data_19403 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19403 _Entry.Title ; The Clip-segment of the von Willebrand domain 1 of the BMP modulator protein Crossveinless 2 is preformed ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-02 _Entry.Accession_date 2013-08-02 _Entry.Last_release_date 2013-10-14 _Entry.Original_release_date 2013-10-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Thomas Mueller . D. . 19403 2 Juliane Fiebig . E. . 19403 3 Stella Weidauer . E. . 19403 4 Li-Yan Qiu . . . 19403 5 Markus Bauer . . . 19403 6 Peter Schmieder . . . 19403 7 Monika Beerbaum . . . 19403 8 Jin-Li Zhang . . . 19403 9 Hartmut Oschkinat . . . 19403 10 Walter Sebald . . . 19403 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19403 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID BMPER . 19403 'BMP modulator' . 19403 'Crossveinless 2' . 19403 'von Willebrand type C domain' . 19403 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19403 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 195 19403 '15N chemical shifts' 63 19403 '1H chemical shifts' 419 19403 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 . . 2013-10-14 2013-08-02 original author . 19403 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19403 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24071977 _Citation.Full_citation . _Citation.Title 'The Clip-Segment of the von Willebrand Domain 1 of the BMP Modulator Protein Crossveinless 2 Is Preformed' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Molecules _Citation.Journal_name_full . _Citation.Journal_volume 18 _Citation.Journal_issue 10 _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 11658 _Citation.Page_last 11682 _Citation.Year 2013 _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 Juliane Fiebig . E. . 19403 1 2 Stella Weidauer . E. . 19403 1 3 Li-Yan Qiu . . . 19403 1 4 Markus Bauer . . . 19403 1 5 Peter Schmieder . . . 19403 1 6 Monika Beerbaum . . . 19403 1 7 Jin-Li Zhang . . . 19403 1 8 Hartmut Oschkinat . . . 19403 1 9 Walter Sebald . . . 19403 1 10 Thomas Mueller . D. . 19403 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19403 _Assembly.ID 1 _Assembly.Name 'Clip-segment of the von Willebrand domain 1 of Crossveinless 2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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_ _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 'Clip-segment of the von Willebrand domain 1 of Crossveinless 2' 1 $entity A . yes native no no . . . 19403 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19403 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; WLITGTEASCENEGEVLHIP NITDNPCISCVCLNQKAECK QEKCAPLAEDCALVVKQTGA CCEKCKG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -1,W 1,L ; _Entity.Polymer_author_seq_details 'residues L1 to G66 represent the first von Willebrand type C domain of Danio rerio Crossveinless 2. Numbering refers to mature part.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7192.319 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 yes EMBL AAI46643.1 . . . . . . . . . . . . . . . . 19403 1 2 no PDB 2MBK . "The Clip-segment Of The Von Willebrand Domain 1 Of The Bmp Modulator Protein Crossveinless 2 Is Preformed" . . . . . 100.00 69 100.00 100.00 3.26e-38 . . . . 19403 1 3 no PDB 3BK3 . "Crystal Structure Of The Complex Of Bmp-2 And The First Von Willebrand Domain Type C Of Crossveinless-2" . . . . . 100.00 67 100.00 100.00 3.84e-38 . . . . 19403 1 4 no GB AAI46643 . "Bmper protein [Danio rerio]" . . . . . 98.51 668 100.00 100.00 2.43e-33 . . . . 19403 1 5 no GB AAI62513 . "Bmper protein [Danio rerio]" . . . . . 98.51 668 100.00 100.00 2.43e-33 . . . . 19403 1 6 no GB AAX14720 . "crossveinless 2 [Danio rerio]" . . . . . 98.51 668 100.00 100.00 1.94e-33 . . . . 19403 1 7 no GB ABD48948 . "Bmper [Danio rerio]" . . . . . 98.51 668 100.00 100.00 2.43e-33 . . . . 19403 1 8 no GB AJG06024 . "Bmper, partial [Danio rerio]" . . . . . 98.51 609 100.00 100.00 1.05e-33 . . . . 19403 1 9 no REF NP_001018323 . "BMP-binding endothelial regulator protein precursor [Danio rerio]" . . . . . 98.51 668 100.00 100.00 2.43e-33 . . . . 19403 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 TRP . 19403 1 2 1 LEU . 19403 1 3 2 ILE . 19403 1 4 3 THR . 19403 1 5 4 GLY . 19403 1 6 5 THR . 19403 1 7 6 GLU . 19403 1 8 7 ALA . 19403 1 9 8 SER . 19403 1 10 9 CYS . 19403 1 11 10 GLU . 19403 1 12 11 ASN . 19403 1 13 12 GLU . 19403 1 14 13 GLY . 19403 1 15 14 GLU . 19403 1 16 15 VAL . 19403 1 17 16 LEU . 19403 1 18 17 HIS . 19403 1 19 18 ILE . 19403 1 20 19 PRO . 19403 1 21 20 ASN . 19403 1 22 21 ILE . 19403 1 23 22 THR . 19403 1 24 23 ASP . 19403 1 25 24 ASN . 19403 1 26 25 PRO . 19403 1 27 26 CYS . 19403 1 28 27 ILE . 19403 1 29 28 SER . 19403 1 30 29 CYS . 19403 1 31 30 VAL . 19403 1 32 31 CYS . 19403 1 33 32 LEU . 19403 1 34 33 ASN . 19403 1 35 34 GLN . 19403 1 36 35 LYS . 19403 1 37 36 ALA . 19403 1 38 37 GLU . 19403 1 39 38 CYS . 19403 1 40 39 LYS . 19403 1 41 40 GLN . 19403 1 42 41 GLU . 19403 1 43 42 LYS . 19403 1 44 43 CYS . 19403 1 45 44 ALA . 19403 1 46 45 PRO . 19403 1 47 46 LEU . 19403 1 48 47 ALA . 19403 1 49 48 GLU . 19403 1 50 49 ASP . 19403 1 51 50 CYS . 19403 1 52 51 ALA . 19403 1 53 52 LEU . 19403 1 54 53 VAL . 19403 1 55 54 VAL . 19403 1 56 55 LYS . 19403 1 57 56 GLN . 19403 1 58 57 THR . 19403 1 59 58 GLY . 19403 1 60 59 ALA . 19403 1 61 60 CYS . 19403 1 62 61 CYS . 19403 1 63 62 GLU . 19403 1 64 63 LYS . 19403 1 65 64 CYS . 19403 1 66 65 LYS . 19403 1 67 66 GLY . 19403 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 . TRP 1 1 19403 1 . LEU 2 2 19403 1 . ILE 3 3 19403 1 . THR 4 4 19403 1 . GLY 5 5 19403 1 . THR 6 6 19403 1 . GLU 7 7 19403 1 . ALA 8 8 19403 1 . SER 9 9 19403 1 . CYS 10 10 19403 1 . GLU 11 11 19403 1 . ASN 12 12 19403 1 . GLU 13 13 19403 1 . GLY 14 14 19403 1 . GLU 15 15 19403 1 . VAL 16 16 19403 1 . LEU 17 17 19403 1 . HIS 18 18 19403 1 . ILE 19 19 19403 1 . PRO 20 20 19403 1 . ASN 21 21 19403 1 . ILE 22 22 19403 1 . THR 23 23 19403 1 . ASP 24 24 19403 1 . ASN 25 25 19403 1 . PRO 26 26 19403 1 . CYS 27 27 19403 1 . ILE 28 28 19403 1 . SER 29 29 19403 1 . CYS 30 30 19403 1 . VAL 31 31 19403 1 . CYS 32 32 19403 1 . LEU 33 33 19403 1 . ASN 34 34 19403 1 . GLN 35 35 19403 1 . LYS 36 36 19403 1 . ALA 37 37 19403 1 . GLU 38 38 19403 1 . CYS 39 39 19403 1 . LYS 40 40 19403 1 . GLN 41 41 19403 1 . GLU 42 42 19403 1 . LYS 43 43 19403 1 . CYS 44 44 19403 1 . ALA 45 45 19403 1 . PRO 46 46 19403 1 . LEU 47 47 19403 1 . ALA 48 48 19403 1 . GLU 49 49 19403 1 . ASP 50 50 19403 1 . CYS 51 51 19403 1 . ALA 52 52 19403 1 . LEU 53 53 19403 1 . VAL 54 54 19403 1 . VAL 55 55 19403 1 . LYS 56 56 19403 1 . GLN 57 57 19403 1 . THR 58 58 19403 1 . GLY 59 59 19403 1 . ALA 60 60 19403 1 . CYS 61 61 19403 1 . CYS 62 62 19403 1 . GLU 63 63 19403 1 . LYS 64 64 19403 1 . CYS 65 65 19403 1 . LYS 66 66 19403 1 . GLY 67 67 19403 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 19403 _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 $entity . 7955 organism . 'Danio rerio' zebrafish . . Eukaryota Metazoa Danio rerio . . . . . . . . . . . . . . . . . . . . . 19403 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 19403 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET32a . . . . . . 19403 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19403 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _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 'CV2 VWC1' '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 2 . . mM . . . . 