data_5238 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5238 _Entry.Title ; 1H and 15N chemical shift assignments for the heparin-binding domain of vascular endothelial growth factor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-12-18 _Entry.Accession_date 2001-12-19 _Entry.Last_release_date 2001-12-19 _Entry.Original_release_date 2001-12-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Wayne Fairbrother . J. . . 5238 2 Mark Champe . A. . . 5238 3 Hans Christinger . W. . . 5238 4 Bruce Keyt . A. . . 5238 5 Melissa Starovasnik . A. . . 5238 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5238 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 55 5238 '1H chemical shifts' 359 5238 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 . . 2002-02-08 . original BMRB . 5238 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5238 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9634701 _Citation.Full_citation . _Citation.Title ; Solution structure of the heparin-binding domain of vascular endothelial growth factor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue 5 _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 637 _Citation.Page_last 649 _Citation.Year 1998 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Wayne Fairbrother . J. . . 5238 1 2 Mark Champe . A. . . 5238 1 3 Hans Christinger . W. . . 5238 1 4 Bruce Keyt . A. . . 5238 1 5 Melissa Starovasnik . A. . . 5238 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_VEGF-165 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_VEGF-165 _Assembly.Entry_ID 5238 _Assembly.ID 1 _Assembly.Name 'heparin-binding domain of vascular endothelial growth factor-165' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5238 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 'VEGF heparin-binding domain' 1 $VEGF . . . native . . . . . 5238 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 7 7 SG . 1 . 1 CYS 25 25 SG . . . . . . . . . . . . 5238 1 2 disulfide single . 1 . 1 CYS 10 10 SG . 1 . 1 CYS 27 27 SG . . . . . . . . . . . . 5238 1 3 disulfide single . 1 . 1 CYS 29 29 SG . 1 . 1 CYS 48 48 SG . . . . . . . . . . . . 5238 1 4 disulfide single . 1 . 1 CYS 36 36 SG . 1 . 1 CYS 50 50 SG . . . . . . . . . . . . 5238 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 1KMX . . . . . . 5238 1 yes PDB 1VGH . . . . . . 5238 1 yes PDB 2VGH . . . . . . 5238 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID VEGF-165 abbreviation 5238 1 'heparin-binding domain of vascular endothelial growth factor-165' system 5238 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_VEGF _Entity.Sf_category entity _Entity.Sf_framecode VEGF _Entity.Entry_ID 5238 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'vascular endothelial growth factor' _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 ; ARQENPCGPCSERRKHLFVQ DPQTCKCSCKNTDSRCKARQ LELNERTCRCDKPRR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6477 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . no PDB 1KMX . 'Heparin-Binding Domain From Vascular Endothelial Growth Factor' . . . . . 98.18 55 100.00 100.00 2.59e-22 . . . . 5238 1 . no PDB 1VGH . 'Heparin-Binding Domain From Vascular Endothelial Growth Factor, Nmr, 20 Structures' . . . . . 98.18 55 100.00 100.00 2.59e-22 . . . . 5238 1 . no PDB 2VGH . 'Heparin-Binding Domain From Vascular Endothelial Growth Factor, Nmr, Minimized Average Structure' . . . . . 98.18 55 100.00 100.00 2.59e-22 . . . . 5238 1 . no DBJ BAA78418 . 'vascular endothelial growth factor isoform VEGF165 [Homo sapiens]' . . . . . 100.00 191 100.00 100.00 6.26e-24 . . . . 5238 1 . no DBJ BAB20890 . 'vascular endothelial growth factor 164 [Equus caballus]' . . . . . 100.00 190 100.00 100.00 5.44e-24 . . . . 5238 1 . no DBJ BAB68520 . 'vascular endothelial growth factor [Felis catus]' . . . . . 96.36 189 98.11 100.00 2.25e-22 . . . . 5238 1 . no EMBL CAA09179 . 'VEGF183 protein [Homo sapiens]' . . . . . 90.91 209 100.00 100.00 4.17e-21 . . . . 5238 1 . no EMBL CAA44447 . 'vascular endothelial growth factor [Homo sapiens]' . . . . . 100.00 191 100.00 100.00 6.26e-24 . . . . 5238 1 . no EMBL CAA57143 . 'unnamed protein product [Sus scrofa]' . . . . . 100.00 190 100.00 100.00 7.59e-24 . . . . 5238 1 . no EMBL CAB82426 . 'vascular endothelial growth factor 188 [Canis familiaris]' . . . . . 90.91 214 100.00 100.00 2.77e-21 . . . . 5238 1 . no EMBL CAC19512 . 'vascular endothelial growth factor [Homo sapiens]' . . . . . 92.73 232 98.04 100.00 1.85e-21 . . . . 5238 1 . no GenBank AAA30502 . 'vascular endothelial growth factor (VEGF) precursor' . . . . . 100.00 190 100.00 100.00 7.04e-24 . . . . 5238 1 . no GenBank AAA30804 . 'vascular endothelial growth factor' . . . . . 100.00 164 100.00 100.00 2.05e-23 . . . . 5238 1 . no GenBank AAA35789 . 'vascular endothelial growth factor' . . . . . 100.00 191 100.00 100.00 6.26e-24 . . . . 5238 1 . no GenBank AAA36804 . 