data_15309 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15309 _Entry.Title ; 1H Chemical Shift Assignments for Cardiotoxin A5 from Naja Atra at Neutral pH and temperature of 318K ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-17 _Entry.Accession_date 2007-06-17 _Entry.Last_release_date 2008-02-28 _Entry.Original_release_date 2008-02-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 Siu-Cin Tjong . . . 15309 2 Po-Long Wu . . . 15309 3 Chang-Mao Wang . . . 15309 4 Wei-Ning Huang . . . 15309 5 Nan-Lu Ho . . . 15309 6 Wen-Guey Wu . . . 15309 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 15309 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1073 15309 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 . . 2008-02-28 2007-06-17 original author . 15309 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15309 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17918958 _Citation.Full_citation . _Citation.Title 'Role of glycosphingolipid conformational change in membrane pore forming activity of cobra cardiotoxin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 43 _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 12111 _Citation.Page_last 12123 _Citation.Year 2007 _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 Siu-Cin Tjong . . . 15309 1 2 Po-Long Wu . . . 15309 1 3 Chang-Mao Wang . . . 15309 1 4 Wei-Ning Huang . . . 15309 1 5 Nan-Lu Ho . . . 15309 1 6 Wen-Guey Wu . . . 15309 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15309 _Assembly.ID 1 _Assembly.Name 'cardiotoxin A5' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 'cardiotoxin A5' 1 $CTX_A5 A . yes native no no . . . 15309 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 'cardiotoxin A5' 1 CYS 3 3 SG . 1 'cardiotoxin A5' 1 CYS 22 22 SG 1 'cardiotoxin A5' 3 cys SG 1 'cardiotoxin A5' 22 cys SG 15309 1 2 disulfide single . 1 'cardiotoxin A5' 1 CYS 15 15 SG . 1 'cardiotoxin A5' 1 CYS 40 40 SG 1 'cardiotoxin A5' 15 cys SG 1 'cardiotoxin A5' 40 cys SG 15309 1 3 disulfide single . 1 'cardiotoxin A5' 1 CYS 44 44 SG . 1 'cardiotoxin A5' 1 CYS 55 55 SG 1 'cardiotoxin A5' 44 cys SG 1 'cardiotoxin A5' 55 cys SG 15309 1 4 disulfide single . 1 'cardiotoxin A5' 1 CYS 56 56 SG . 1 'cardiotoxin A5' 1 CYS 61 61 SG 1 'cardiotoxin A5' 56 cys SG 1 'cardiotoxin A5' 61 cys SG 15309 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CTX_A5 _Entity.Sf_category entity _Entity.Sf_framecode CTX_A5 _Entity.Entry_ID 15309 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CTX_A5 _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 ; LKCHNTQLPFIYKTCPEGKN LCFKATLKKFPLKFPVKRGC ADNCPKNSALLKYVCCSTDK CN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 62 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1CVO . "The Solution Structure Of Cardiotoxin V From Naja Naja Atra" . . . . . 100.00 62 100.00 100.00 7.47e-35 . . . . 15309 1 2 no PDB 1KXI . "Structure Of Cytotoxin Homolog Precursor" . . . . . 