19403 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19403 1 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 19403 1 4 D2O [U-2H] . . . . . . 5 . . % . . . . 19403 1 5 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 19403 1 6 H2O [U-2H] . . . . . . 95 . . % . . . . 19403 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19403 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _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 'CV2 VWC1' '[U-99% 15N]' . . 1 $entity . . 1.5 . . mM . . . . 19403 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19403 2 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 19403 2 4 D2O [U-2H] . . . . . . 5 . . % . . . . 19403 2 5 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 19403 2 6 H2O [U-2H] . . . . . . 95 . . % . . . . 19403 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19403 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _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 'CV2 VWC1' 'natural abundance' . . 1 $entity . . 2 . . mM . . . . 19403 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19403 3 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 19403 3 4 D2O [U-2H] . . . . . . 5 . . % . . . . 19403 3 5 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 19403 3 6 H2O [U-2H] . . . . . . 95 . . % . . . . 19403 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19403 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.04 . M 19403 1 pH 6.6 . pH 19403 1 pressure 1 . atm 19403 1 temperature 300 . K 19403 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19403 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19403 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19403 1 processing 19403 1 stop_ save_ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 19403 _Software.ID 2 _Software.Name AURELIA _Software.Version 3.85 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Neidig, Geyer, Gorler, Antz, Saffrich, Beneicke, Kalbitzer' . . 19403 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19403 2 'data analysis' 19403 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19403 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version 2.29 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19403 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19403 3 'structure solution' 19403 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19403 _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_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19403 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19403 _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 spectrometer_1 Bruker Avance . 600 . . . 19403 1 2 spectrometer_2 Bruker Avance . 900 . . . 19403 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 19403 _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 TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19403 1 2 '2D DQF-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19403 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19403 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19403 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19403 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19403 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19403 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19403 1 9 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19403 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19403 1 11 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19403 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19403 _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 C 13 water protons . . . . ppm 4.76 internal indirect 0.251449530 . . . . . . . . . 19403 1 H 1 water protons . . . . ppm 4.76 internal direct 1.0 . . . . . . . . . 19403 1 N 15 water protons . . . . ppm 4.76 internal indirect 0.101329118 . . . . . . . . . 19403 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19403 _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_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-1H TOCSY' . . . 19403 1 2 '3D 1H-15N TOCSY' . . . 19403 1 3 '2D DQF-COSY' . . . 19403 1 4 '3D CBCA(CO)NH' . . . 19403 1 5 '3D HNCACB' . . . 19403 1 6 '3D HNCO' . . . 19403 1 7 '3D HBHA(CO)NH' . . . 19403 1 8 '3D H(CCO)NH' . . . 19403 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 TRP H H 1 8.180 0.02 . . . . . A -1 TRP H1 . 19403 1 2 . 1 1 1 1 TRP HA H 1 4.690 0.02 . . . . . A -1 TRP HA . 19403 1 3 . 1 1 1 1 TRP HB2 H 1 3.100 0.02 . . . . . A -1 TRP HB2 . 19403 1 4 . 1 1 1 1 TRP HB3 H 1 3.180 0.02 . . . . . A -1 TRP HB3 . 19403 1 5 . 1 1 1 1 TRP HD1 H 1 7.070 0.02 . . . . . A -1 TRP HD1 . 19403 1 6 . 1 1 1 1 TRP HE1 H 1 10.020 0.02 . . . . . A -1 TRP HE1 . 19403 1 7 . 1 1 1 1 TRP HE3 H 1 7.460 0.02 . . . . . A -1 TRP HE3 . 19403 1 8 . 1 1 1 1 TRP HZ2 H 1 7.360 0.02 . . . . . A -1 TRP HZ2 . 19403 1 9 . 1 1 1 1 TRP HZ3 H 1 6.990 0.02 . . . . . A -1 TRP HZ3 . 19403 1 10 . 1 1 1 1 TRP HH2 H 1 7.080 0.02 . . . . . A -1 TRP HH2 . 19403 1 11 . 1 1 1 1 TRP C C 13 177.310 0.30 . . . . . A -1 TRP C . 19403 1 12 . 1 1 1 1 TRP CA C 13 56.670 0.30 . . . . . A -1 TRP CA . 19403 1 13 . 1 1 1 1 TRP CB C 13 29.770 0.30 . . . . . A -1 TRP CB . 19403 1 14 . 1 1 1 1 TRP N N 15 122.420 0.30 . . . . . A -1 TRP N . 19403 1 15 . 1 1 2 2 LEU H H 1 8.050 0.02 . . . . . A 1 LEU H . 19403 1 16 . 1 1 2 2 LEU HA H 1 4.320 0.02 . . . . . A 1 LEU HA . 19403 1 17 . 1 1 2 2 LEU HB2 H 1 1.360 0.02 . . . . . A 1 LEU HB2 . 19403 1 18 . 1 1 2 2 LEU HB3 H 1 1.360 0.02 . . . . . A 1 LEU HB3 . 19403 1 19 . 1 1 2 2 LEU HD11 H 1 0.710 0.02 . . . . . A 1 LEU HD11 . 19403 1 20 . 1 1 2 2 LEU HD12 H 1 0.710 0.02 . . . . . A 1 LEU HD12 . 19403 1 21 . 1 1 2 2 LEU HD13 H 1 0.710 0.02 . . . . . A 1 LEU HD13 . 19403 1 22 . 1 1 2 2 LEU HD21 H 1 0.710 0.02 . . . . . A 1 LEU HD21 . 19403 1 23 . 1 1 2 2 LEU HD22 H 1 0.710 0.02 . . . . . A 1 LEU HD22 . 19403 1 24 . 1 1 2 2 LEU HD23 H 1 0.710 0.02 . . . . . A 1 LEU HD23 . 19403 1 25 . 1 1 2 2 LEU C C 13 178.720 0.30 . . . . . A 1 LEU C . 19403 1 26 . 1 1 2 2 LEU CA C 13 54.670 0.30 . . . . . A 1 LEU CA . 19403 1 27 . 1 1 2 2 LEU CB C 13 42.440 0.30 . . . . . A 1 LEU CB . 19403 1 28 . 1 1 2 2 LEU N N 15 123.770 0.30 . . . . . A 1 LEU N . 19403 1 29 . 1 1 3 3 ILE H H 1 8.080 0.02 . . . . . A 2 ILE H . 19403 1 30 . 1 1 3 3 ILE HA H 1 4.210 0.02 . . . . . A 2 ILE HA . 19403 1 31 . 1 1 3 3 ILE HB H 1 1.744 0.02 . . . . . A 2 ILE HB . 19403 1 32 . 1 1 3 3 ILE HG13 H 1 1.150 0.02 . . . . . A 2 ILE HG13 . 19403 1 33 . 1 1 3 3 ILE HG21 H 1 0.830 0.02 . . . . . A 2 ILE HG21 . 19403 1 34 . 1 1 3 3 ILE HG22 H 1 0.830 0.02 . . . . . A 2 ILE HG22 . 19403 1 35 . 1 1 3 3 ILE HG23 H 1 0.830 0.02 . . . . . A 2 ILE HG23 . 19403 1 36 . 1 1 3 3 ILE HD11 H 1 0.790 0.02 . . . . . A 2 ILE HD11 . 19403 1 37 . 1 1 3 3 ILE HD12 H 1 0.790 0.02 . . . . . A 2 ILE HD12 . 19403 1 38 . 1 1 3 3 ILE HD13 H 1 0.790 0.02 . . . . . A 2 ILE HD13 . 19403 1 39 . 1 1 3 3 ILE C C 13 178.250 0.30 . . . . . A 2 ILE C . 19403 1 40 . 1 1 3 3 ILE CA C 13 60.400 0.30 . . . . . A 2 ILE CA . 19403 1 41 . 1 1 3 3 ILE CB C 13 38.270 0.30 . . . . . A 2 ILE CB . 19403 1 42 . 1 1 3 3 ILE N N 15 122.420 0.30 . . . . . A 2 ILE N . 19403 1 43 . 1 1 4 4 THR H H 1 8.250 0.02 . . . . . A 3 THR H . 19403 1 44 . 1 1 4 4 THR HA H 1 4.300 0.02 . . . . . A 3 THR HA . 19403 1 45 . 1 1 4 4 THR HB H 1 4.160 0.02 . . . . . A 3 THR HB . 19403 1 46 . 1 1 4 4 THR HG21 H 1 1.110 0.02 . . . . . A 3 THR HG21 . 