'vascular endothelial growth factor' . . . . . 90.91 215 100.00 100.00 2.19e-21 . . . . 5238 1 . no GenBank AAA36807 . 'vascular permeability factor precursor' . . . . . 90.91 215 100.00 100.00 2.19e-21 . . . . 5238 1 . no PRF 2105202A . 'vascular endothelial growth factor' . . . . . 100.00 190 100.00 100.00 7.59e-24 . . . . 5238 1 . no REF NP_001003175 . 'vascular endothelial growth factor A isoform 1 precursor [Canis lupus familiaris]' . . . . . 90.91 214 100.00 100.00 2.77e-21 . . . . 5238 1 . no REF NP_001009854 . 'vascular endothelial growth factor A [Felis catus]' . . . . . 96.36 189 98.11 100.00 2.25e-22 . . . . 5238 1 . no REF NP_001020537 . 'vascular endothelial growth factor A isoform a precursor [Homo sapiens]' . . . . . 92.73 412 98.04 100.00 3.93e-22 . . . . 5238 1 . no REF NP_001020538 . 'vascular endothelial growth factor A isoform c precursor [Homo sapiens]' . . . . . 90.91 389 100.00 100.00 7.53e-22 . . . . 5238 1 . no REF NP_001020539 . 'vascular endothelial growth factor A isoform d precursor [Homo sapiens]' . . . . . 100.00 371 100.00 100.00 9.91e-25 . . . . 5238 1 . no SWISS-PROT P15691 . 'Vascular endothelial growth factor A precursor (VEGF-A) (Vascular permeability factor) (VPF)' . . . . . 100.00 190 100.00 100.00 7.04e-24 . . . . 5238 1 . no SWISS-PROT P15692 . 'Vascular endothelial growth factor A precursor (VEGF-A) (Vascular permeability factor) (VPF)' . . . . . 92.73 232 98.04 100.00 1.85e-21 . . . . 5238 1 . no SWISS-PROT P26617 . 'Vascular endothelial growth factor A (VEGF-A) (Vascular permeability factor) (VPF)' . . . . . 100.00 164 98.18 100.00 3.86e-23 . . . . 5238 1 . no SWISS-PROT P49151 . 'Vascular endothelial growth factor A precursor (VEGF-A) (Vascular permeability factor) (VPF)' . . . . . 100.00 190 100.00 100.00 7.59e-24 . . . . 5238 1 . no SWISS-PROT Q9GKR0 . 'Vascular endothelial growth factor A precursor (VEGF-A) (Vascular permeability factor) (VPF)' . . . . . 100.00 190 100.00 100.00 5.44e-24 . . . . 5238 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID VEGF abbreviation 5238 1 'vascular endothelial growth factor' common 5238 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 . ALA . 5238 1 2 . ARG . 5238 1 3 . GLN . 5238 1 4 . GLU . 5238 1 5 . ASN . 5238 1 6 . PRO . 5238 1 7 . CYS . 5238 1 8 . GLY . 5238 1 9 . PRO . 5238 1 10 . CYS . 5238 1 11 . SER . 5238 1 12 . GLU . 5238 1 13 . ARG . 5238 1 14 . ARG . 5238 1 15 . LYS . 5238 1 16 . HIS . 5238 1 17 . LEU . 5238 1 18 . PHE . 5238 1 19 . VAL . 5238 1 20 . GLN . 5238 1 21 . ASP . 5238 1 22 . PRO . 5238 1 23 . GLN . 5238 1 24 . THR . 5238 1 25 . CYS . 5238 1 26 . LYS . 5238 1 27 . CYS . 5238 1 28 . SER . 5238 1 29 . CYS . 5238 1 30 . LYS . 5238 1 31 . ASN . 5238 1 32 . THR . 5238 1 33 . ASP . 5238 1 34 . SER . 5238 1 35 . ARG . 5238 1 36 . CYS . 5238 1 37 . LYS . 5238 1 38 . ALA . 5238 1 39 . ARG . 5238 1 40 . GLN . 5238 1 41 . LEU . 5238 1 42 . GLU . 5238 1 43 . LEU . 5238 1 44 . ASN . 5238 1 45 . GLU . 5238 1 46 . ARG . 5238 1 47 . THR . 5238 1 48 . CYS . 5238 1 49 . ARG . 5238 1 50 . CYS . 5238 1 51 . ASP . 5238 1 52 . LYS . 5238 1 53 . PRO . 5238 1 54 . ARG . 5238 1 55 . ARG . 5238 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 . ALA 1 1 5238 1 . ARG 2 2 5238 1 . GLN 3 3 5238 1 . GLU 4 4 5238 1 . ASN 5 5 5238 1 . PRO 6 6 5238 1 . CYS 7 7 5238 1 . GLY 8 8 5238 1 . PRO 9 9 5238 1 . CYS 10 10 5238 1 . SER 11 11 5238 1 . GLU 12 12 5238 1 . ARG 13 13 5238 1 . ARG 14 14 5238 1 . LYS 15 15 5238 1 . HIS 16 16 5238 1 . LEU 17 17 5238 1 . PHE 18 18 5238 1 . VAL 19 19 5238 1 . GLN 20 20 5238 1 . ASP 21 21 5238 1 . PRO 22 22 5238 1 . GLN 23 23 5238 1 . THR 24 24 5238 1 . CYS 25 25 5238 1 . LYS 26 26 5238 1 . CYS 27 27 5238 1 . SER 28 28 5238 1 . CYS 29 29 5238 1 . LYS 30 30 5238 1 . ASN 31 31 5238 1 . THR 32 32 5238 1 . ASP 33 33 5238 1 . SER 34 34 5238 1 . ARG 35 35 5238 1 . CYS 36 36 5238 1 . LYS 37 37 5238 1 . ALA 38 38 5238 1 . ARG 39 39 5238 1 . GLN 40 40 5238 1 . LEU 41 41 5238 1 . GLU 42 42 5238 1 . LEU 43 43 5238 1 . ASN 44 44 5238 1 . GLU 45 45 5238 1 . ARG 46 46 5238 1 . THR 47 47 5238 1 . CYS 48 48 5238 1 . ARG 49 49 5238 1 . CYS 50 50 5238 1 . ASP 51 51 5238 1 . LYS 52 52 5238 1 . PRO 53 53 5238 1 . ARG 54 54 5238 1 . ARG 55 55 5238 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 5238 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $VEGF . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 5238 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 5238 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $VEGF . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli SB558 . . . . . . . . . 5238 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5238 _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 'vascular endothelial growth factor' . . . 1 $VEGF . . 1.0 . . mM . . . . 5238 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5238 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'vascular endothelial growth factor' [U-15N] . . 