100.00 62 100.00 100.00 7.47e-35 . . . . 15309 1 3 no EMBL CAA63979 . "cardiotoxin V-like protein [Naja naja]" . . . . . 100.00 83 98.39 100.00 4.30e-35 . . . . 15309 1 4 no EMBL CAA90964 . "cardiotoxin V [Naja naja]" . . . . . 100.00 83 100.00 100.00 1.77e-35 . . . . 15309 1 5 no EMBL CAB50697 . "snake venom [Naja atra]" . . . . . 100.00 83 98.39 100.00 3.07e-35 . . . . 15309 1 6 no GB AAB01540 . "cardiotoxin VII [Naja atra]" . . . . . 100.00 83 100.00 100.00 1.93e-35 . . . . 15309 1 7 no GB AAB03219 . "cardiotoxin 7'' [Naja atra]" . . . . . 100.00 83 100.00 100.00 1.93e-35 . . . . 15309 1 8 no GB AAB03220 . "cardiotoxin 7a [Naja atra]" . . . . . 100.00 83 98.39 100.00 7.25e-35 . . . . 15309 1 9 no GB AAB18387 . "cardiotoxin 7' [Naja atra]" . . . . . 100.00 83 100.00 100.00 1.93e-35 . . . . 15309 1 10 no GB AAB36928 . "cardiotoxin 7'' [Naja atra]" . . . . . 100.00 83 100.00 100.00 1.93e-35 . . . . 15309 1 11 no SP P62375 . "RecName: Full=Cytotoxin A5; AltName: Full=CTX A5; Short=CT A5; AltName: Full=Cardiotoxin A5; AltName: Full=Cardiotoxin V; Short" . . . . . 100.00 83 100.00 100.00 1.77e-35 . . . . 15309 1 12 no SP P62377 . "RecName: Full=Cytotoxin-like basic protein; Short=CLBP; AltName: Full=Less-cytotoxic basic polypeptide; Short=LCBP" . . . . . 100.00 62 100.00 100.00 7.47e-35 . . . . 15309 1 13 no SP Q91126 . "RecName: Full=Cardiotoxin 7a; Flags: Precursor" . . . . . 100.00 83 98.39 100.00 7.25e-35 . . . . 15309 1 14 no SP Q91137 . "RecName: Full=Cytotoxin homolog 5; AltName: Full=Cardiotoxin V-like; Flags: Precursor" . . . . . 100.00 83 98.39 100.00 4.30e-35 . . . . 15309 1 15 no SP Q91996 . "RecName: Full=Cardiotoxin 7''; AltName: Full=Cardiotoxin 7'; AltName: Full=Cardiotoxin VII; Flags: Precursor" . . . . . 100.00 83 100.00 100.00 1.93e-35 . . . . 15309 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 . LEU . 15309 1 2 . LYS . 15309 1 3 . CYS . 15309 1 4 . HIS . 15309 1 5 . ASN . 15309 1 6 . THR . 15309 1 7 . GLN . 15309 1 8 . LEU . 15309 1 9 . PRO . 15309 1 10 . PHE . 15309 1 11 . ILE . 15309 1 12 . TYR . 15309 1 13 . LYS . 15309 1 14 . THR . 15309 1 15 . CYS . 15309 1 16 . PRO . 15309 1 17 . GLU . 15309 1 18 . GLY . 15309 1 19 . LYS . 15309 1 20 . ASN . 15309 1 21 . LEU . 15309 1 22 . CYS . 15309 1 23 . PHE . 15309 1 24 . LYS . 15309 1 25 . ALA . 15309 1 26 . THR . 15309 1 27 . LEU . 15309 1 28 . LYS . 15309 1 29 . LYS . 15309 1 30 . PHE . 15309 1 31 . PRO . 15309 1 32 . LEU . 15309 1 33 . LYS . 15309 1 34 . PHE . 15309 1 35 . PRO . 15309 1 36 . VAL . 15309 1 37 . LYS . 15309 1 38 . ARG . 15309 1 39 . GLY . 15309 1 40 . CYS . 15309 1 41 . ALA . 15309 1 42 . ASP . 15309 1 43 . ASN . 15309 1 44 . CYS . 15309 1 45 . PRO . 15309 1 46 . LYS . 15309 1 47 . ASN . 15309 1 48 . SER . 15309 1 49 . ALA . 15309 1 50 . LEU . 15309 1 51 . LEU . 15309 1 52 . LYS . 15309 1 53 . TYR . 15309 1 54 . VAL . 15309 1 55 . CYS . 15309 1 56 . CYS . 