19403 1 47 . 1 1 4 4 THR HG22 H 1 1.110 0.02 . . . . . A 3 THR HG22 . 19403 1 48 . 1 1 4 4 THR HG23 H 1 1.110 0.02 . . . . . A 3 THR HG23 . 19403 1 49 . 1 1 4 4 THR C C 13 177.090 0.30 . . . . . A 3 THR C . 19403 1 50 . 1 1 4 4 THR CA C 13 61.440 0.30 . . . . . A 3 THR CA . 19403 1 51 . 1 1 4 4 THR CB C 13 69.950 0.30 . . . . . A 3 THR CB . 19403 1 52 . 1 1 4 4 THR N N 15 117.190 0.30 . . . . . A 3 THR N . 19403 1 53 . 1 1 5 5 GLY H H 1 8.430 0.02 . . . . . A 4 GLY H . 19403 1 54 . 1 1 5 5 GLY HA2 H 1 3.860 0.02 . . . . . A 4 GLY HA2 . 19403 1 55 . 1 1 5 5 GLY HA3 H 1 4.070 0.02 . . . . . A 4 GLY HA3 . 19403 1 56 . 1 1 5 5 GLY C C 13 177.090 0.30 . . . . . A 4 GLY C . 19403 1 57 . 1 1 5 5 GLY CA C 13 45.220 0.30 . . . . . A 4 GLY CA . 19403 1 58 . 1 1 5 5 GLY N N 15 110.030 0.30 . . . . . A 4 GLY N . 19403 1 59 . 1 1 6 6 THR H H 1 8.430 0.02 . . . . . A 5 THR H . 19403 1 60 . 1 1 6 6 THR HA H 1 4.160 0.02 . . . . . A 5 THR HA . 19403 1 61 . 1 1 6 6 THR HB H 1 4.160 0.02 . . . . . A 5 THR HB . 19403 1 62 . 1 1 6 6 THR HG21 H 1 1.110 0.02 . . . . . A 5 THR HG21 . 19403 1 63 . 1 1 6 6 THR HG22 H 1 1.110 0.02 . . . . . A 5 THR HG22 . 19403 1 64 . 1 1 6 6 THR HG23 H 1 1.110 0.02 . . . . . A 5 THR HG23 . 19403 1 65 . 1 1 6 6 THR C C 13 177.130 0.30 . . . . . A 5 THR C . 19403 1 66 . 1 1 6 6 THR CA C 13 62.660 0.30 . . . . . A 5 THR CA . 19403 1 67 . 1 1 6 6 THR CB C 13 69.170 0.30 . . . . . A 5 THR CB . 19403 1 68 . 1 1 6 6 THR N N 15 113.900 0.30 . . . . . A 5 THR N . 19403 1 69 . 1 1 7 7 GLU H H 1 8.610 0.02 . . . . . A 6 GLU H . 19403 1 70 . 1 1 7 7 GLU HA H 1 4.260 0.02 . . . . . A 6 GLU HA . 19403 1 71 . 1 1 7 7 GLU HB2 H 1 1.950 0.02 . . . . . A 6 GLU HB2 . 19403 1 72 . 1 1 7 7 GLU HB3 H 1 1.950 0.02 . . . . . A 6 GLU HB3 . 19403 1 73 . 1 1 7 7 GLU HG2 H 1 2.200 0.02 . . . . . A 6 GLU HG2 . 19403 1 74 . 1 1 7 7 GLU HG3 H 1 2.200 0.02 . . . . . A 6 GLU HG3 . 19403 1 75 . 1 1 7 7 GLU C C 13 177.900 0.30 . . . . . A 6 GLU C . 19403 1 76 . 1 1 7 7 GLU CA C 13 56.670 0.30 . . . . . A 6 GLU CA . 19403 1 77 . 1 1 7 7 GLU CB C 13 29.420 0.30 . . . . . A 6 GLU CB . 19403 1 78 . 1 1 7 7 GLU N N 15 122.220 0.30 . . . . . A 6 GLU N . 19403 1 79 . 1 1 8 8 ALA H H 1 7.910 0.02 . . . . . A 7 ALA H . 19403 1 80 . 1 1 8 8 ALA HA H 1 4.260 0.02 . . . . . A 7 ALA HA . 19403 1 81 . 1 1 8 8 ALA HB1 H 1 1.290 0.02 . . . . . A 7 ALA HB1 . 19403 1 82 . 1 1 8 8 ALA HB2 H 1 1.290 0.02 . . . . . A 7 ALA HB2 . 19403 1 83 . 1 1 8 8 ALA HB3 H 1 1.290 0.02 . . . . . A 7 ALA HB3 . 19403 1 84 . 1 1 8 8 ALA C C 13 179.120 0.30 . . . . . A 7 ALA C . 19403 1 85 . 1 1 8 8 ALA CA C 13 52.070 0.30 . . . . . A 7 ALA CA . 19403 1 86 . 1 1 8 8 ALA CB C 13 19.530 0.30 . . . . . A 7 ALA CB . 19403 1 87 . 1 1 8 8 ALA N N 15 122.990 0.30 . . . . . A 7 ALA N . 19403 1 88 . 1 1 9 9 SER H H 1 7.990 0.02 . . . . . A 8 SER H . 19403 1 89 . 1 1 9 9 SER HA H 1 4.780 0.02 . . . . . A 8 SER HA . 19403 1 90 . 1 1 9 9 SER HB2 H 1 3.850 0.02 . . . . . A 8 SER HB2 . 19403 1 91 . 1 1 9 9 SER HB3 H 1 3.850 0.02 . . . . . A 8 SER HB3 . 19403 1 92 . 1 1 9 9 SER C C 13 175.196 0.30 . . . . . A 8 SER C . 19403 1 93 . 1 1 9 9 SER CA C 13 57.880 0.30 . . . . . A 8 SER CA . 19403 1 94 . 1 1 9 9 SER CB C 13 64.130 0.30 . . . . . A 8 SER CB . 19403 1 95 . 1 1 9 9 SER N N 15 114.870 0.30 . . . . . A 8 SER N . 19403 1 96 . 1 1 10 10 CYS H H 1 7.950 0.02 . . . . . A 9 CYS H . 19403 1 97 . 1 1 10 10 CYS HA H 1 4.760 0.02 . . . . . A 9 CYS HA . 19403 1 98 . 1 1 10 10 CYS HB2 H 1 3.300 0.02 . . . . . A 9 CYS HB2 . 19403 1 99 . 1 1 10 10 CYS HB3 H 1 3.040 0.02 . . . . . A 9 CYS HB3 . 19403 1 100 . 1 1 10 10 CYS C C 13 175.254 0.30 . . . . . A 9 CYS C . 19403 1 101 . 1 1 10 10 CYS CA C 13 54.240 0.30 . . . . . A 9 CYS CA . 19403 1 102 . 1 1 10 10 CYS CB C 13 45.910 0.30 . . . . . A 9 CYS CB . 19403 1 103 . 1 1 10 10 CYS N N 15 118.160 0.30 . . . . . A 9 CYS N . 19403 1 104 . 1 1 11 11 GLU H H 1 8.390 0.02 . . . . . A 10 GLU H . 19403 1 105 . 1 1 11 11 GLU HA H 1 4.460 0.02 . . . . . A 10 GLU HA . 19403 1 106 . 1 1 11 11 GLU HB2 H 1 1.770 0.02 . . . . . A 10 GLU HB2 . 19403 1 107 . 1 1 11 11 GLU HB3 H 1 1.960 0.02 . . . . . A 10 GLU HB3 . 19403 1 108 . 1 1 11 11 GLU HG2 H 1 2.100 0.02 . . . . . A 10 GLU HG2 . 19403 1 109 . 1 1 11 11 GLU HG3 H 1 2.100 0.02 . . . . . A 10 GLU HG3 . 19403 1 110 . 1 1 11 11 GLU C C 13 178.450 0.30 . . . . . A 10 GLU C . 19403 1 111 . 1 1 11 11 GLU CA C 13 56.840 0.30 . . . . . A 10 GLU CA . 19403 1 112 . 1 1 11 11 GLU CB C 13 32.200 0.30 . . . . . A 10 GLU CB . 19403 1 113 . 1 1 11 11 GLU N N 15 117.380 0.30 . . . . . A 10 GLU N . 19403 1 114 . 1 1 12 12 ASN H H 1 8.430 0.02 . . . . . A 11 ASN H . 19403 1 115 . 1 1 12 12 ASN HA H 1 4.870 0.02 . . . . . A 11 ASN HA . 19403 1 116 . 1 1 12 12 ASN HB2 H 1 2.480 0.02 . . . . . A 11 ASN HB2 . 19403 1 117 . 1 1 12 12 ASN HB3 H 1 2.750 0.02 . . . . . A 11 ASN HB3 . 19403 1 118 . 1 1 12 12 ASN C C 13 175.920 0.30 . . . . . A 11 ASN C . 19403 1 119 . 1 1 12 12 ASN CA C 13 51.640 0.30 . . . . . A 11 ASN CA . 19403 1 120 . 1 1 12 12 ASN CB C 13 37.660 0.03 . . . . . A 11 ASN CB . 19403 1 121 . 1 1 12 12 ASN N N 15 119.320 0.30 . . . . . A 11 ASN N . 19403 1 122 . 1 1 13 13 GLU H H 1 8.290 0.02 . . . . . A 12 GLU H . 19403 1 123 . 1 1 13 13 GLU HA H 1 3.570 0.02 . . . . . A 12 GLU HA . 19403 1 124 . 1 1 13 13 GLU HB2 H 1 1.870 0.02 . . . . . A 12 GLU HB2 . 19403 1 125 . 1 1 13 13 GLU HB3 H 1 1.870 0.02 . . . . . A 12 GLU HB3 . 19403 1 126 . 1 1 13 13 GLU HG2 H 1 2.150 0.02 . . . . . A 12 GLU HG2 . 19403 1 127 . 1 1 13 13 GLU HG3 H 1 2.300 0.02 . . . . . A 12 GLU HG3 . 19403 1 128 . 1 1 13 13 GLU C C 13 180.140 0.30 . . . . . A 12 GLU C . 19403 1 129 . 1 1 13 13 GLU CA C 13 57.800 0.30 . . . . . A 12 GLU CA . 19403 1 130 . 1 1 13 13 GLU CB C 13 29.340 0.30 . . . . . A 12 GLU CB . 19403 1 131 . 1 1 13 13 GLU N N 15 124.740 0.30 . . . . . A 12 GLU N . 19403 1 132 . 1 1 14 14 GLY H H 1 9.480 0.02 . . . . . A 13 GLY H . 19403 1 133 . 1 1 14 14 GLY HA2 H 1 3.540 0.02 . . . . . A 13 GLY HA2 . 19403 1 134 . 1 1 14 14 GLY HA3 H 1 4.150 0.02 . . . . . A 13 GLY HA3 . 19403 1 135 . 1 1 14 14 GLY C C 13 175.910 0.30 . . . . . A 13 GLY C . 19403 1 136 . 1 1 14 14 GLY CA C 13 44.960 0.30 . . . . . A 13 GLY CA . 19403 1 137 . 1 1 14 14 GLY N N 15 114.870 0.30 . . . . . A 13 GLY N . 19403 1 138 . 1 1 15 15 GLU H H 1 7.610 0.02 . . . . . A 14 GLU H . 19403 1 139 . 1 1 15 15 GLU HA H 1 4.160 0.02 . . . . . A 14 GLU HA . 19403 1 140 . 1 1 15 15 GLU HB2 H 1 1.860 0.02 . . . . . A 14 GLU HB2 . 19403 1 141 . 1 1 15 15 GLU HB3 H 1 1.930 0.02 . . . . . A 14 GLU HB3 . 19403 1 142 . 1 1 15 15 GLU HG2 H 1 2.170 0.02 . . . . . A 14 GLU HG2 . 19403 1 143 . 1 1 15 15 GLU HG3 H 1 2.170 0.02 . . . . . A 14 GLU HG3 . 19403 1 144 . 1 1 15 15 GLU C C 13 177.760 0.30 . . . . . A 14 GLU C . 19403 1 145 . 1 1 15 15 GLU CA C 13 56.320 0.30 . . . . . A 14 GLU CA . 19403 1 146 . 1 1 15 15 GLU CB C 13 31.160 0.30 . . . . . A 14 GLU CB . 19403 1 147 . 1 1 15 15 GLU N N 15 121.060 0.30 . . . . . A 14 GLU N . 19403 1 148 . 1 1 16 16 VAL H H 1 8.310 0.02 . . . . . A 15 VAL H . 19403 1 149 . 1 1 16 16 VAL HA H 1 3.960 0.02 . . . . . A 15 VAL HA . 19403 1 150 . 1 1 16 16 VAL HB H 1 1.870 0.02 . . . . . A 15 VAL HB . 19403 1 151 . 1 1 16 16 VAL HG11 H 1 0.990 0.02 . . . . . A 15 VAL HG11 . 19403 1 152 . 1 1 16 16 VAL HG12 H 1 0.990 0.02 . . . . . A 15 VAL HG12 . 19403 1 153 . 1 1 16 16 VAL HG13 H 1 0.990 0.02 . . . . . A 15 VAL HG13 . 19403 1 154 . 1 1 16 16 VAL HG21 H 1 0.820 0.02 . . . . . A 15 VAL HG21 . 