1 $VEGF . . 2.0 . . mM . . . . 5238 2 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5238 _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 5.5 0.1 n/a 5238 1 temperature 300 1 K 5238 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5238 _Software.ID 1 _Software.Type . _Software.Name FELIX _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analysis 5238 1 processing 5238 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5238 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _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 5238 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker AMX . 500 . . . 5238 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 5238 _Experiment_list.ID 1 _Experiment_list.Details '5 mm inverse triple-resonance probehead with three-axis gradient coils.' 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 2QF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5238 1 2 2Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5238 1 3 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5238 1 4 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5238 1 5 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5238 1 6 '1H-15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5238 1 7 '1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5238 1 8 '1H-15N ROESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5238 1 9 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5238 1 10 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5238 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5238 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 5238 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 5238 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5238 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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 2QF-COSY . . . 5238 1 2 2Q . . . 5238 1 3 TOCSY . . . 5238 1 4 NOESY . . . 5238 1 5 '1H-15N HSQC' . . . 5238 1 6 '1H-15N TOCSY-HSQC' . . . 5238 1 7 '1H-15N NOESY-HSQC' . . . 5238 1 8 '1H-15N ROESY-HSQC' . . . 5238 1 9 HNHA . . . 5238 1 10 HNHB . . . 5238 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.13 0.05 . 1 . . . . . . . . . 5238 1 2 . 1 1 1 1 ALA HB1 H 1 1.54 0.05 . 1 . . . . . . . . . 5238 1 3 . 1 1 1 1 ALA HB2 H 1 1.54 0.05 . 1 . . . . . . . . . 5238 1 4 . 1 1 1 1 ALA HB3 H 1 1.54 0.05 . 1 . . . . . . . . . 5238 1 5 . 1 1 2 2 ARG H H 1 8.64 0.05 . 1 . . . . . . . . . 5238 1 6 . 1 1 2 2 ARG HA H 1 4.32 0.05 . 1 . . . . . . . . . 5238 1 7 . 1 1 2 2 ARG HB2 H 1 1.79 0.05 . 1 . . . . . . . . . 5238 1 8 . 1 1 2 2 ARG HB3 H 1 1.79 0.05 . 1 . . . . . . . . . 5238 1 9 . 1 1 2 2 ARG HG2 H 1 1.60 0.05 . 1 . . . . . . . . . 5238 1 10 . 1 1 2 2 ARG HG3 H 1 1.60 0.05 . 1 . . . . . . . . . 5238 1 11 . 1 1 2 2 ARG HD2 H 1 3.20 0.05 . 1 . . . . . . . . . 5238 1 12 . 1 1 2 2 ARG HD3 H 1 3.20 0.05 . 1 . . . . . . . . . 5238 1 13 . 1 1 2 2 ARG N N 15 120.9 0.20 . 1 . . . . . . . . . 5238 1 14 . 1 1 3 3 GLN H H 1 8.58 0.05 . 1 . . . . . . . . . 5238 1 15 . 1 1 3 3 GLN HA H 1 4.32 0.05 . 1 . . . . . . . . . 5238 1 16 . 1 1 3 3 GLN HB2 H 1 1.96 0.05 . 2 . . . . . . . . . 5238 1 17 . 1 1 3 3 GLN HB3 H 1 2.07 0.05 . 2 . . . . . . . . . 5238 1 18 . 1 1 3 3 GLN HG2 H 1 2.36 0.05 . 1 . . . . . . . . . 5238 1 19 . 1 1 3 3 GLN HG3 H 1 2.36 0.05 . 1 . . . . . . . . . 5238 1 20 . 1 1 3 3 GLN N N 15 122.8 0.20 . 1 . . . . . . . . . 5238 1 21 . 1 1 4 4 GLU H H 1 8.52 0.05 . 1 . . . . . . . . . 5238 1 22 . 1 1 4 4 GLU HA H 1 4.24 0.05 . 1 . . . . . . . . . 5238 1 23 . 1 1 4 4 GLU HB2 H 1 1.88 0.05 . 2 . . . . . . . . . 5238 1 24 . 1 1 4 4 GLU HB3 H 1 2.02 0.05 . 2 . . . . . . . . . 5238 1 25 . 1 1 4 4 GLU HG2 H 1 2.20 0.05 . 2 . . . . . . . . . 5238 1 26 . 1 1 4 4 GLU HG3 H 1 2.25 0.05 . 2 . . . . . . . . . 5238 1 27 . 1 1 4 4 GLU N N 15 122.9 0.20 . 1 . . . . . . . . . 5238 1 28 . 1 1 5 5 ASN H H 1 8.46 0.05 . 1 . . . . . . . . . 5238 1 29 . 1 1 5 5 ASN HA H 1 4.97 0.05 . 1 . . . . . . . . . 5238 1 30 . 1 1 5 5 ASN HB2 H 1 2.66 0.05 . 2 . . . . . . . . . 5238 1 31 . 1 1 5 5 ASN HB3 H 1 2.81 0.05 . 2 . . . . . . . . . 5238 1 32 . 1 1 5 5 ASN HD22 H 1 6.89 0.05 . 1 . . . . . . . . . 5238 1 33 . 1 1 5 5 ASN HD21 H 1 7.56 0.05 . 1 . . . . . . . . . 5238 1 34 . 1 1 5 5 ASN N N 15 120.1 0.20 . 1 . . . . . . . . . 5238 1 35 . 1 1 5 5 ASN ND2 N 15 113.1 0.05 . 1 . . . . . . . . . 5238 1 36 . 1 1 6 6 PRO HA H 1 4.46 0.05 . 1 . . . . . . . . . 5238 1 37 . 1 1 6 6 PRO HB2 H 1 2.01 0.05 . 2 . . . . . . . . . 5238 1 38 . 1 1 6 6 PRO HB3 H 1 2.22 0.05 . 2 . . . . . . . . . 5238 1 39 . 1 1 6 6 PRO HG2 H 1 2.02 0.05 . 1 . . . . . . . . . 5238 1 40 . 1 1 6 6 PRO HG3 H 1 2.02 0.05 . 1 . . . . . . . . . 5238 1 41 . 1 1 6 6 PRO HD2 H 1 3.74 0.05 . 1 . . . . . . . . . 5238 1 42 . 1 1 6 6 PRO HD3 H 1 3.74 0.05 . 1 . . . . . . . . . 5238 1 43 . 1 1 7 7 CYS H H 1 8.37 0.05 . 1 . . . . . . . . . 5238 1 44 . 1 1 7 7 CYS HA H 1 4.71 0.05 . 