 72 72 LYS HB2 H 1 1.76 0.03 . 1 . . . . . . . . 4290 1 484 . 1 1 72 72 LYS HB3 H 1 1.64 0.03 . 1 . . . . . . . . 4290 1 485 . 1 1 72 72 LYS HG2 H 1 1.28 0.03 . 1 . . . . . . . . 4290 1 486 . 1 1 72 72 LYS HG3 H 1 1.28 0.03 . 1 . . . . . . . . 4290 1 487 . 1 1 72 72 LYS HD2 H 1 1.62 0.03 . 1 . . . . . . . . 4290 1 488 . 1 1 72 72 LYS HD3 H 1 1.62 0.03 . 1 . . . . . . . . 4290 1 489 . 1 1 72 72 LYS HE2 H 1 2.93 0.03 . 1 . . . . . . . . 4290 1 490 . 1 1 72 72 LYS HE3 H 1 2.93 0.03 . 1 . . . . . . . . 4290 1 491 . 1 1 73 73 THR H H 1 8.03 0.03 . 1 . . . . . . . . 4290 1 492 . 1 1 73 73 THR HA H 1 4.24 0.03 . 1 . . . . . . . . 4290 1 493 . 1 1 73 73 THR HB H 1 4.19 0.03 . 1 . . . . . . . . 4290 1 494 . 1 1 73 73 THR HG21 H 1 1.18 0.03 . 1 . . . . . . . . 4290 1 495 . 1 1 73 73 THR HG22 H 1 1.18 0.03 . 1 . . . . . . . . 4290 1 496 . 1 1 73 73 THR HG23 H 1 1.18 0.03 . 1 . . . . . . . . 4290 1 stop_ save_