19403 1 155 . 1 1 16 16 VAL HG22 H 1 0.820 0.02 . . . . . A 15 VAL HG22 . 19403 1 156 . 1 1 16 16 VAL HG23 H 1 0.820 0.02 . . . . . A 15 VAL HG23 . 19403 1 157 . 1 1 16 16 VAL C C 13 177.870 0.30 . . . . . A 15 VAL C . 19403 1 158 . 1 1 16 16 VAL CA C 13 63.350 0.30 . . . . . A 15 VAL CA . 19403 1 159 . 1 1 16 16 VAL CB C 13 31.510 0.30 . . . . . A 15 VAL CB . 19403 1 160 . 1 1 16 16 VAL N N 15 123.960 0.30 . . . . . A 15 VAL N . 19403 1 161 . 1 1 17 17 LEU H H 1 8.000 0.02 . . . . . A 16 LEU H . 19403 1 162 . 1 1 17 17 LEU HA H 1 4.450 0.02 . . . . . A 16 LEU HA . 19403 1 163 . 1 1 17 17 LEU HB2 H 1 1.110 0.02 . . . . . A 16 LEU HB2 . 19403 1 164 . 1 1 17 17 LEU HB3 H 1 1.110 0.02 . . . . . A 16 LEU HB3 . 19403 1 165 . 1 1 17 17 LEU HG H 1 1.470 0.02 . . . . . A 16 LEU HG . 19403 1 166 . 1 1 17 17 LEU HD11 H 1 0.740 0.02 . . . . . A 16 LEU HD11 . 19403 1 167 . 1 1 17 17 LEU HD12 H 1 0.740 0.02 . . . . . A 16 LEU HD12 . 19403 1 168 . 1 1 17 17 LEU HD13 H 1 0.740 0.02 . . . . . A 16 LEU HD13 . 19403 1 169 . 1 1 17 17 LEU HD21 H 1 0.600 0.02 . . . . . A 16 LEU HD21 . 19403 1 170 . 1 1 17 17 LEU HD22 H 1 0.600 0.02 . . . . . A 16 LEU HD22 . 19403 1 171 . 1 1 17 17 LEU HD23 H 1 0.600 0.02 . . . . . A 16 LEU HD23 . 19403 1 172 . 1 1 17 17 LEU C C 13 177.600 0.30 . . . . . A 16 LEU C . 19403 1 173 . 1 1 17 17 LEU CA C 13 53.030 0.30 . . . . . A 16 LEU CA . 19403 1 174 . 1 1 17 17 LEU CB C 13 44.440 0.30 . . . . . A 16 LEU CB . 19403 1 175 . 1 1 17 17 LEU N N 15 127.250 0.30 . . . . . A 16 LEU N . 19403 1 176 . 1 1 18 18 HIS H H 1 8.560 0.02 . . . . . A 17 HIS H . 19403 1 177 . 1 1 18 18 HIS HA H 1 4.770 0.02 . . . . . A 17 HIS HA . 19403 1 178 . 1 1 18 18 HIS HB2 H 1 2.840 0.02 . . . . . A 17 HIS HB2 . 19403 1 179 . 1 1 18 18 HIS HB3 H 1 2.840 0.02 . . . . . A 17 HIS HB3 . 19403 1 180 . 1 1 18 18 HIS HD2 H 1 6.970 0.02 . . . . . A 17 HIS HD2 . 19403 1 181 . 1 1 18 18 HIS HE1 H 1 8.030 0.02 . . . . . A 17 HIS HE1 . 19403 1 182 . 1 1 18 18 HIS C C 13 176.690 0.30 . . . . . A 17 HIS C . 19403 1 183 . 1 1 18 18 HIS CA C 13 54.670 0.30 . . . . . A 17 HIS CA . 19403 1 184 . 1 1 18 18 HIS CB C 13 30.380 0.30 . . . . . A 17 HIS CB . 19403 1 185 . 1 1 18 18 HIS N N 15 121.450 0.30 . . . . . A 17 HIS N . 19403 1 186 . 1 1 19 19 ILE H H 1 8.650 0.02 . . . . . A 18 ILE H . 19403 1 187 . 1 1 19 19 ILE HA H 1 4.420 0.02 . . . . . A 18 ILE HA . 19403 1 188 . 1 1 19 19 ILE HB H 1 1.560 0.02 . . . . . A 18 ILE HB . 19403 1 189 . 1 1 19 19 ILE HG12 H 1 1.200 0.02 . . . . . A 18 ILE HG12 . 19403 1 190 . 1 1 19 19 ILE HG13 H 1 1.200 0.02 . . . . . A 18 ILE HG13 . 19403 1 191 . 1 1 19 19 ILE HG21 H 1 0.820 0.02 . . . . . A 18 ILE HG21 . 19403 1 192 . 1 1 19 19 ILE HG22 H 1 0.820 0.02 . . . . . A 18 ILE HG22 . 19403 1 193 . 1 1 19 19 ILE HG23 H 1 0.820 0.02 . . . . . A 18 ILE HG23 . 19403 1 194 . 1 1 19 19 ILE HD11 H 1 0.650 0.02 . . . . . A 18 ILE HD11 . 19403 1 195 . 1 1 19 19 ILE HD12 H 1 0.650 0.02 . . . . . A 18 ILE HD12 . 19403 1 196 . 1 1 19 19 ILE HD13 H 1 0.650 0.02 . . . . . A 18 ILE HD13 . 19403 1 197 . 1 1 19 19 ILE C C 13 175.600 0.30 . . . . . A 18 ILE C . 19403 1 198 . 1 1 19 19 ILE CA C 13 57.710 0.30 . . . . . A 18 ILE CA . 19403 1 199 . 1 1 19 19 ILE CB C 13 40.530 0.30 . . . . . A 18 ILE CB . 19403 1 200 . 1 1 19 19 ILE N N 15 126.290 0.30 . . . . . A 18 ILE N . 19403 1 201 . 1 1 20 20 PRO HA H 1 4.060 0.02 . . . . . A 19 PRO HA . 19403 1 202 . 1 1 20 20 PRO HB2 H 1 2.260 0.02 . . . . . A 19 PRO HB2 . 19403 1 203 . 1 1 20 20 PRO HB3 H 1 1.790 0.02 . . . . . A 19 PRO HB3 . 19403 1 204 . 1 1 20 20 PRO HG2 H 1 2.010 0.02 . . . . . A 19 PRO HG2 . 19403 1 205 . 1 1 20 20 PRO HG3 H 1 2.010 0.02 . . . . . A 19 PRO HG3 . 19403 1 206 . 1 1 20 20 PRO HD2 H 1 3.660 0.02 . . . . . A 19 PRO HD2 . 19403 1 207 . 1 1 20 20 PRO HD3 H 1 3.660 0.02 . . . . . A 19 PRO HD3 . 19403 1 208 . 1 1 20 20 PRO C C 13 178.800 0.30 . . . . . A 19 PRO C . 19403 1 209 . 1 1 20 20 PRO CA C 13 57.710 0.30 . . . . . A 19 PRO CA . 19403 1 210 . 1 1 20 20 PRO CB C 13 40.530 0.30 . . . . . A 19 PRO CB . 19403 1 211 . 1 1 21 21 ASN H H 1 8.820 0.02 . . . . . A 20 ASN H . 19403 1 212 . 1 1 21 21 ASN HA H 1 4.290 0.02 . . . . . A 20 ASN HA . 19403 1 213 . 1 1 21 21 ASN HB2 H 1 2.880 0.02 . . . . . A 20 ASN HB2 . 19403 1 214 . 1 1 21 21 ASN HB3 H 1 3.050 0.02 . . . . . A 20 ASN HB3 . 19403 1 215 . 1 1 21 21 ASN C C 13 176.710 0.30 . . . . . A 20 ASN C . 19403 1 216 . 1 1 21 21 ASN CA C 13 55.710 0.30 . . . . . A 20 ASN CA . 19403 1 217 . 1 1 21 21 ASN CB C 13 37.750 0.30 . . . . . A 20 ASN CB . 19403 1 218 . 1 1 21 21 ASN N N 15 115.256 0.30 . . . . . A 20 ASN N . 19403 1 219 . 1 1 22 22 ILE H H 1 8.120 0.02 . . . . . A 21 ILE H . 19403 1 220 . 1 1 22 22 ILE HA H 1 4.280 0.02 . . . . . A 21 ILE HA . 19403 1 221 . 1 1 22 22 ILE HB H 1 1.700 0.02 . . . . . A 21 ILE HB . 19403 1 222 . 1 1 22 22 ILE HG12 H 1 1.100 0.02 . . . . . A 21 ILE HG12 . 19403 1 223 . 1 1 22 22 ILE HG13 H 1 1.250 0.02 . . . . . A 21 ILE HG13 . 19403 1 224 . 1 1 22 22 ILE HG21 H 1 0.770 0.02 . . . . . A 21 ILE HG21 . 19403 1 225 . 1 1 22 22 ILE HG22 H 1 0.770 0.02 . . . . . A 21 ILE HG22 . 19403 1 226 . 1 1 22 22 ILE HG23 H 1 0.770 0.02 . . . . . A 21 ILE HG23 . 19403 1 227 . 1 1 22 22 ILE HD11 H 1 0.620 0.02 . . . . . A 21 ILE HD11 . 19403 1 228 . 1 1 22 22 ILE HD12 H 1 0.620 0.02 . . . . . A 21 ILE HD12 . 19403 1 229 . 1 1 22 22 ILE HD13 H 1 0.620 0.02 . . . . . A 21 ILE HD13 . 19403 1 230 . 1 1 22 22 ILE C C 13 179.210 0.30 . . . . . A 21 ILE C . 19403 1 231 . 1 1 22 22 ILE CA C 13 62.390 0.30 . . . . . A 21 ILE CA . 19403 1 232 . 1 1 22 22 ILE CB C 13 38.790 0.30 . . . . . A 21 ILE CB . 19403 1 233 . 1 1 22 22 ILE N N 15 118.350 0.30 . . . . . A 21 ILE N . 19403 1 234 . 1 1 23 23 THR H H 1 8.250 0.02 . . . . . A 22 THR H . 19403 1 235 . 1 1 23 23 THR HA H 1 4.760 0.20 . . . . . A 22 THR HA . 19403 1 236 . 1 1 23 23 THR HB H 1 4.230 0.02 . . . . . A 22 THR HB . 19403 1 237 . 1 1 23 23 THR HG21 H 1 1.140 0.02 . . . . . A 22 THR HG21 . 19403 1 238 . 1 1 23 23 THR HG22 H 1 1.140 0.02 . . . . . A 22 THR HG22 . 19403 1 239 . 1 1 23 23 THR HG23 H 1 1.140 0.02 . . . . . A 22 THR HG23 . 19403 1 240 . 1 1 23 23 THR C C 13 176.840 0.30 . . . . . A 22 THR C . 19403 1 241 . 1 1 23 23 THR CA C 13 62.660 0.30 . . . . . A 22 THR CA . 19403 1 242 . 1 1 23 23 THR CB C 13 67.950 0.30 . . . . . A 22 THR CB . 19403 1 243 . 1 1 23 23 THR N N 15 107.130 0.30 . . . . . A 22 THR N . 19403 1 244 . 1 1 24 24 ASP H H 1 7.940 0.02 . . . . . A 23 ASP H . 19403 1 245 . 1 1 24 24 ASP HA H 1 4.380 0.02 . . . . . A 23 ASP HA . 19403 1 246 . 1 1 24 24 ASP HB2 H 1 2.550 0.02 . . . . . A 23 ASP HB2 . 19403 1 247 . 1 1 24 24 ASP HB3 H 1 2.650 0.02 . . . . . A 23 ASP HB3 . 19403 1 248 . 1 1 24 24 ASP C C 13 178.530 0.30 . . . . . A 23 ASP C . 19403 1 249 . 1 1 24 24 ASP CA C 13 54.940 0.30 . . . . . A 23 ASP CA . 19403 1 250 . 1 1 24 24 ASP CB C 13 39.310 0.30 . . . . . A 23 ASP CB . 19403 1 251 . 1 1 24 24 ASP N N 15 119.900 0.30 . . . . . A 23 ASP N . 19403 1 252 . 1 1 25 25 ASN H H 1 7.230 0.02 . . . . . A 24 ASN H . 19403 1 253 . 1 1 25 25 ASN HA H 1 4.810 0.02 . . . . . A 24 ASN HA . 19403 1 254 . 1 1 25 25 ASN HB2 H 1 2.720 0.02 . . . . . A 24 ASN HB2 . 19403 1 255 . 1 1 25 25 ASN HB3 H 1 2.940 0.02 . . . . . A 24 ASN HB3 . 19403 1 256 . 1 1 25 25 ASN C C 13 176.490 0.30 . . . . . A 24 ASN C . 19403 1 257 . 1 1 25 25 ASN CA C 13 49.900 0.30 . . . . . A 24 ASN CA . 19403 1 258 . 1 1 25 25 ASN CB C 13 39.230 0.30 . . . . . A 24 ASN CB . 