1 . . . . . . . . . 5238 1 45 . 1 1 7 7 CYS HB2 H 1 2.59 0.05 . 1 . . . . . . . . . 5238 1 46 . 1 1 7 7 CYS HB3 H 1 3.15 0.05 . 1 . . . . . . . . . 5238 1 47 . 1 1 7 7 CYS N N 15 118.7 0.20 . 1 . . . . . . . . . 5238 1 48 . 1 1 8 8 GLY H H 1 8.76 0.05 . 1 . . . . . . . . . 5238 1 49 . 1 1 8 8 GLY HA2 H 1 3.71 0.05 . 2 . . . . . . . . . 5238 1 50 . 1 1 8 8 GLY HA3 H 1 4.33 0.05 . 2 . . . . . . . . . 5238 1 51 . 1 1 8 8 GLY N N 15 111.6 0.20 . 1 . . . . . . . . . 5238 1 52 . 1 1 9 9 PRO HA H 1 4.46 0.05 . 1 . . . . . . . . . 5238 1 53 . 1 1 9 9 PRO HB2 H 1 1.79 0.05 . 2 . . . . . . . . . 5238 1 54 . 1 1 9 9 PRO HB3 H 1 2.21 0.05 . 2 . . . . . . . . . 5238 1 55 . 1 1 9 9 PRO HG2 H 1 1.95 0.05 . 2 . . . . . . . . . 5238 1 56 . 1 1 9 9 PRO HG3 H 1 2.02 0.05 . 2 . . . . . . . . . 5238 1 57 . 1 1 9 9 PRO HD2 H 1 3.55 0.05 . 2 . . . . . . . . . 5238 1 58 . 1 1 9 9 PRO HD3 H 1 3.64 0.05 . 2 . . . . . . . . . 5238 1 59 . 1 1 10 10 CYS H H 1 8.78 0.05 . 1 . . . . . . . . . 5238 1 60 . 1 1 10 10 CYS HA H 1 4.31 0.05 . 1 . . . . . . . . . 5238 1 61 . 1 1 10 10 CYS HB2 H 1 2.42 0.05 . 2 . . . . . . . . . 5238 1 62 . 1 1 10 10 CYS HB3 H 1 2.48 0.05 . 2 . . . . . . . . . 5238 1 63 . 1 1 10 10 CYS N N 15 118.8 0.20 . 1 . . . . . . . . . 5238 1 64 . 1 1 11 11 SER H H 1 7.66 0.05 . 1 . . . . . . . . . 5238 1 65 . 1 1 11 11 SER HA H 1 4.21 0.05 . 1 . . . . . . . . . 5238 1 66 . 1 1 11 11 SER HB2 H 1 3.28 0.05 . 2 . . . . . . . . . 5238 1 67 . 1 1 11 11 SER HB3 H 1 3.71 0.05 . 2 . . . . . . . . . 5238 1 68 . 1 1 11 11 SER N N 15 112.0 0.20 . 1 . . . . . . . . . 5238 1 69 . 1 1 12 12 GLU H H 1 8.52 0.05 . 1 . . . . . . . . . 5238 1 70 . 1 1 12 12 GLU HA H 1 4.25 0.05 . 1 . . . . . . . . . 5238 1 71 . 1 1 12 12 GLU HB2 H 1 1.90 0.05 . 2 . . . . . . . . . 5238 1 72 . 1 1 12 12 GLU HB3 H 1 2.02 0.05 . 2 . . . . . . . . . 5238 1 73 . 1 1 12 12 GLU HG2 H 1 2.25 0.05 . 1 . . . . . . . . . 5238 1 74 . 1 1 12 12 GLU HG3 H 1 2.25 0.05 . 1 . . . . . . . . . 5238 1 75 . 1 1 12 12 GLU N N 15 122.6 0.20 . 1 . . . . . . . . . 5238 1 76 . 1 1 13 13 ARG H H 1 8.24 0.05 . 1 . . . . . . . . . 5238 1 77 . 1 1 13 13 ARG HA H 1 4.41 0.05 . 1 . . . . . . . . . 5238 1 78 . 1 1 13 13 ARG HB2 H 1 1.79 0.05 . 2 . . . . . . . . . 5238 1 79 . 1 1 13 13 ARG HB3 H 1 1.90 0.05 . 2 . . . . . . . . . 5238 1 80 . 1 1 13 13 ARG HG2 H 1 1.63 0.05 . 1 . . . . . . . . . 5238 1 81 . 1 1 13 13 ARG HG3 H 1 1.63 0.05 . 1 . . . . . . . . . 5238 1 82 . 1 1 13 13 ARG HD2 H 1 3.23 0.05 . 1 . . . . . . . . . 5238 1 83 . 1 1 13 13 ARG HD3 H 1 3.23 0.05 . 1 . . . . . . . . . 5238 1 84 . 1 1 13 13 ARG N N 15 117.7 0.20 . 1 . . . . . . . . . 5238 1 85 . 1 1 14 14 ARG H H 1 8.36 0.05 . 1 . . . . . . . . . 5238 1 86 . 1 1 14 14 ARG HA H 1 4.45 0.05 . 1 . . . . . . . . . 5238 1 87 . 1 1 14 14 ARG HB2 H 1 1.84 0.05 . 1 . . . . . . . . . 5238 1 88 . 1 1 14 14 ARG HB3 H 1 1.84 0.05 . 1 . . . . . . . . . 5238 1 89 . 1 1 14 14 ARG HG2 H 1 1.60 0.05 . 1 . . . . . . . . . 5238 1 90 . 1 1 14 14 ARG HG3 H 1 1.60 0.05 . 1 . . . . . . . . . 5238 1 91 . 1 1 14 14 ARG HD2 H 1 3.20 0.05 . 2 . . . . . . . . . 5238 1 92 . 1 1 14 14 ARG HD3 H 1 3.27 0.05 . 2 . . . . . . . . . 5238 1 93 . 1 1 14 14 ARG N N 15 119.3 0.20 . 1 . . . . . . . . . 5238 1 94 . 1 1 15 15 LYS H H 1 8.06 0.05 . 1 . . . . . . . . . 5238 1 95 . 1 1 15 15 LYS HA H 1 3.99 0.05 . 1 . . . . . . . . . 5238 1 96 . 1 1 15 15 LYS HB2 H 1 1.83 0.05 . 1 . . . . . . . . . 5238 1 97 . 1 1 15 15 LYS HB3 H 1 1.83 0.05 . 1 . . . . . . . . . 5238 1 98 . 1 1 15 15 LYS HG2 H 1 1.38 0.05 . 1 . . . . . . . . . 5238 1 99 . 1 1 15 15 LYS HG3 H 1 1.38 0.05 . 1 . . . . . . . . . 5238 1 100 . 1 1 15 15 LYS HD2 H 1 1.70 0.05 . 1 . . . . . . . . . 5238 1 101 . 1 1 15 15 LYS HD3 H 1 1.70 0.05 . 1 . . . . . . . . . 5238 1 102 . 1 1 15 15 LYS HE2 H 1 3.04 0.05 . 1 . . . . . . . . . 5238 1 103 . 1 1 15 15 LYS HE3 H 1 3.04 0.05 . 1 . . . . . . . . . 5238 1 104 . 1 1 15 15 LYS N N 15 118.8 0.20 . 1 . . . . . . . . . 5238 1 105 . 1 1 16 16 HIS H H 1 8.42 0.05 . 1 . . . . . . . . . 5238 1 106 . 1 1 16 16 HIS HA H 1 4.61 0.05 . 1 . . . . . . . . . 5238 1 107 . 1 1 16 16 HIS HB2 H 1 3.16 0.05 . 2 . . . . . . . . . 5238 1 108 . 1 1 16 16 HIS HB3 H 1 3.25 0.05 . 2 . . . . . . . . . 5238 1 109 . 1 1 16 16 HIS HD2 H 1 7.14 0.05 . 1 . . . . . . . . . 5238 1 110 . 1 1 16 16 HIS HE1 H 1 8.15 0.05 . 1 . . . . . . . . . 5238 1 111 . 1 1 16 16 HIS N N 15 115.4 0.20 . 1 . . . . . . . . . 5238 1 112 . 1 1 17 17 LEU H H 1 7.71 0.05 . 1 . . . . . . . . . 5238 1 113 . 1 1 17 17 LEU HA H 1 4.14 0.05 . 1 . . . . . . . . . 5238 1 114 . 1 1 17 17 LEU HB2 H 1 1.39 0.05 . 1 . . . . . . . . . 5238 1 115 . 1 1 17 17 LEU HB3 H 1 1.08 0.05 . 1 . . . . . . . . . 5238 1 116 . 1 1 17 17 LEU HG H 1 1.03 0.05 . 1 . . . . . . . . . 5238 1 117 . 1 1 17 17 LEU HD11 H 1 0.68 0.05 . 2 . . . . . . . . . 5238 1 118 . 1 1 17 17 LEU HD12 H 1 0.68 0.05 . 2 . . . . . . . . . 5238 1 119 . 1 1 17 17 LEU HD13 H 1 0.68 0.05 . 2 . . . . . . . . . 5238 1 120 . 1 1 17 17 LEU HD21 H 1 0.78 0.05 . 2 . . . . . . . . . 5238 1 121 . 1 1 17 17 LEU HD22 H 1 0.78 0.05 . 2 . . . . . . . . . 5238 1 122 . 1 1 17 17 LEU HD23 H 1 0.78 0.05 . 2 . . . . . . . . . 5238 1 123 . 1 1 17 17 LEU N N 15 119.0 0.20 . 1 . . . . . . . . . 5238 1 124 . 1 1 18 18 PHE H H 1 7.89 0.05 . 1 . . . . . . . . . 5238 1 125 . 1 1 18 18 PHE HA H 1 5.28 0.05 . 1 . . . . . . . . . 5238 1 126 . 1 1 18 18 PHE HB2 H 1 2.84 0.05 . 2 . . . . . . . . . 5238 1 127 . 1 1 18 18 PHE HB3 H 1 3.04 0.05 . 2 . . . . . . . . . 5238 1 128 . 1 1 18 18 PHE HD1 H 1 7.02 0.05 . 1 . . . . . . . . . 5238 1 129 . 1 1 18 18 PHE HD2 H 1 7.02 0.05 . 1 . . . . . . . . . 5238 1 130 . 1 1 18 18 PHE HE1 H 1 7.25 0.05 . 1 . . . . . . . . . 5238 1 131 . 1 1 18 18 PHE HE2 H 1 7.25 0.05 . 1 . . . . . . . . . 5238 1 132 . 1 1 18 18 PHE HZ H 1 7.35 0.05 . 1 . . . . . . . . . 5238 1 133 . 1 1 18 18 PHE N N 15 117.5 0.20 . 1 . . . . . . . . . 5238 1 134 . 1 1 19 19 VAL H H 1 9.20 0.05 . 1 . . . . . . . . . 5238 1 135 . 1 1 19 19 VAL HA H 1 4.44 0.05 . 1 . . . . . . . . . 5238 1 136 . 1 1 19 19 VAL HB H 1 1.98 0.05 . 1 . . . . . . . . . 5238 1 137 . 1 1 19 19 VAL HG11 H 1 0.85 0.05 . 1 . . . . . . . . . 5238 1 138 . 1 1 19 19 VAL HG12 H 1 0.85 0.05 . 1 . . . . . . . . . 5238 1 139 . 1 1 19 19 VAL HG13 H 1 0.85 0.05 . 1 . . . . . . . . . 5238 1 140 . 1 1 19 19 VAL HG21 H 1 0.85 0.05 . 1 . . . . . . . . . 5238 1 141 . 1 1 19 19 VAL HG22 H 1 0.85 0.05 . 1 . . . . . . . . . 5238 1 142 . 1 1 19 19 VAL HG23 H 1 0.85 0.05 . 1 . . . . . . . . . 5238 1 143 . 1 1 19 19 VAL N N 15 118.1 0.20 . 1 . . . . . . . . . 5238 1 144 . 1 1 20 20 GLN H H 1 8.65 0.05 . 1 . . . . . . . . . 5238 1 145 . 1 1 20 20 GLN HA H 1 5.21 0.05 . 1 . . . . . . . . . 5238 1 146 . 1 1 20 20 GLN HB2 H 1 2.01 0.05 . 1 . . . . . . . . . 5238 1 147 . 1 1 20 20 GLN HB3 H 1 2.01 0.05 . 1 . . . . . . . . . 5238 1 148 . 1 1 20 20 GLN HG2 H 1 1.77 0.05 . 2 . . . . . . . . . 5238 1 149 . 1 1 20 20 GLN HG3 H 1 1.89 0.05 . 2 . . . . . . . . . 5238 1 150 . 1 1 20 20 GLN HE22 H 1 7.82 0.05 . 1 . . . . . . . . . 5238 1 151 . 1 1 20 20 GLN HE21 H 1 7.03 0.05 . 1 . . . . . . . . . 5238 1 152 . 1 1 20 20 GLN N N 15 125.2 0.20 . 1 . . . . . . . . . 5238 1 153 . 1 1 20 20 GLN NE2 N 15 114.3 0.05 . 1 . . . . . . . . . 5238 1 154 . 1 1 21 21 ASP H H 1 8.38 0.05 . 1 . . . . . . . . . 5238 1 155 . 1 1 21 21 ASP HA H 1 4.92 0.05 . 1 . . . . . . . . . 5238 1 156 . 1 1 21 21 ASP HB2 H 1 2.60 0.05 . 1 . . . . . . . . . 5238 1 157 . 1 1 21 21 ASP HB3 H 1 3.07 0.05 . 1 . . . . . . . . . 5238 1 158 . 1 1 21 21 ASP N N 15 129.9 0.20 . 1 . . . . . . . . . 5238 1 159 . 1 1 22 22 PRO HA H 1 4.43 0.05 . 1 . . . . . . . . . 5238 1 160 . 1 1 22 22 PRO HB2 H 1 2.01 0.05 . 1 . . . . . . . . . 5238 1 161 . 1 1 22 22 PRO HB3 H 1 2.01 0.05 . 1 . . . . . . . . . 5238 1 162 . 1 1 22 22 PRO HG2 H 1 2.02 0.05 . 2 . . . . . . . . . 5238 1 163 . 1 1 22 22 PRO HG3 H 1 2.12 0.05 . 2 . . . . . . . . . 5238 1 164 . 1 1 22 22 PRO HD2 H 1 3.89 0.05 . 2 . . . . . . . . . 5238 1 165 . 1 1 22 22 PRO HD3 H 1 4.08 0.05 . 2 . . . . . . . . . 5238 1 166 . 1 1 23 23 GLN H H 1 8.46 0.05 . 1 . . . . . . . . . 5238 1 167 . 1 1 23 23 GLN HA H 1 4.37 0.05 . 1 . . . . . . . . . 5238 1 168 . 1 1 23 23 GLN HB2 H 1 2.17 0.05 . 2 . . . . . . . . . 5238 1 169 . 1 1 23 23 GLN HB3 H 1 2.24 0.05 . 2 . . . . . . . . . 5238 1 170 . 1 1 23 23 GLN HG2 H 1 2.34 0.05 . 2 . . . . . . . . . 5238 1 171 . 1 1 23 23 GLN HG3 H 1 2.41 0.05 . 2 . . . . . . . . . 5238 1 172 . 1 1 23 23 GLN N N 15 116.0 0.20 . 1 . . . . . . . . . 5238 1 173 . 1 1 24 24 THR H H 1 7.87 0.05 . 1 . . . . . . . . . 5238 1 174 . 1 1 24 24 THR HA H 1 4.36 0.05 . 1 . . . . . . . . . 5238 1 175 . 1 1 24 24 THR HB H 1 4.42 0.05 . 1 . . . . . . . . . 5238 1 176 . 1 1 24 24 THR HG21 H 1 1.21 0.05 . 1 . . . . . . . . . 5238 1 177 . 1 1 24 24 THR HG22 H 1 1.21 0.05 . 1 . . . . . . . . . 5238 1 178 . 1 1 24 24 THR HG23 H 1 1.21 0.05 . 1 . . . . . . . . . 5238 1 179 . 1 1 24 24 THR N N 15 107.3 0.20 . 1 . . . . . . . . . 5238 1 180 . 1 1 25 25 CYS H H 1 8.36 0.05 . 1 . . . . . . . . . 5238 1 181 . 1 1 25 25 CYS HA H 1 4.44 0.05 . 1 . . . . . . . . . 5238 1 182 . 1 1 25 25 CYS HB2 H 1 3.38 0.05 . 1 . . . . . . . . . 5238 1 183 . 1 1 25 25 CYS HB3 H 1 3.38 0.05 . 1 . . . . . . . . . 5238 1 184 . 1 1 25 25 CYS N N 15 113.4 0.20 . 1 . . . . . . . . . 5238 1 185 . 1 1 26 26 LYS H H 1 8.05 0.05 . 1 . . . . . . . . . 5238 1 186 . 1 1 26 26 LYS HA H 1 4.16 0.05 . 1 . . . . . . . . . 5238 1 187 . 1 1 26 26 LYS HB2 H 1 1.78 0.05 . 1 . . . . . . . . . 5238 1 188 . 1 1 26 26 LYS HB3 H 1 1.78 0.05 . 1 . . . . . . . . . 5238 1 189 . 1 1 26 26 LYS HG2 H 1 1.37 0.05 . 2 . . . . . . . . . 5238 1 190 . 1 1 26 26 LYS HG3 H 1 1.44 0.05 . 2 . . . . . . . . . 5238 1 191 . 1 1 26 26 LYS HD2 H 1 1.70 0.05 . 1 . . . . . . . . . 5238 1 192 . 1 1 26 26 LYS HD3 H 1 1.70 0.05 . 1 . . . . . . . . . 5238 1 193 . 1 1 26 26 LYS HE2 H 1 3.01 0.05 . 