19403 1 259 . 1 1 25 25 ASN N N 15 119.320 0.30 . . . . . A 24 ASN N . 19403 1 260 . 1 1 26 26 PRO HA H 1 4.500 0.02 . . . . . A 25 PRO HA . 19403 1 261 . 1 1 26 26 PRO HB2 H 1 2.190 0.02 . . . . . A 25 PRO HB2 . 19403 1 262 . 1 1 26 26 PRO HB3 H 1 1.630 0.02 . . . . . A 25 PRO HB3 . 19403 1 263 . 1 1 26 26 PRO HG2 H 1 1.820 0.02 . . . . . A 25 PRO HG2 . 19403 1 264 . 1 1 26 26 PRO HG3 H 1 1.820 0.02 . . . . . A 25 PRO HG3 . 19403 1 265 . 1 1 26 26 PRO HD2 H 1 3.850 0.02 . . . . . A 25 PRO HD2 . 19403 1 266 . 1 1 26 26 PRO HD3 H 1 3.850 0.02 . . . . . A 25 PRO HD3 . 19403 1 267 . 1 1 26 26 PRO C C 13 179.560 0.30 . . . . . A 25 PRO C . 19403 1 268 . 1 1 26 26 PRO CA C 13 63.530 0.30 . . . . . A 25 PRO CA . 19403 1 269 . 1 1 26 26 PRO CB C 13 32.290 0.30 . . . . . A 25 PRO CB . 19403 1 270 . 1 1 27 27 CYS H H 1 8.380 0.02 . . . . . A 26 CYS H . 19403 1 271 . 1 1 27 27 CYS HA H 1 4.550 0.02 . . . . . A 26 CYS HA . 19403 1 272 . 1 1 27 27 CYS HB2 H 1 3.500 0.02 . . . . . A 26 CYS HB2 . 19403 1 273 . 1 1 27 27 CYS HB3 H 1 2.770 0.02 . . . . . A 26 CYS HB3 . 19403 1 274 . 1 1 27 27 CYS C C 13 175.810 0.30 . . . . . A 26 CYS C . 19403 1 275 . 1 1 27 27 CYS CA C 13 54.760 0.30 . . . . . A 26 CYS CA . 19403 1 276 . 1 1 27 27 CYS CB C 13 42.090 0.30 . . . . . A 26 CYS CB . 19403 1 277 . 1 1 27 27 CYS N N 15 114.680 0.30 . . . . . A 26 CYS N . 19403 1 278 . 1 1 28 28 ILE H H 1 7.990 0.02 . . . . . A 27 ILE H . 19403 1 279 . 1 1 28 28 ILE HA H 1 4.790 0.02 . . . . . A 27 ILE HA . 19403 1 280 . 1 1 28 28 ILE HB H 1 1.840 0.02 . . . . . A 27 ILE HB . 19403 1 281 . 1 1 28 28 ILE HG12 H 1 1.380 0.02 . . . . . A 27 ILE HG12 . 19403 1 282 . 1 1 28 28 ILE HG13 H 1 1.380 0.02 . . . . . A 27 ILE HG13 . 19403 1 283 . 1 1 28 28 ILE HG21 H 1 0.570 0.02 . . . . . A 27 ILE HG21 . 19403 1 284 . 1 1 28 28 ILE HG22 H 1 0.570 0.02 . . . . . A 27 ILE HG22 . 19403 1 285 . 1 1 28 28 ILE HG23 H 1 0.570 0.02 . . . . . A 27 ILE HG23 . 19403 1 286 . 1 1 28 28 ILE HD11 H 1 0.570 0.02 . . . . . A 27 ILE HD11 . 19403 1 287 . 1 1 28 28 ILE HD12 H 1 0.570 0.02 . . . . . A 27 ILE HD12 . 19403 1 288 . 1 1 28 28 ILE HD13 H 1 0.570 0.02 . . . . . A 27 ILE HD13 . 19403 1 289 . 1 1 28 28 ILE C C 13 176.240 0.30 . . . . . A 27 ILE C . 19403 1 290 . 1 1 28 28 ILE CA C 13 59.710 0.30 . . . . . A 27 ILE CA . 19403 1 291 . 1 1 28 28 ILE CB C 13 38.360 0.30 . . . . . A 27 ILE CB . 19403 1 292 . 1 1 28 28 ILE N N 15 121.450 0.30 . . . . . A 27 ILE N . 19403 1 293 . 1 1 29 29 SER H H 1 8.300 0.02 . . . . . A 28 SER H . 19403 1 294 . 1 1 29 29 SER HA H 1 4.780 0.02 . . . . . A 28 SER HA . 19403 1 295 . 1 1 29 29 SER HB2 H 1 3.740 0.02 . . . . . A 28 SER HB2 . 19403 1 296 . 1 1 29 29 SER HB3 H 1 3.780 0.02 . . . . . A 28 SER HB3 . 19403 1 297 . 1 1 29 29 SER C C 13 175.920 0.30 . . . . . A 28 SER C . 19403 1 298 . 1 1 29 29 SER CA C 13 56.240 0.30 . . . . . A 28 SER CA . 19403 1 299 . 1 1 29 29 SER CB C 13 65.520 0.30 . . . . . A 28 SER CB . 19403 1 300 . 1 1 29 29 SER N N 15 119.510 0.30 . . . . . A 28 SER N . 19403 1 301 . 1 1 30 30 CYS H H 1 9.400 0.02 . . . . . A 29 CYS H . 19403 1 302 . 1 1 30 30 CYS HA H 1 5.600 0.02 . . . . . A 29 CYS HA . 19403 1 303 . 1 1 30 30 CYS HB2 H 1 2.920 0.02 . . . . . A 29 CYS HB2 . 19403 1 304 . 1 1 30 30 CYS HB3 H 1 2.300 0.02 . . . . . A 29 CYS HB3 . 19403 1 305 . 1 1 30 30 CYS C C 13 174.960 0.30 . . . . . A 29 CYS C . 19403 1 306 . 1 1 30 30 CYS CA C 13 55.020 0.30 . . . . . A 29 CYS CA . 19403 1 307 . 1 1 30 30 CYS CB C 13 49.730 0.30 . . . . . A 29 CYS CB . 19403 1 308 . 1 1 30 30 CYS N N 15 121.260 0.30 . . . . . A 29 CYS N . 19403 1 309 . 1 1 31 31 VAL H H 1 8.780 0.02 . . . . . A 30 VAL H . 19403 1 310 . 1 1 31 31 VAL HA H 1 4.920 0.02 . . . . . A 30 VAL HA . 19403 1 311 . 1 1 31 31 VAL HB H 1 1.720 0.02 . . . . . A 30 VAL HB . 19403 1 312 . 1 1 31 31 VAL HG11 H 1 0.810 0.02 . . . . . A 30 VAL HG11 . 19403 1 313 . 1 1 31 31 VAL HG12 H 1 0.810 0.02 . . . . . A 30 VAL HG12 . 19403 1 314 . 1 1 31 31 VAL HG13 H 1 0.810 0.02 . . . . . A 30 VAL HG13 . 19403 1 315 . 1 1 31 31 VAL HG21 H 1 0.760 0.02 . . . . . A 30 VAL HG21 . 19403 1 316 . 1 1 31 31 VAL HG22 H 1 0.760 0.02 . . . . . A 30 VAL HG22 . 19403 1 317 . 1 1 31 31 VAL HG23 H 1 0.760 0.02 . . . . . A 30 VAL HG23 . 19403 1 318 . 1 1 31 31 VAL C C 13 175.780 0.30 . . . . . A 30 VAL C . 19403 1 319 . 1 1 31 31 VAL CA C 13 58.750 0.30 . . . . . A 30 VAL CA . 19403 1 320 . 1 1 31 31 VAL CB C 13 35.930 0.30 . . . . . A 30 VAL CB . 19403 1 321 . 1 1 31 31 VAL N N 15 120.670 0.30 . . . . . A 30 VAL N . 19403 1 322 . 1 1 32 32 CYS H H 1 8.300 0.02 . . . . . A 31 CYS H . 19403 1 323 . 1 1 32 32 CYS HA H 1 4.660 0.02 . . . . . A 31 CYS HA . 19403 1 324 . 1 1 32 32 CYS HB2 H 1 3.420 0.02 . . . . . A 31 CYS HB2 . 19403 1 325 . 1 1 32 32 CYS HB3 H 1 2.600 0.02 . . . . . A 31 CYS HB3 . 19403 1 326 . 1 1 32 32 CYS C C 13 175.600 0.30 . . . . . A 31 CYS C . 19403 1 327 . 1 1 32 32 CYS CA C 13 55.110 0.30 . . . . . A 31 CYS CA . 19403 1 328 . 1 1 32 32 CYS CB C 13 41.380 0.30 . . . . . A 31 CYS CB . 19403 1 329 . 1 1 32 32 CYS N N 15 123.190 0.30 . . . . . A 31 CYS N . 19403 1 330 . 1 1 33 33 LEU H H 1 9.170 0.02 . . . . . A 32 LEU H . 19403 1 331 . 1 1 33 33 LEU HA H 1 4.810 0.02 . . . . . A 32 LEU HA . 19403 1 332 . 1 1 33 33 LEU HB2 H 1 1.310 0.02 . . . . . A 32 LEU HB2 . 19403 1 333 . 1 1 33 33 LEU HB3 H 1 1.560 0.02 . . . . . A 32 LEU HB3 . 19403 1 334 . 1 1 33 33 LEU HG H 1 1.340 0.02 . . . . . A 32 LEU HG . 19403 1 335 . 1 1 33 33 LEU HD11 H 1 0.820 0.02 . . . . . A 32 LEU HD11 . 19403 1 336 . 1 1 33 33 LEU HD12 H 1 0.820 0.02 . . . . . A 32 LEU HD12 . 19403 1 337 . 1 1 33 33 LEU HD13 H 1 0.820 0.02 . . . . . A 32 LEU HD13 . 19403 1 338 . 1 1 33 33 LEU HD21 H 1 0.820 0.02 . . . . . A 32 LEU HD21 . 19403 1 339 . 1 1 33 33 LEU HD22 H 1 0.820 0.02 . . . . . A 32 LEU HD22 . 19403 1 340 . 1 1 33 33 LEU HD23 H 1 0.820 0.02 . . . . . A 32 LEU HD23 . 19403 1 341 . 1 1 33 33 LEU C C 13 178.770 0.30 . . . . . A 32 LEU C . 19403 1 342 . 1 1 33 33 LEU CA C 13 53.810 0.30 . . . . . A 32 LEU CA . 19403 1 343 . 1 1 33 33 LEU CB C 13 44.690 0.30 . . . . . A 32 LEU CB . 19403 1 344 . 1 1 33 33 LEU N N 15 133.450 0.30 . . . . . A 32 LEU N . 19403 1 345 . 1 1 34 34 ASN H H 1 11.750 0.02 . . . . . A 33 ASN H . 19403 1 346 . 1 1 34 34 ASN HA H 1 4.190 0.02 . . . . . A 33 ASN HA . 19403 1 347 . 1 1 34 34 ASN HB2 H 1 2.690 0.02 . . . . . A 33 ASN HB2 . 19403 1 348 . 1 1 34 34 ASN HB3 H 1 2.880 0.02 . . . . . A 33 ASN HB3 . 19403 1 349 . 1 1 34 34 ASN C C 13 177.740 0.30 . . . . . A 33 ASN C . 19403 1 350 . 1 1 34 34 ASN CA C 13 53.890 0.30 . . . . . A 33 ASN CA . 19403 1 351 . 1 1 34 34 ASN CB C 13 36.880 0.30 . . . . . A 33 ASN CB . 19403 1 352 . 1 1 34 34 ASN N N 15 131.310 0.30 . . . . . A 33 ASN N . 19403 1 353 . 1 1 35 35 GLN H H 1 8.830 0.03 . . . . . A 34 GLN H . 19403 1 354 . 1 1 35 35 GLN HA H 1 3.760 0.02 . . . . . A 34 GLN HA . 19403 1 355 . 1 1 35 35 GLN HB2 H 1 2.300 0.02 . . . . . A 34 GLN HB2 . 19403 1 356 . 1 1 35 35 GLN HB3 H 1 2.740 0.02 . . . . . A 34 GLN HB3 . 19403 1 357 . 1 1 35 35 GLN HG2 H 1 2.240 0.02 . . . . . A 34 GLN HG2 . 19403 1 358 . 1 1 35 35 GLN HG3 H 1 2.240 0.02 . . . . . A 34 GLN HG3 . 19403 1 359 . 1 1 35 35 GLN C C 13 177.610 0.30 . . . . . A 34 GLN C . 19403 1 360 . 1 1 35 35 GLN CA C 13 58.070 0.30 . . . . . A 34 GLN CA . 19403 1 361 . 1 1 35 35 GLN CB C 13 26.320 0.30 . . . . . A 34 GLN CB . 19403 1 362 . 1 1 35 35 GLN N N 15 106.930 0.30 . . . . . A 34 GLN N . 19403 1 363 . 1 1 36 36 LYS H H 1 7.740 0.02 . . . . . A 35 LYS H . 