1 . . . . . . . . . 5238 1 194 . 1 1 26 26 LYS HE3 H 1 3.01 0.05 . 1 . . . . . . . . . 5238 1 195 . 1 1 26 26 LYS N N 15 122.8 0.20 . 1 . . . . . . . . . 5238 1 196 . 1 1 27 27 CYS H H 1 9.08 0.05 . 1 . . . . . . . . . 5238 1 197 . 1 1 27 27 CYS HA H 1 5.49 0.05 . 1 . . . . . . . . . 5238 1 198 . 1 1 27 27 CYS HB2 H 1 3.34 0.05 . 1 . . . . . . . . . 5238 1 199 . 1 1 27 27 CYS HB3 H 1 2.67 0.05 . 1 . . . . . . . . . 5238 1 200 . 1 1 27 27 CYS N N 15 125.8 0.20 . 1 . . . . . . . . . 5238 1 201 . 1 1 28 28 SER H H 1 9.22 0.05 . 1 . . . . . . . . . 5238 1 202 . 1 1 28 28 SER HA H 1 4.99 0.05 . 1 . . . . . . . . . 5238 1 203 . 1 1 28 28 SER HB2 H 1 3.83 0.05 . 2 . . . . . . . . . 5238 1 204 . 1 1 28 28 SER HB3 H 1 3.89 0.05 . 2 . . . . . . . . . 5238 1 205 . 1 1 28 28 SER N N 15 118.0 0.20 . 1 . . . . . . . . . 5238 1 206 . 1 1 29 29 CYS H H 1 9.08 0.05 . 1 . . . . . . . . . 5238 1 207 . 1 1 29 29 CYS HA H 1 4.68 0.05 . 1 . . . . . . . . . 5238 1 208 . 1 1 29 29 CYS HB2 H 1 2.77 0.05 . 1 . . . . . . . . . 5238 1 209 . 1 1 29 29 CYS HB3 H 1 3.05 0.05 . 1 . . . . . . . . . 5238 1 210 . 1 1 29 29 CYS N N 15 120.2 0.20 . 1 . . . . . . . . . 5238 1 211 . 1 1 30 30 LYS H H 1 8.41 0.05 . 1 . . . . . . . . . 5238 1 212 . 1 1 30 30 LYS HA H 1 4.01 0.05 . 1 . . . . . . . . . 5238 1 213 . 1 1 30 30 LYS HB2 H 1 1.48 0.05 . 2 . . . . . . . . . 5238 1 214 . 1 1 30 30 LYS HB3 H 1 1.68 0.05 . 2 . . . . . . . . . 5238 1 215 . 1 1 30 30 LYS HG2 H 1 1.24 0.05 . 2 . . . . . . . . . 5238 1 216 . 1 1 30 30 LYS HG3 H 1 1.35 0.05 . 2 . . . . . . . . . 5238 1 217 . 1 1 30 30 LYS HD2 H 1 1.62 0.05 . 1 . . . . . . . . . 5238 1 218 . 1 1 30 30 LYS HD3 H 1 1.62 0.05 . 1 . . . . . . . . . 5238 1 219 . 1 1 30 30 LYS HE2 H 1 2.90 0.05 . 1 . . . . . . . . . 5238 1 220 . 1 1 30 30 LYS HE3 H 1 2.90 0.05 . 1 . . . . . . . . . 5238 1 221 . 1 1 30 30 LYS N N 15 123.3 0.20 . 1 . . . . . . . . . 5238 1 222 . 1 1 31 31 ASN H H 1 8.36 0.05 . 1 . . . . . . . . . 5238 1 223 . 1 1 31 31 ASN HA H 1 4.62 0.05 . 1 . . . . . . . . . 5238 1 224 . 1 1 31 31 ASN HB2 H 1 2.52 0.05 . 2 . . . . . . . . . 5238 1 225 . 1 1 31 31 ASN HB3 H 1 2.60 0.05 . 2 . . . . . . . . . 5238 1 226 . 1 1 31 31 ASN HD22 H 1 6.72 0.05 . 1 . . . . . . . . . 5238 1 227 . 1 1 31 31 ASN HD21 H 1 7.45 0.05 . 1 . . . . . . . . . 5238 1 228 . 1 1 31 31 ASN N N 15 117.2 0.20 . 1 . . . . . . . . . 5238 1 229 . 1 1 31 31 ASN ND2 N 15 111.9 0.05 . 1 . . . . . . . . . 5238 1 230 . 1 1 32 32 THR H H 1 7.26 0.05 . 1 . . . . . . . . . 5238 1 231 . 1 1 32 32 THR HA H 1 4.54 0.05 . 1 . . . . . . . . . 5238 1 232 . 1 1 32 32 THR HB H 1 4.52 0.05 . 1 . . . . . . . . . 5238 1 233 . 1 1 32 32 THR HG21 H 1 1.20 0.05 . 1 . . . . . . . . . 5238 1 234 . 1 1 32 32 THR HG22 H 1 1.20 0.05 . 1 . . . . . . . . . 5238 1 235 . 1 1 32 32 THR HG23 H 1 1.20 0.05 . 1 . . . . . . . . . 5238 1 236 . 1 1 32 32 THR N N 15 107.9 0.20 . 1 . . . . . . . . . 5238 1 237 . 1 1 33 33 ASP H H 1 8.96 0.05 . 1 . . . . . . . . . 5238 1 238 . 1 1 33 33 ASP HA H 1 4.31 0.05 . 1 . . . . . . . . . 5238 1 239 . 1 1 33 33 ASP HB2 H 1 2.64 0.05 . 2 . . . . . . . . . 5238 1 240 . 1 1 33 33 ASP HB3 H 1 2.73 0.05 . 2 . . . . . . . . . 5238 1 241 . 1 1 33 33 ASP N N 15 121.1 0.20 . 1 . . . . . . . . . 5238 1 242 . 1 1 34 34 SER H H 1 8.44 0.05 . 1 . . . . . . . . . 5238 1 243 . 1 1 34 34 SER HA H 1 4.11 0.05 . 1 . . . . . . . . . 5238 1 244 . 1 1 34 34 SER HB2 H 1 3.89 0.05 . 1 . . . . . . . . . 5238 1 245 . 1 1 34 34 SER HB3 H 1 3.89 0.05 . 1 . . . . . . . . . 5238 1 246 . 1 1 34 34 SER N N 15 113.8 0.20 . 1 . . . . . . . . . 5238 1 247 . 1 1 35 35 ARG H H 1 7.85 0.05 . 1 . . . . . . . . . 5238 1 248 . 1 1 35 35 ARG HA H 1 4.12 0.05 . 1 . . . . . . . . . 5238 1 249 . 1 1 35 35 ARG HB2 H 1 1.93 0.05 . 1 . . . . . . . . . 5238 1 250 . 1 1 35 35 ARG HB3 H 1 1.93 0.05 . 1 . . . . . . . . . 5238 1 251 . 1 1 35 35 ARG HG2 H 1 1.93 0.05 . 2 . . . . . . . . . 5238 1 252 . 1 1 35 35 ARG HG3 H 1 1.70 0.05 . 2 . . . . . . . . . 5238 1 253 . 1 1 35 35 ARG HD2 H 1 3.26 0.05 . 1 . . . . . . . . . 5238 1 254 . 1 1 35 35 ARG HD3 H 1 3.26 0.05 . 1 . . . . . . . . . 5238 1 255 . 1 1 35 35 ARG N N 15 122.4 0.20 . 1 . . . . . . . . . 5238 1 256 . 1 1 36 36 CYS H H 1 7.87 0.05 . 1 . . . . . . . . . 5238 1 257 . 1 1 36 36 CYS HA H 1 4.43 0.05 . 1 . . . . . . . . . 5238 1 258 . 1 1 36 36 CYS HB2 H 1 2.71 0.05 . 1 . . . . . . . . . 5238 1 259 . 1 1 36 36 CYS HB3 H 1 2.53 0.05 . 1 . . . . . . . . . 5238 1 260 . 1 1 36 36 CYS N N 15 116.3 0.20 . 1 . . . . . . . . . 5238 1 261 . 1 1 37 37 LYS H H 1 8.94 0.05 . 1 . . . . . . . . . 5238 1 262 . 1 1 37 37 LYS HA H 1 4.26 0.05 . 1 . . . . . . . . . 5238 1 263 . 1 1 37 37 LYS HB2 H 1 1.81 0.05 . 2 . . . . . . . . . 5238 1 264 . 1 1 37 37 LYS HB3 H 1 1.93 0.05 . 2 . . . . . . . . . 5238 1 265 . 1 1 37 37 LYS HE2 H 1 3.04 0.05 . 1 . . . . . . . . . 5238 1 266 . 1 1 37 37 LYS HE3 H 1 3.04 0.05 . 1 . . . . . . . . . 5238 1 267 . 1 1 37 37 LYS N N 15 123.5 0.20 . 