19403 1 364 . 1 1 36 36 LYS HA H 1 4.900 0.02 . . . . . A 35 LYS HA . 19403 1 365 . 1 1 36 36 LYS HB2 H 1 1.700 0.02 . . . . . A 35 LYS HB2 . 19403 1 366 . 1 1 36 36 LYS HB3 H 1 1.700 0.02 . . . . . A 35 LYS HB3 . 19403 1 367 . 1 1 36 36 LYS HG2 H 1 1.640 0.02 . . . . . A 35 LYS HG2 . 19403 1 368 . 1 1 36 36 LYS HG3 H 1 1.640 0.02 . . . . . A 35 LYS HG3 . 19403 1 369 . 1 1 36 36 LYS HD2 H 1 1.370 0.02 . . . . . A 35 LYS HD2 . 19403 1 370 . 1 1 36 36 LYS HD3 H 1 1.370 0.02 . . . . . A 35 LYS HD3 . 19403 1 371 . 1 1 36 36 LYS C C 13 177.100 0.30 . . . . . A 35 LYS C . 19403 1 372 . 1 1 36 36 LYS CA C 13 54.120 0.30 . . . . . A 35 LYS CA . 19403 1 373 . 1 1 36 36 LYS CB C 13 35.840 0.30 . . . . . A 35 LYS CB . 19403 1 374 . 1 1 36 36 LYS N N 15 120.290 0.30 . . . . . A 35 LYS N . 19403 1 375 . 1 1 37 37 ALA H H 1 8.250 0.02 . . . . . A 36 ALA H . 19403 1 376 . 1 1 37 37 ALA HA H 1 4.160 0.02 . . . . . A 36 ALA HA . 19403 1 377 . 1 1 37 37 ALA HB1 H 1 1.060 0.02 . . . . . A 36 ALA HB1 . 19403 1 378 . 1 1 37 37 ALA HB2 H 1 1.060 0.02 . . . . . A 36 ALA HB2 . 19403 1 379 . 1 1 37 37 ALA HB3 H 1 1.060 0.02 . . . . . A 36 ALA HB3 . 19403 1 380 . 1 1 37 37 ALA C C 13 178.910 0.30 . . . . . A 36 ALA C . 19403 1 381 . 1 1 37 37 ALA CA C 13 52.150 0.30 . . . . . A 36 ALA CA . 19403 1 382 . 1 1 37 37 ALA CB C 13 19.200 0.30 . . . . . A 36 ALA CB . 19403 1 383 . 1 1 37 37 ALA N N 15 122.800 0.30 . . . . . A 36 ALA N . 19403 1 384 . 1 1 38 38 GLU H H 1 9.130 0.02 . . . . . A 37 GLU H . 19403 1 385 . 1 1 38 38 GLU HA H 1 4.700 0.02 . . . . . A 37 GLU HA . 19403 1 386 . 1 1 38 38 GLU HB2 H 1 1.830 0.02 . . . . . A 37 GLU HB2 . 19403 1 387 . 1 1 38 38 GLU HB3 H 1 1.990 0.02 . . . . . A 37 GLU HB3 . 19403 1 388 . 1 1 38 38 GLU HG2 H 1 2.090 0.02 . . . . . A 37 GLU HG2 . 19403 1 389 . 1 1 38 38 GLU HG3 H 1 2.090 0.02 . . . . . A 37 GLU HG3 . 19403 1 390 . 1 1 38 38 GLU C C 13 178.730 0.30 . . . . . A 37 GLU C . 19403 1 391 . 1 1 38 38 GLU CA C 13 55.120 0.30 . . . . . A 37 GLU CA . 19403 1 392 . 1 1 38 38 GLU CB C 13 30.690 0.30 . . . . . A 37 GLU CB . 19403 1 393 . 1 1 38 38 GLU N N 15 126.480 0.30 . . . . . A 37 GLU N . 19403 1 394 . 1 1 39 39 CYS H H 1 9.080 0.02 . . . . . A 38 CYS H . 19403 1 395 . 1 1 39 39 CYS HA H 1 5.710 0.02 . . . . . A 38 CYS HA . 19403 1 396 . 1 1 39 39 CYS HB2 H 1 2.680 0.02 . . . . . A 38 CYS HB2 . 19403 1 397 . 1 1 39 39 CYS HB3 H 1 2.410 0.02 . . . . . A 38 CYS HB3 . 19403 1 398 . 1 1 39 39 CYS C C 13 175.220 0.30 . . . . . A 38 CYS C . 19403 1 399 . 1 1 39 39 CYS CA C 13 54.980 0.30 . . . . . A 38 CYS CA . 19403 1 400 . 1 1 39 39 CYS CB C 13 47.000 0.30 . . . . . A 38 CYS CB . 19403 1 401 . 1 1 39 39 CYS N N 15 126.290 0.30 . . . . . A 38 CYS N . 19403 1 402 . 1 1 40 40 LYS H H 1 9.040 0.02 . . . . . A 39 LYS H . 19403 1 403 . 1 1 40 40 LYS HA H 1 4.670 0.02 . . . . . A 39 LYS HA . 19403 1 404 . 1 1 40 40 LYS HB2 H 1 1.650 0.02 . . . . . A 39 LYS HB2 . 19403 1 405 . 1 1 40 40 LYS HB3 H 1 1.690 0.02 . . . . . A 39 LYS HB3 . 19403 1 406 . 1 1 40 40 LYS HG2 H 1 1.480 0.02 . . . . . A 39 LYS HG2 . 19403 1 407 . 1 1 40 40 LYS HG3 H 1 1.480 0.02 . . . . . A 39 LYS HG3 . 19403 1 408 . 1 1 40 40 LYS HD2 H 1 1.260 0.02 . . . . . A 39 LYS HD2 . 19403 1 409 . 1 1 40 40 LYS HD3 H 1 1.260 0.02 . . . . . A 39 LYS HD3 . 19403 1 410 . 1 1 40 40 LYS C C 13 176.480 0.30 . . . . . A 39 LYS C . 19403 1 411 . 1 1 40 40 LYS CA C 13 54.550 0.30 . . . . . A 39 LYS CA . 19403 1 412 . 1 1 40 40 LYS CB C 13 36.020 0.30 . . . . . A 39 LYS CB . 19403 1 413 . 1 1 40 40 LYS N N 15 120.670 0.30 . . . . . A 39 LYS N . 19403 1 414 . 1 1 41 41 GLN H H 1 8.650 0.02 . . . . . A 40 GLN H . 19403 1 415 . 1 1 41 41 GLN HA H 1 4.980 0.02 . . . . . A 40 GLN HA . 19403 1 416 . 1 1 41 41 GLN HB2 H 1 1.750 0.02 . . . . . A 40 GLN HB2 . 19403 1 417 . 1 1 41 41 GLN HB3 H 1 1.880 0.02 . . . . . A 40 GLN HB3 . 19403 1 418 . 1 1 41 41 GLN HG2 H 1 2.010 0.02 . . . . . A 40 GLN HG2 . 19403 1 419 . 1 1 41 41 GLN HG3 H 1 2.160 0.02 . . . . . A 40 GLN HG3 . 19403 1 420 . 1 1 41 41 GLN C C 13 177.600 0.30 . . . . . A 40 GLN C . 19403 1 421 . 1 1 41 41 GLN CA C 13 53.480 0.30 . . . . . A 40 GLN CA . 19403 1 422 . 1 1 41 41 GLN CB C 13 30.400 0.30 . . . . . A 40 GLN CB . 19403 1 423 . 1 1 41 41 GLN N N 15 122.800 0.30 . . . . . A 40 GLN N . 19403 1 424 . 1 1 42 42 GLU H H 1 9.010 0.02 . . . . . A 41 GLU H . 19403 1 425 . 1 1 42 42 GLU HA H 1 4.070 0.02 . . . . . A 41 GLU HA . 19403 1 426 . 1 1 42 42 GLU HB2 H 1 1.990 0.02 . . . . . A 41 GLU HB2 . 19403 1 427 . 1 1 42 42 GLU HB3 H 1 2.120 0.02 . . . . . A 41 GLU HB3 . 19403 1 428 . 1 1 42 42 GLU C C 13 176.940 0.30 . . . . . A 41 GLU C . 19403 1 429 . 1 1 42 42 GLU CA C 13 56.610 0.30 . . . . . A 41 GLU CA . 19403 1 430 . 1 1 42 42 GLU CB C 13 30.520 0.30 . . . . . A 41 GLU CB . 19403 1 431 . 1 1 42 42 GLU N N 15 129.770 0.30 . . . . . A 41 GLU N . 19403 1 432 . 1 1 43 43 LYS H H 1 8.480 0.02 . . . . . A 42 LYS H . 19403 1 433 . 1 1 43 43 LYS HA H 1 4.420 0.02 . . . . . A 42 LYS HA . 19403 1 434 . 1 1 43 43 LYS HB2 H 1 1.640 0.02 . . . . . A 42 LYS HB2 . 19403 1 435 . 1 1 43 43 LYS HB3 H 1 1.730 0.02 . . . . . A 42 LYS HB3 . 19403 1 436 . 1 1 43 43 LYS HG2 H 1 1.570 0.02 . . . . . A 42 LYS HG2 . 19403 1 437 . 1 1 43 43 LYS HG3 H 1 1.570 0.02 . . . . . A 42 LYS HG3 . 19403 1 438 . 1 1 43 43 LYS HD2 H 1 1.320 0.02 . . . . . A 42 LYS HD2 . 19403 1 439 . 1 1 43 43 LYS HD3 H 1 1.320 0.02 . . . . . A 42 LYS HD3 . 19403 1 440 . 1 1 43 43 LYS C C 13 178.530 0.30 . . . . . A 42 LYS C . 19403 1 441 . 1 1 43 43 LYS CA C 13 54.550 0.30 . . . . . A 42 LYS CA . 19403 1 442 . 1 1 43 43 LYS CB C 13 33.910 0.30 . . . . . A 42 LYS CB . 19403 1 443 . 1 1 43 43 LYS N N 15 125.510 0.30 . . . . . A 42 LYS N . 19403 1 444 . 1 1 44 44 CYS H H 1 8.700 0.02 . . . . . A 43 CYS H . 19403 1 445 . 1 1 44 44 CYS HA H 1 4.560 0.02 . . . . . A 43 CYS HA . 19403 1 446 . 1 1 44 44 CYS HB2 H 1 3.240 0.02 . . . . . A 43 CYS HB2 . 19403 1 447 . 1 1 44 44 CYS HB3 H 1 2.560 0.02 . . . . . A 43 CYS HB3 . 19403 1 448 . 1 1 44 44 CYS C C 13 176.990 0.30 . . . . . A 43 CYS C . 19403 1 449 . 1 1 44 44 CYS CA C 13 53.090 0.30 . . . . . A 43 CYS CA . 19403 1 450 . 1 1 44 44 CYS CB C 13 37.900 0.30 . . . . . A 43 CYS CB . 19403 1 451 . 1 1 44 44 CYS N N 15 123.770 0.30 . . . . . A 43 CYS N . 19403 1 452 . 1 1 45 45 ALA H H 1 8.780 0.02 . . . . . A 44 ALA H . 19403 1 453 . 1 1 45 45 ALA HA H 1 4.560 0.02 . . . . . A 44 ALA HA . 19403 1 454 . 1 1 45 45 ALA HB1 H 1 1.360 0.02 . . . . . A 44 ALA HB1 . 19403 1 455 . 1 1 45 45 ALA HB2 H 1 1.360 0.02 . . . . . A 44 ALA HB2 . 19403 1 456 . 1 1 45 45 ALA HB3 H 1 1.360 0.02 . . . . . A 44 ALA HB3 . 19403 1 457 . 1 1 45 45 ALA C C 13 177.700 0.30 . . . . . A 44 ALA C . 19403 1 458 . 1 1 45 45 ALA CA C 13 50.000 0.30 . . . . . A 44 ALA CA . 19403 1 459 . 1 1 45 45 ALA CB C 13 17.390 0.30 . . . . . A 44 ALA CB . 19403 1 460 . 1 1 45 45 ALA N N 15 128.990 0.30 . . . . . A 44 ALA N . 19403 1 461 . 1 1 46 46 PRO HA H 1 4.310 0.02 . . . . . A 45 PRO HA . 19403 1 462 . 1 1 46 46 PRO HB2 H 1 2.220 0.02 . . . . . A 45 PRO HB2 . 19403 1 463 . 1 1 46 46 PRO HB3 H 1 1.780 0.02 . . . . . A 45 PRO HB3 . 19403 1 464 . 1 1 46 46 PRO HG2 H 1 1.970 0.02 . . . . . A 45 PRO HG2 . 19403 1 465 . 1 1 46 46 PRO HG3 H 1 1.970 0.02 . . . . . A 45 PRO HG3 . 19403 1 466 . 1 1 46 46 PRO HD2 H 1 3.570 0.02 . . . . . A 45 PRO HD2 . 19403 1 467 . 1 1 46 46 PRO HD3 H 1 3.760 0.02 . . . . . A 45 PRO HD3 . 19403 1 468 . 1 1 46 46 PRO C C 13 179.070 0.30 . . . . . A 45 PRO C . 