1 . . . . . . . . . 5238 1 268 . 1 1 38 38 ALA H H 1 7.70 0.05 . 1 . . . . . . . . . 5238 1 269 . 1 1 38 38 ALA HA H 1 4.26 0.05 . 1 . . . . . . . . . 5238 1 270 . 1 1 38 38 ALA HB1 H 1 1.52 0.05 . 1 . . . . . . . . . 5238 1 271 . 1 1 38 38 ALA HB2 H 1 1.52 0.05 . 1 . . . . . . . . . 5238 1 272 . 1 1 38 38 ALA HB3 H 1 1.52 0.05 . 1 . . . . . . . . . 5238 1 273 . 1 1 38 38 ALA N N 15 122.7 0.20 . 1 . . . . . . . . . 5238 1 274 . 1 1 39 39 ARG H H 1 7.41 0.05 . 1 . . . . . . . . . 5238 1 275 . 1 1 39 39 ARG HA H 1 4.52 0.05 . 1 . . . . . . . . . 5238 1 276 . 1 1 39 39 ARG HB2 H 1 2.13 0.05 . 1 . . . . . . . . . 5238 1 277 . 1 1 39 39 ARG HB3 H 1 1.59 0.05 . 1 . . . . . . . . . 5238 1 278 . 1 1 39 39 ARG HG2 H 1 1.68 0.05 . 1 . . . . . . . . . 5238 1 279 . 1 1 39 39 ARG HG3 H 1 1.68 0.05 . 1 . . . . . . . . . 5238 1 280 . 1 1 39 39 ARG HD2 H 1 3.16 0.05 . 2 . . . . . . . . . 5238 1 281 . 1 1 39 39 ARG HD3 H 1 3.23 0.05 . 2 . . . . . . . . . 5238 1 282 . 1 1 39 39 ARG N N 15 115.7 0.20 . 1 . . . . . . . . . 5238 1 283 . 1 1 40 40 GLN H H 1 8.04 0.05 . 1 . . . . . . . . . 5238 1 284 . 1 1 40 40 GLN HA H 1 3.91 0.05 . 1 . . . . . . . . . 5238 1 285 . 1 1 40 40 GLN HB2 H 1 2.39 0.05 . 1 . . . . . . . . . 5238 1 286 . 1 1 40 40 GLN HB3 H 1 2.25 0.05 . 1 . . . . . . . . . 5238 1 287 . 1 1 40 40 GLN HG2 H 1 2.41 0.05 . 1 . . . . . . . . . 5238 1 288 . 1 1 40 40 GLN HG3 H 1 2.41 0.05 . 1 . . . . . . . . . 5238 1 289 . 1 1 40 40 GLN HE22 H 1 6.71 0.05 . 1 . . . . . . . . . 5238 1 290 . 1 1 40 40 GLN HE21 H 1 7.51 0.05 . 1 . . . . . . . . . 5238 1 291 . 1 1 40 40 GLN N N 15 113.0 0.20 . 1 . . . . . . . . . 5238 1 292 . 1 1 40 40 GLN NE2 N 15 111.9 0.05 . 1 . . . . . . . . . 5238 1 293 . 1 1 41 41 LEU H H 1 7.71 0.05 . 1 . . . . . . . . . 5238 1 294 . 1 1 41 41 LEU HA H 1 4.70 0.05 . 1 . . . . . . . . . 5238 1 295 . 1 1 41 41 LEU HB2 H 1 1.32 0.05 . 1 . . . . . . . . . 5238 1 296 . 1 1 41 41 LEU HB3 H 1 1.41 0.05 . 1 . . . . . . . . . 5238 1 297 . 1 1 41 41 LEU HG H 1 1.60 0.05 . 1 . . . . . . . . . 5238 1 298 . 1 1 41 41 LEU HD11 H 1 0.70 0.05 . 1 . . . . . . . . . 5238 1 299 . 1 1 41 41 LEU HD12 H 1 0.70 0.05 . 1 . . . . . . . . . 5238 1 300 . 1 1 41 41 LEU HD13 H 1 0.70 0.05 . 1 . . . . . . . . . 5238 1 301 . 1 1 41 41 LEU HD21 H 1 0.75 0.05 . 1 . . . . . . . . . 5238 1 302 . 1 1 41 41 LEU HD22 H 1 0.75 0.05 . 1 . . . . . . . . . 5238 1 303 . 1 1 41 41 LEU HD23 H 1 0.75 0.05 . 1 . . . . . . . . . 5238 1 304 . 1 1 41 41 LEU N N 15 118.2 0.20 . 1 . . . . . . . . . 5238 1 305 . 1 1 42 42 GLU H H 1 8.91 0.05 . 1 . . . . . . . . . 5238 1 306 . 1 1 42 42 GLU HA H 1 4.69 0.05 . 1 . . . . . . . . . 5238 1 307 . 1 1 42 42 GLU HB2 H 1 1.78 0.05 . 2 . . . . . . . . . 5238 1 308 . 1 1 42 42 GLU HB3 H 1 1.86 0.05 . 2 . . . . . . . . . 5238 1 309 . 1 1 42 42 GLU HG2 H 1 2.11 0.05 . 1 . . . . . . . . . 5238 1 310 . 1 1 42 42 GLU HG3 H 1 2.11 0.05 . 1 . . . . . . . . . 5238 1 311 . 1 1 42 42 GLU N N 15 118.0 0.20 . 1 . . . . . . . . . 5238 1 312 . 1 1 43 43 LEU H H 1 9.16 0.05 . 1 . . . . . . . . . 5238 1 313 . 1 1 43 43 LEU HA H 1 4.35 0.05 . 1 . . . . . . . . . 5238 1 314 . 1 1 43 43 LEU HB2 H 1 1.00 0.05 . 1 . . . . . . . . . 5238 1 315 . 1 1 43 43 LEU HB3 H 1 1.80 0.05 . 1 . . . . . . . . . 5238 1 316 . 1 1 43 43 LEU HG H 1 1.08 0.05 . 1 . . . . . . . . . 5238 1 317 . 1 1 43 43 LEU HD11 H 1 0.49 0.05 . 1 . . . . . . . . . 5238 1 318 . 1 1 43 43 LEU HD12 H 1 0.49 0.05 . 1 . . . . . . . . . 5238 1 319 . 1 1 43 43 LEU HD13 H 1 0.49 0.05 . 1 . . . . . . . . . 5238 1 320 . 1 1 43 43 LEU HD21 H 1 0.75 0.05 . 1 . . . . . . . . . 5238 1 321 . 1 1 43 43 LEU HD22 H 1 0.75 0.05 . 1 . . . . . . . . . 5238 1 322 . 1 1 43 43 LEU HD23 H 1 0.75 0.05 . 1 . . . . . . . . . 5238 1 323 . 1 1 43 43 LEU N N 15 126.4 0.20 . 1 . . . . . . . . . 5238 1 324 . 1 1 44 44 ASN H H 1 8.74 0.05 . 1 . . . . . . . . . 5238 1 325 . 1 1 44 44 ASN HA H 1 4.75 0.05 . 1 . . . . . . . . . 5238 1 326 . 1 1 44 44 ASN HB2 H 1 2.67 0.05 . 1 . . . . . . . . . 5238 1 327 . 1 1 44 44 ASN HB3 H 1 3.40 0.05 . 1 . . . . . . . . . 5238 1 328 . 1 1 44 44 ASN HD22 H 1 6.99 0.05 . 1 . . . . . . . . . 5238 1 329 . 1 1 44 44 ASN HD21 H 1 8.22 0.05 . 1 . . . . . . . . . 5238 1 330 . 1 1 44 44 ASN N N 15 128.2 0.20 . 1 . . . . . . . . . 5238 1 331 . 1 1 44 44 ASN ND2 N 15 115.1 0.05 . 1 . . . . . . . . . 5238 1 332 . 1 1 45 45 GLU H H 1 9.09 0.05 . 1 . . . . . . . . . 5238 1 333 . 1 1 45 45 GLU HA H 1 4.03 0.05 . 1 . . . . . . . . . 5238 1 334 . 1 1 45 45 GLU HB2 H 1 2.00 0.05 . 2 . . . . . . . . . 5238 1 335 . 1 1 45 45 GLU HB3 H 1 2.21 0.05 . 2 . . . . . . . . . 5238 1 336 . 1 1 45 45 GLU HG2 H 1 2.26 0.05 . 2 . . . . . . . . . 5238 1 337 . 1 1 45 45 GLU HG3 H 1 2.37 0.05 . 2 . . . . . . . . . 5238 1 338 . 1 1 45 45 GLU N N 15 125.2 0.20 . 1 . . . . . . . . . 5238 1 339 . 1 1 46 46 ARG H H 1 8.47 0.05 . 1 . . . . . . . . . 5238 1 340 . 1 1 46 46 ARG HA H 1 4.45 0.05 . 1 . . . . . . . . . 5238 1 341 . 