19403 1 469 . 1 1 46 46 PRO CA C 13 62.570 0.30 . . . . . A 45 PRO CA . 19403 1 470 . 1 1 46 46 PRO CB C 13 31.850 0.30 . . . . . A 45 PRO CB . 19403 1 471 . 1 1 47 47 LEU H H 1 8.480 0.02 . . . . . A 46 LEU H . 19403 1 472 . 1 1 47 47 LEU HA H 1 4.250 0.02 . . . . . A 46 LEU HA . 19403 1 473 . 1 1 47 47 LEU HB2 H 1 1.390 0.02 . . . . . A 46 LEU HB2 . 19403 1 474 . 1 1 47 47 LEU HB3 H 1 1.590 0.02 . . . . . A 46 LEU HB3 . 19403 1 475 . 1 1 47 47 LEU HG H 1 1.660 0.02 . . . . . A 46 LEU HG . 19403 1 476 . 1 1 47 47 LEU HD11 H 1 0.780 0.02 . . . . . A 46 LEU HD11 . 19403 1 477 . 1 1 47 47 LEU HD12 H 1 0.780 0.02 . . . . . A 46 LEU HD12 . 19403 1 478 . 1 1 47 47 LEU HD13 H 1 0.780 0.02 . . . . . A 46 LEU HD13 . 19403 1 479 . 1 1 47 47 LEU HD21 H 1 0.780 0.02 . . . . . A 46 LEU HD21 . 19403 1 480 . 1 1 47 47 LEU HD22 H 1 0.780 0.02 . . . . . A 46 LEU HD22 . 19403 1 481 . 1 1 47 47 LEU HD23 H 1 0.780 0.02 . . . . . A 46 LEU HD23 . 19403 1 482 . 1 1 47 47 LEU C C 13 179.490 0.30 . . . . . A 46 LEU C . 19403 1 483 . 1 1 47 47 LEU CA C 13 53.720 0.30 . . . . . A 46 LEU CA . 19403 1 484 . 1 1 47 47 LEU CB C 13 42.350 0.30 . . . . . A 46 LEU CB . 19403 1 485 . 1 1 47 47 LEU N N 15 123.190 0.30 . . . . . A 46 LEU N . 19403 1 486 . 1 1 48 48 ALA H H 1 8.430 0.02 . . . . . A 47 ALA H . 19403 1 487 . 1 1 48 48 ALA HA H 1 4.130 0.02 . . . . . A 47 ALA HA . 19403 1 488 . 1 1 48 48 ALA HB1 H 1 1.350 0.02 . . . . . A 47 ALA HB1 . 19403 1 489 . 1 1 48 48 ALA HB2 H 1 1.350 0.02 . . . . . A 47 ALA HB2 . 19403 1 490 . 1 1 48 48 ALA HB3 H 1 1.350 0.02 . . . . . A 47 ALA HB3 . 19403 1 491 . 1 1 48 48 ALA C C 13 181.090 0.30 . . . . . A 47 ALA C . 19403 1 492 . 1 1 48 48 ALA CA C 13 52.240 0.30 . . . . . A 47 ALA CA . 19403 1 493 . 1 1 48 48 ALA CB C 13 19.180 0.30 . . . . . A 47 ALA CB . 19403 1 494 . 1 1 48 48 ALA N N 15 124.930 0.30 . . . . . A 47 ALA N . 19403 1 495 . 1 1 49 49 GLU H H 1 8.740 0.02 . . . . . A 48 GLU H . 19403 1 496 . 1 1 49 49 GLU HA H 1 3.950 0.02 . . . . . A 48 GLU HA . 19403 1 497 . 1 1 49 49 GLU HB2 H 1 1.930 0.02 . . . . . A 48 GLU HB2 . 19403 1 498 . 1 1 49 49 GLU HB3 H 1 1.930 0.02 . . . . . A 48 GLU HB3 . 19403 1 499 . 1 1 49 49 GLU HG2 H 1 2.220 0.02 . . . . . A 48 GLU HG2 . 19403 1 500 . 1 1 49 49 GLU HG3 H 1 2.220 0.02 . . . . . A 48 GLU HG3 . 19403 1 501 . 1 1 49 49 GLU C C 13 178.590 0.30 . . . . . A 48 GLU C . 19403 1 502 . 1 1 49 49 GLU CA C 13 58.150 0.30 . . . . . A 48 GLU CA . 19403 1 503 . 1 1 49 49 GLU CB C 13 29.340 0.30 . . . . . A 48 GLU CB . 19403 1 504 . 1 1 49 49 GLU N N 15 121.250 0.30 . . . . . A 48 GLU N . 19403 1 505 . 1 1 50 50 ASP H H 1 8.170 0.02 . . . . . A 49 ASP H . 19403 1 506 . 1 1 50 50 ASP HA H 1 4.450 0.02 . . . . . A 49 ASP HA . 19403 1 507 . 1 1 50 50 ASP HB2 H 1 2.500 0.02 . . . . . A 49 ASP HB2 . 19403 1 508 . 1 1 50 50 ASP HB3 H 1 2.720 0.02 . . . . . A 49 ASP HB3 . 19403 1 509 . 1 1 50 50 ASP C C 13 178.090 0.30 . . . . . A 49 ASP C . 19403 1 510 . 1 1 50 50 ASP CA C 13 52.760 0.30 . . . . . A 49 ASP CA . 19403 1 511 . 1 1 50 50 ASP CB C 13 39.400 0.30 . . . . . A 49 ASP CB . 19403 1 512 . 1 1 50 50 ASP N N 15 115.640 0.30 . . . . . A 49 ASP N . 19403 1 513 . 1 1 51 51 CYS H H 1 7.420 0.02 . . . . . A 50 CYS H . 19403 1 514 . 1 1 51 51 CYS HA H 1 4.280 0.02 . . . . . A 50 CYS HA . 19403 1 515 . 1 1 51 51 CYS HB2 H 1 3.110 0.02 . . . . . A 50 CYS HB2 . 19403 1 516 . 1 1 51 51 CYS HB3 H 1 2.960 0.02 . . . . . A 50 CYS HB3 . 19403 1 517 . 1 1 51 51 CYS C C 13 177.290 0.30 . . . . . A 50 CYS C . 19403 1 518 . 1 1 51 51 CYS CA C 13 57.620 0.30 . . . . . A 50 CYS CA . 19403 1 519 . 1 1 51 51 CYS CB C 13 42.000 0.30 . . . . . A 50 CYS CB . 19403 1 520 . 1 1 51 51 CYS N N 15 118.930 0.30 . . . . . A 50 CYS N . 19403 1 521 . 1 1 52 52 ALA H H 1 9.040 0.02 . . . . . A 51 ALA H . 19403 1 522 . 1 1 52 52 ALA HA H 1 4.190 0.02 . . . . . A 51 ALA HA . 19403 1 523 . 1 1 52 52 ALA HB1 H 1 1.360 0.02 . . . . . A 51 ALA HB1 . 19403 1 524 . 1 1 52 52 ALA HB2 H 1 1.360 0.02 . . . . . A 51 ALA HB2 . 19403 1 525 . 1 1 52 52 ALA HB3 H 1 1.360 0.02 . . . . . A 51 ALA HB3 . 19403 1 526 . 1 1 52 52 ALA CA C 13 53.460 0.30 . . . . . A 51 ALA CA . 19403 1 527 . 1 1 52 52 ALA CB C 13 19.180 0.30 . . . . . A 51 ALA CB . 19403 1 528 . 1 1 52 52 ALA N N 15 131.890 0.30 . . . . . A 51 ALA N . 19403 1 529 . 1 1 53 53 LEU H H 1 7.680 0.02 . . . . . A 52 LEU H . 19403 1 530 . 1 1 53 53 LEU HA H 1 4.400 0.02 . . . . . A 52 LEU HA . 19403 1 531 . 1 1 53 53 LEU HB2 H 1 1.380 0.02 . . . . . A 52 LEU HB2 . 19403 1 532 . 1 1 53 53 LEU HB3 H 1 1.440 0.02 . . . . . A 52 LEU HB3 . 19403 1 533 . 1 1 53 53 LEU HG H 1 1.540 0.02 . . . . . A 52 LEU HG . 19403 1 534 . 1 1 53 53 LEU HD11 H 1 0.860 0.02 . . . . . A 52 LEU HD11 . 19403 1 535 . 1 1 53 53 LEU HD12 H 1 0.860 0.02 . . . . . A 52 LEU HD12 . 19403 1 536 . 1 1 53 53 LEU HD13 H 1 0.860 0.02 . . . . . A 52 LEU HD13 . 19403 1 537 . 1 1 53 53 LEU HD21 H 1 0.780 0.02 . . . . . A 52 LEU HD21 . 19403 1 538 . 1 1 53 53 LEU HD22 H 1 0.780 0.02 . . . . . A 52 LEU HD22 . 19403 1 539 . 1 1 53 53 LEU HD23 H 1 0.780 0.02 . . . . . A 52 LEU HD23 . 19403 1 540 . 1 1 53 53 LEU CA C 13 54.670 0.30 . . . . . A 52 LEU CA . 19403 1 541 . 1 1 53 53 LEU CB C 13 43.319 0.30 . . . . . A 52 LEU CB . 19403 1 542 . 1 1 53 53 LEU N N 15 120.480 0.30 . . . . . A 52 LEU N . 19403 1 543 . 1 1 54 54 VAL HA H 1 4.320 0.02 . . . . . A 53 VAL HA . 19403 1 544 . 1 1 54 54 VAL HB H 1 1.840 0.02 . . . . . A 53 VAL HB . 19403 1 545 . 1 1 54 54 VAL HG11 H 1 0.770 0.02 . . . . . A 53 VAL HG11 . 19403 1 546 . 1 1 54 54 VAL HG12 H 1 0.770 0.02 . . . . . A 53 VAL HG12 . 19403 1 547 . 1 1 54 54 VAL HG13 H 1 0.770 0.02 . . . . . A 53 VAL HG13 . 19403 1 548 . 1 1 54 54 VAL HG21 H 1 0.770 0.02 . . . . . A 53 VAL HG21 . 19403 1 549 . 1 1 54 54 VAL HG22 H 1 0.770 0.02 . . . . . A 53 VAL HG22 . 19403 1 550 . 1 1 54 54 VAL HG23 H 1 0.770 0.02 . . . . . A 53 VAL HG23 . 19403 1 551 . 1 1 54 54 VAL C C 13 178.340 0.30 . . . . . A 53 VAL C . 19403 1 552 . 1 1 54 54 VAL CA C 13 61.620 0.30 . . . . . A 53 VAL CA . 19403 1 553 . 1 1 54 54 VAL CB C 13 32.550 0.30 . . . . . A 53 VAL CB . 19403 1 554 . 1 1 55 55 VAL H H 1 8.880 0.02 . . . . . A 54 VAL H . 19403 1 555 . 1 1 55 55 VAL HA H 1 4.290 0.02 . . . . . A 54 VAL HA . 19403 1 556 . 1 1 55 55 VAL HB H 1 1.860 0.02 . . . . . A 54 VAL HB . 19403 1 557 . 1 1 55 55 VAL HG11 H 1 0.790 0.02 . . . . . A 54 VAL HG11 . 19403 1 558 . 1 1 55 55 VAL HG12 H 1 0.790 0.02 . . . . . A 54 VAL HG12 . 19403 1 559 . 1 1 55 55 VAL HG13 H 1 0.790 0.02 . . . . . A 54 VAL HG13 . 19403 1 560 . 1 1 55 55 VAL HG21 H 1 0.790 0.02 . . . . . A 54 VAL HG21 . 19403 1 561 . 1 1 55 55 VAL HG22 H 1 0.790 0.02 . . . . . A 54 VAL HG22 . 19403 1 562 . 1 1 55 55 VAL HG23 H 1 0.790 0.02 . . . . . A 54 VAL HG23 . 19403 1 563 . 1 1 55 55 VAL C C 13 176.710 0.30 . . . . . A 54 VAL C . 19403 1 564 . 1 1 55 55 VAL CA C 13 60.660 0.30 . . . . . A 54 VAL CA . 19403 1 565 . 1 1 55 55 VAL CB C 13 34.540 0.30 . . . . . A 54 VAL CB . 19403 1 566 . 1 1 55 55 VAL N N 15 124.350 0.30 . . . . . A 54 VAL N . 19403 1 567 . 1 1 56 56 LYS H H 1 8.520 0.02 . . . . . A 55 LYS H . 19403 1 568 . 1 1 56 56 LYS HA H 1 4.410 0.02 . . . . . A 55 LYS HA . 19403 1 569 . 1 1 56 56 LYS HB2 H 1 1.510 0.02 . . . . . A 55 LYS HB2 . 19403 1 570 . 1 1 56 56 LYS HB3 H 1 1.760 0.02 . . . . . A 55 LYS HB3 . 19403 1 571 . 1 1 56 56 LYS HG2 H 1 1.500 0.02 . . . . . A 55 LYS HG2 . 19403 1 572 . 1 1 56 56 LYS HG3 H 1 1.500 0.02 . . . . . A 55 LYS HG3 . 19403 1 573 . 