1 1 46 46 ARG HB2 H 1 2.01 0.05 . 1 . . . . . . . . . 5238 1 342 . 1 1 46 46 ARG HB3 H 1 2.01 0.05 . 1 . . . . . . . . . 5238 1 343 . 1 1 46 46 ARG HG2 H 1 1.66 0.05 . 2 . . . . . . . . . 5238 1 344 . 1 1 46 46 ARG HG3 H 1 1.76 0.05 . 2 . . . . . . . . . 5238 1 345 . 1 1 46 46 ARG HD2 H 1 3.27 0.05 . 1 . . . . . . . . . 5238 1 346 . 1 1 46 46 ARG HD3 H 1 3.27 0.05 . 1 . . . . . . . . . 5238 1 347 . 1 1 46 46 ARG N N 15 116.5 0.20 . 1 . . . . . . . . . 5238 1 348 . 1 1 47 47 THR H H 1 7.47 0.05 . 1 . . . . . . . . . 5238 1 349 . 1 1 47 47 THR HA H 1 4.33 0.05 . 1 . . . . . . . . . 5238 1 350 . 1 1 47 47 THR HB H 1 4.30 0.05 . 1 . . . . . . . . . 5238 1 351 . 1 1 47 47 THR HG21 H 1 1.14 0.05 . 1 . . . . . . . . . 5238 1 352 . 1 1 47 47 THR HG22 H 1 1.14 0.05 . 1 . . . . . . . . . 5238 1 353 . 1 1 47 47 THR HG23 H 1 1.14 0.05 . 1 . . . . . . . . . 5238 1 354 . 1 1 47 47 THR N N 15 106.9 0.20 . 1 . . . . . . . . . 5238 1 355 . 1 1 48 48 CYS H H 1 8.50 0.05 . 1 . . . . . . . . . 5238 1 356 . 1 1 48 48 CYS HA H 1 4.36 0.05 . 1 . . . . . . . . . 5238 1 357 . 1 1 48 48 CYS HB2 H 1 2.68 0.05 . 1 . . . . . . . . . 5238 1 358 . 1 1 48 48 CYS HB3 H 1 3.26 0.05 . 1 . . . . . . . . . 5238 1 359 . 1 1 48 48 CYS N N 15 113.2 0.20 . 1 . . . . . . . . . 5238 1 360 . 1 1 49 49 ARG H H 1 7.77 0.05 . 1 . . . . . . . . . 5238 1 361 . 1 1 49 49 ARG HA H 1 4.48 0.05 . 1 . . . . . . . . . 5238 1 362 . 1 1 49 49 ARG HB2 H 1 1.61 0.05 . 1 . . . . . . . . . 5238 1 363 . 1 1 49 49 ARG HB3 H 1 1.82 0.05 . 1 . . . . . . . . . 5238 1 364 . 1 1 49 49 ARG HG2 H 1 1.65 0.05 . 1 . . . . . . . . . 5238 1 365 . 1 1 49 49 ARG HG3 H 1 1.65 0.05 . 1 . . . . . . . . . 5238 1 366 . 1 1 49 49 ARG HD2 H 1 3.19 0.05 . 1 . . . . . . . . . 5238 1 367 . 1 1 49 49 ARG HD3 H 1 3.19 0.05 . 1 . . . . . . . . . 5238 1 368 . 1 1 49 49 ARG N N 15 119.0 0.20 . 1 . . . . . . . . . 5238 1 369 . 1 1 50 50 CYS H H 1 8.58 0.05 . 1 . . . . . . . . . 5238 1 370 . 1 1 50 50 CYS HA H 1 5.09 0.05 . 1 . . . . . . . . . 5238 1 371 . 1 1 50 50 CYS HB2 H 1 2.68 0.05 . 1 . . . . . . . . . 5238 1 372 . 1 1 50 50 CYS HB3 H 1 2.80 0.05 . 1 . . . . . . . . . 5238 1 373 . 1 1 50 50 CYS N N 15 118.0 0.20 . 1 . . . . . . . . . 5238 1 374 . 1 1 51 51 ASP H H 1 9.32 0.05 . 1 . . . . . . . . . 5238 1 375 . 1 1 51 51 ASP HA H 1 4.95 0.05 . 1 . . . . . . . . . 5238 1 376 . 1 1 51 51 ASP HB2 H 1 2.54 0.05 . 2 . . . . . . . . . 5238 1 377 . 1 1 51 51 ASP HB3 H 1 2.80 0.05 . 2 . . . . . . . . . 5238 1 378 . 1 1 51 51 ASP N N 15 126.6 0.20 . 1 . . . . . . . . . 5238 1 379 . 1 1 52 52 LYS H H 1 8.66 0.05 . 1 . . . . . . . . . 5238 1 380 . 1 1 52 52 LYS HA H 1 4.47 0.05 . 1 . . . . . . . . . 5238 1 381 . 1 1 52 52 LYS HB2 H 1 1.67 0.05 . 2 . . . . . . . . . 5238 1 382 . 1 1 52 52 LYS HB3 H 1 1.79 0.05 . 2 . . . . . . . . . 5238 1 383 . 1 1 52 52 LYS HG2 H 1 1.51 0.05 . 2 . . . . . . . . . 5238 1 384 . 1 1 52 52 LYS HG3 H 1 1.55 0.05 . 2 . . . . . . . . . 5238 1 385 . 1 1 52 52 LYS HD2 H 1 1.73 0.05 . 1 . . . . . . . . . 5238 1 386 . 1 1 52 52 LYS HD3 H 1 1.73 0.05 . 1 . . . . . . . . . 5238 1 387 . 1 1 52 52 LYS HE2 H 1 3.02 0.05 . 1 . . . . . . . . . 5238 1 388 . 1 1 52 52 LYS HE3 H 1 3.02 0.05 . 1 . . . . . . . . . 5238 1 389 . 1 1 52 52 LYS N N 15 121.4 0.20 . 1 . . . . . . . . . 5238 1 390 . 1 1 53 53 PRO HA H 1 4.33 0.05 . 1 . . . . . . . . . 5238 1 391 . 1 1 53 53 PRO HB2 H 1 2.06 0.05 . 2 . . . . . . . . . 5238 1 392 . 1 1 53 53 PRO HB3 H 1 2.21 0.05 . 2 . . . . . . . . . 5238 1 393 . 1 1 53 53 PRO HG2 H 1 1.88 0.05 . 2 . . . . . . . . . 5238 1 394 . 1 1 53 53 PRO HG3 H 1 2.08 0.05 . 2 . . . . . . . . . 5238 1 395 . 1 1 53 53 PRO HD2 H 1 3.71 0.05 . 2 . . . . . . . . . 5238 1 396 . 1 1 53 53 PRO HD3 H 1 3.98 0.05 . 2 . . . . . . . . . 5238 1 397 . 1 1 54 54 ARG H H 1 8.53 0.05 . 1 . . . . . . . . . 5238 1 398 . 1 1 54 54 ARG HA H 1 4.29 0.05 . 1 . . . . . . . . . 5238 1 399 . 1 1 54 54 ARG HB2 H 1 1.77 0.05 . 2 . . . . . . . . . 5238 1 400 . 1 1 54 54 ARG HB3 H 1 1.86 0.05 . 2 . . . . . . . . . 5238 1 401 . 1 1 54 54 ARG HG2 H 1 1.69 0.05 . 1 . . . . . . . . . 5238 1 402 . 1 1 54 54 ARG HG3 H 1 1.69 0.05 . 1 . . . . . . . . . 5238 1 403 . 1 1 54 54 ARG HD2 H 1 3.21 0.05 . 1 . . . . . . . . . 5238 1 404 . 1 1 54 54 ARG HD3 H 1 3.21 0.05 . 1 . . . . . . . . . 5238 1 405 . 1 1 54 54 ARG N N 15 123.0 0.20 . 1 . . . . . . . . . 5238 1 406 . 1 1 55 55 ARG H H 1 7.93 0.05 . 1 . . . . . . . . . 5238 1 407 . 1 1 55 55 ARG HA H 1 4.18 0.05 . 1 . . . . . . . . . 5238 1 408 . 1 1 55 55 ARG HB2 H 1 1.70 0.05 . 2 . . . . . . . . . 5238 1 409 . 1 1 55 55 ARG HB3 H 1 1.83 0.05 . 2 . . . . . . . . . 5238 1 410 . 1 1 55 55 ARG HG2 H 1 1.55 0.05 . 1 . . . . . . . . . 5238 1 411 . 1 1 55 55 ARG HG3 H 1 1.55 0.05 . 1 . . . . . . . . . 5238 1 412 . 1 1 55 55 ARG HD2 H 1 3.19 0.05 . 1 . . . . . . . . . 5238 1 413 . 1 1 55 55 ARG HD3 H 1 3.19 0.05 . 1 . . . . . . . . . 5238 1 414 . 1 1 55 55 ARG N N 15 127.4 0.20 . 1 . . . . . . . . . 5238 1 stop_ save_