1 1 56 56 LYS HD2 H 1 1.220 0.02 . . . . . A 55 LYS HD2 . 19403 1 574 . 1 1 56 56 LYS HD3 H 1 1.220 0.02 . . . . . A 55 LYS HD3 . 19403 1 575 . 1 1 56 56 LYS C C 13 177.890 0.30 . . . . . A 55 LYS C . 19403 1 576 . 1 1 56 56 LYS CA C 13 55.280 0.30 . . . . . A 55 LYS CA . 19403 1 577 . 1 1 56 56 LYS CB C 13 33.760 0.30 . . . . . A 55 LYS CB . 19403 1 578 . 1 1 56 56 LYS N N 15 126.480 0.30 . . . . . A 55 LYS N . 19403 1 579 . 1 1 57 57 GLN H H 1 8.770 0.02 . . . . . A 56 GLN H . 19403 1 580 . 1 1 57 57 GLN HA H 1 4.310 0.02 . . . . . A 56 GLN HA . 19403 1 581 . 1 1 57 57 GLN HB2 H 1 1.890 0.02 . . . . . A 56 GLN HB2 . 19403 1 582 . 1 1 57 57 GLN HB3 H 1 1.890 0.02 . . . . . A 56 GLN HB3 . 19403 1 583 . 1 1 57 57 GLN HG2 H 1 2.290 0.02 . . . . . A 56 GLN HG2 . 19403 1 584 . 1 1 57 57 GLN HG3 H 1 2.290 0.02 . . . . . A 56 GLN HG3 . 19403 1 585 . 1 1 57 57 GLN C C 13 178.280 0.30 . . . . . A 56 GLN C . 19403 1 586 . 1 1 57 57 GLN CA C 13 55.020 0.30 . . . . . A 56 GLN CA . 19403 1 587 . 1 1 57 57 GLN CB C 13 29.600 0.30 . . . . . A 56 GLN CB . 19403 1 588 . 1 1 57 57 GLN N N 15 126.290 0.30 . . . . . A 56 GLN N . 19403 1 589 . 1 1 58 58 THR H H 1 8.570 0.02 . . . . . A 57 THR H . 19403 1 590 . 1 1 58 58 THR HA H 1 3.950 0.02 . . . . . A 57 THR HA . 19403 1 591 . 1 1 58 58 THR HB H 1 3.950 0.02 . . . . . A 57 THR HB . 19403 1 592 . 1 1 58 58 THR HG21 H 1 1.180 0.02 . . . . . A 57 THR HG21 . 19403 1 593 . 1 1 58 58 THR HG22 H 1 1.180 0.02 . . . . . A 57 THR HG22 . 19403 1 594 . 1 1 58 58 THR HG23 H 1 1.180 0.02 . . . . . A 57 THR HG23 . 19403 1 595 . 1 1 58 58 THR C C 13 178.060 0.30 . . . . . A 57 THR C . 19403 1 596 . 1 1 58 58 THR CA C 13 64.480 0.30 . . . . . A 57 THR CA . 19403 1 597 . 1 1 58 58 THR CB C 13 68.560 0.30 . . . . . A 57 THR CB . 19403 1 598 . 1 1 58 58 THR N N 15 120.090 0.30 . . . . . A 57 THR N . 19403 1 599 . 1 1 59 59 GLY H H 1 8.960 0.02 . . . . . A 58 GLY H . 19403 1 600 . 1 1 59 59 GLY HA2 H 1 3.690 0.02 . . . . . A 58 GLY HA2 . 19403 1 601 . 1 1 59 59 GLY HA3 H 1 4.060 0.02 . . . . . A 58 GLY HA3 . 19403 1 602 . 1 1 59 59 GLY C C 13 175.240 0.30 . . . . . A 58 GLY C . 19403 1 603 . 1 1 59 59 GLY CA C 13 45.040 0.30 . . . . . A 58 GLY CA . 19403 1 604 . 1 1 59 59 GLY N N 15 114.680 0.30 . . . . . A 58 GLY N . 19403 1 605 . 1 1 60 60 ALA H H 1 7.780 0.02 . . . . . A 59 ALA H . 19403 1 606 . 1 1 60 60 ALA HA H 1 4.490 0.02 . . . . . A 59 ALA HA . 19403 1 607 . 1 1 60 60 ALA HB1 H 1 1.320 0.02 . . . . . A 59 ALA HB1 . 19403 1 608 . 1 1 60 60 ALA HB2 H 1 1.320 0.02 . . . . . A 59 ALA HB2 . 19403 1 609 . 1 1 60 60 ALA HB3 H 1 1.320 0.02 . . . . . A 59 ALA HB3 . 19403 1 610 . 1 1 60 60 ALA C C 13 179.430 0.30 . . . . . A 59 ALA C . 19403 1 611 . 1 1 60 60 ALA CA C 13 50.680 0.30 . . . . . A 59 ALA CA . 19403 1 612 . 1 1 60 60 ALA CB C 13 20.750 0.30 . . . . . A 59 ALA CB . 19403 1 613 . 1 1 60 60 ALA N N 15 121.450 0.30 . . . . . A 59 ALA N . 19403 1 614 . 1 1 61 61 CYS H H 1 8.690 0.02 . . . . . A 60 CYS H . 19403 1 615 . 1 1 61 61 CYS HA H 1 4.150 0.02 . . . . . A 60 CYS HA . 19403 1 616 . 1 1 61 61 CYS HB2 H 1 2.960 0.02 . . . . . A 60 CYS HB2 . 19403 1 617 . 1 1 61 61 CYS HB3 H 1 2.670 0.02 . . . . . A 60 CYS HB3 . 19403 1 618 . 1 1 61 61 CYS C C 13 177.330 0.30 . . . . . A 60 CYS C . 19403 1 619 . 1 1 61 61 CYS CA C 13 58.150 0.30 . . . . . A 60 CYS CA . 19403 1 620 . 1 1 61 61 CYS CB C 13 41.830 0.30 . . . . . A 60 CYS CB . 19403 1 621 . 1 1 61 61 CYS N N 15 118.160 0.30 . . . . . A 60 CYS N . 19403 1 622 . 1 1 62 62 CYS H H 1 8.310 0.02 . . . . . A 61 CYS H . 19403 1 623 . 1 1 62 62 CYS HA H 1 4.880 0.02 . . . . . A 61 CYS HA . 19403 1 624 . 1 1 62 62 CYS HB2 H 1 3.250 0.02 . . . . . A 61 CYS HB2 . 19403 1 625 . 1 1 62 62 CYS HB3 H 1 2.580 0.02 . . . . . A 61 CYS HB3 . 19403 1 626 . 1 1 62 62 CYS C C 13 177.510 0.30 . . . . . A 61 CYS C . 19403 1 627 . 1 1 62 62 CYS CA C 13 52.510 0.30 . . . . . A 61 CYS CA . 19403 1 628 . 1 1 62 62 CYS CB C 13 39.400 0.30 . . . . . A 61 CYS CB . 19403 1 629 . 1 1 62 62 CYS N N 15 115.360 0.30 . . . . . A 61 CYS N . 19403 1 630 . 1 1 63 63 GLU H H 1 8.910 0.02 . . . . . A 62 GLU H . 19403 1 631 . 1 1 63 63 GLU HA H 1 4.270 0.02 . . . . . A 62 GLU HA . 19403 1 632 . 1 1 63 63 GLU HB2 H 1 1.830 0.02 . . . . . A 62 GLU HB2 . 19403 1 633 . 1 1 63 63 GLU HB3 H 1 1.830 0.02 . . . . . A 62 GLU HB3 . 19403 1 634 . 1 1 63 63 GLU HG2 H 1 2.170 0.02 . . . . . A 62 GLU HG2 . 19403 1 635 . 1 1 63 63 GLU HG3 H 1 2.170 0.02 . . . . . A 62 GLU HG3 . 19403 1 636 . 1 1 63 63 GLU C C 13 177.380 0.30 . . . . . A 62 GLU C . 19403 1 637 . 1 1 63 63 GLU CA C 13 56.410 0.30 . . . . . A 62 GLU CA . 19403 1 638 . 1 1 63 63 GLU CB C 13 30.550 0.30 . . . . . A 62 GLU CB . 19403 1 639 . 1 1 63 63 GLU N N 15 122.610 0.30 . . . . . A 62 GLU N . 19403 1 640 . 1 1 64 64 LYS H H 1 8.610 0.03 . . . . . A 63 LYS H . 19403 1 641 . 1 1 64 64 LYS HA H 1 4.550 0.02 . . . . . A 63 LYS HA . 19403 1 642 . 1 1 64 64 LYS HB2 H 1 1.560 0.02 . . . . . A 63 LYS HB2 . 19403 1 643 . 1 1 64 64 LYS HB3 H 1 1.670 0.02 . . . . . A 63 LYS HB3 . 19403 1 644 . 1 1 64 64 LYS HG2 H 1 1.550 0.02 . . . . . A 63 LYS HG2 . 19403 1 645 . 1 1 64 64 LYS HG3 H 1 1.550 0.02 . . . . . A 63 LYS HG3 . 19403 1 646 . 1 1 64 64 LYS HD2 H 1 1.270 0.02 . . . . . A 63 LYS HD2 . 19403 1 647 . 1 1 64 64 LYS HD3 H 1 1.270 0.02 . . . . . A 63 LYS HD3 . 19403 1 648 . 1 1 64 64 LYS C C 13 176.490 0.30 . . . . . A 63 LYS C . 19403 1 649 . 1 1 64 64 LYS CA C 13 54.530 0.30 . . . . . A 63 LYS CA . 19403 1 650 . 1 1 64 64 LYS CB C 13 36.110 0.30 . . . . . A 63 LYS CB . 19403 1 651 . 1 1 64 64 LYS N N 15 118.930 0.30 . . . . . A 63 LYS N . 19403 1 652 . 1 1 65 65 CYS H H 1 8.870 0.02 . . . . . A 64 CYS H . 19403 1 653 . 1 1 65 65 CYS HA H 1 5.710 0.02 . . . . . A 64 CYS HA . 19403 1 654 . 1 1 65 65 CYS HB2 H 1 2.690 0.02 . . . . . A 64 CYS HB2 . 19403 1 655 . 1 1 65 65 CYS HB3 H 1 2.410 0.02 . . . . . A 64 CYS HB3 . 19403 1 656 . 1 1 65 65 CYS C C 13 177.430 0.30 . . . . . A 64 CYS C . 19403 1 657 . 1 1 65 65 CYS CA C 13 55.940 0.30 . . . . . A 64 CYS CA . 19403 1 658 . 1 1 65 65 CYS CB C 13 42.950 0.30 . . . . . A 64 CYS CB . 19403 1 659 . 1 1 65 65 CYS N N 15 120.670 0.30 . . . . . A 64 CYS N . 19403 1 660 . 1 1 66 66 LYS H H 1 9.020 0.02 . . . . . A 65 LYS H . 19403 1 661 . 1 1 66 66 LYS HA H 1 4.210 0.02 . . . . . A 65 LYS HA . 19403 1 662 . 1 1 66 66 LYS HB2 H 1 1.540 0.02 . . . . . A 65 LYS HB2 . 19403 1 663 . 1 1 66 66 LYS HB3 H 1 1.820 0.02 . . . . . A 65 LYS HB3 . 19403 1 664 . 1 1 66 66 LYS HG2 H 1 1.560 0.02 . . . . . A 65 LYS HG2 . 19403 1 665 . 1 1 66 66 LYS HG3 H 1 1.560 0.02 . . . . . A 65 LYS HG3 . 19403 1 666 . 1 1 66 66 LYS HD2 H 1 1.350 0.02 . . . . . A 65 LYS HD2 . 19403 1 667 . 1 1 66 66 LYS HD3 H 1 1.350 0.02 . . . . . A 65 LYS HD3 . 19403 1 668 . 1 1 66 66 LYS C C 13 176.870 0.30 . . . . . A 65 LYS C . 19403 1 669 . 1 1 66 66 LYS CA C 13 56.500 0.30 . . . . . A 65 LYS CA . 19403 1 670 . 1 1 66 66 LYS CB C 13 33.070 0.30 . . . . . A 65 LYS CB . 19403 1 671 . 1 1 66 66 LYS N N 15 129.770 0.30 . . . . . A 65 LYS N . 19403 1 672 . 1 1 67 67 GLY H H 1 7.870 0.02 . . . . . A 66 GLY H . 19403 1 673 . 1 1 67 67 GLY HA2 H 1 3.680 0.02 . . . . . A 66 GLY HA2 . 19403 1 674 . 1 1 67 67 GLY HA3 H 1 3.770 0.02 . . . . . A 66 GLY HA3 . 19403 1 675 . 1 1 67 67 GLY C C 13 178.510 0.30 . . . . . A 66 GLY C . 19403 1 676 . 1 1 67 67 GLY CA C 13 46.170 0.30 . . . . . A 66 GLY CA . 19403 1 677 . 1 1 67 67 GLY N N 15 117.000 0.30 . . . . . A 66 GLY N . 19403 1 stop_ save_