15309 1 57 . SER . 15309 1 58 . THR . 15309 1 59 . ASP . 15309 1 60 . LYS . 15309 1 61 . CYS . 15309 1 62 . ASN . 15309 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 . LEU 1 1 15309 1 . LYS 2 2 15309 1 . CYS 3 3 15309 1 . HIS 4 4 15309 1 . ASN 5 5 15309 1 . THR 6 6 15309 1 . GLN 7 7 15309 1 . LEU 8 8 15309 1 . PRO 9 9 15309 1 . PHE 10 10 15309 1 . ILE 11 11 15309 1 . TYR 12 12 15309 1 . LYS 13 13 15309 1 . THR 14 14 15309 1 . CYS 15 15 15309 1 . PRO 16 16 15309 1 . GLU 17 17 15309 1 . GLY 18 18 15309 1 . LYS 19 19 15309 1 . ASN 20 20 15309 1 . LEU 21 21 15309 1 . CYS 22 22 15309 1 . PHE 23 23 15309 1 . LYS 24 24 15309 1 . ALA 25 25 15309 1 . THR 26 26 15309 1 . LEU 27 27 15309 1 . LYS 28 28 15309 1 . LYS 29 29 15309 1 . PHE 30 30 15309 1 . PRO 31 31 15309 1 . LEU 32 32 15309 1 . LYS 33 33 15309 1 . PHE 34 34 15309 1 . PRO 35 35 15309 1 . VAL 36 36 15309 1 . LYS 37 37 15309 1 . ARG 38 38 15309 1 . GLY 39 39 15309 1 . CYS 40 40 15309 1 . ALA 41 41 15309 1 . ASP 42 42 15309 1 . ASN 43 43 15309 1 . CYS 44 44 15309 1 . PRO 45 45 15309 1 . LYS 46 46 15309 1 . ASN 47 47 15309 1 . SER 48 48 15309 1 . ALA 49 49 15309 1 . LEU 50 50 15309 1 . LEU 51 51 15309 1 . LYS 52 52 15309 1 . TYR 53 53 15309 1 . VAL 54 54 15309 1 . CYS 55 55 15309 1 . CYS 56 56 15309 1 . SER 57 57 15309 1 . THR 58 58 15309 1 . ASP 59 59 15309 1 . LYS 60 60 15309 1 . CYS 61 61 15309 1 . ASN 62 62 15309 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 15309 _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 $CTX_A5 . 8656 organism . 'Naja atra' 'Chinese cobra' . . Eukaryota Metazoa Naja atra . . . . . . . . . . . . . . . . . . . . . 15309 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 15309 _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 $CTX_A5 . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15309 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CTX_A5_sample1 _Sample.Sf_category sample _Sample.Sf_framecode CTX_A5_sample1 _Sample.Entry_ID 15309 _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 'CTX A5' 'natural abundance' . . 1 $CTX_A5 . . 1 . . mM . . . . 15309 1 2 'phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 15309 1 stop_ save_ save_CTX_A5_in_DPC_micelle _Sample.Sf_category sample _Sample.Sf_framecode CTX_A5_in_DPC_micelle _Sample.Entry_ID 15309 _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 'CTX A5' 'natural abundance' . . 1 $CTX_A5 . . 1 . . mM . . . . 15309 2 2 DPC [U-2H] . . . . . . 50 . . mM . . . . 15309 2 3 'phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 15309 2 stop_ save_ save_CTX_A5_in_10%SGC_DPC_micelle _Sample.Sf_category sample _Sample.Sf_framecode CTX_A5_in_10%SGC_DPC_micelle _Sample.Entry_ID 15309 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CTX A5' 'natural abundance' . . 1 $CTX_A5 . . 1 . . mM . . . . 15309 3 2 SGC 'natural abundance' . . . . . . 5 . . mM . . . . 15309 3 3 DPC [U-2H] . . . . . . 45 . . mM . . . . 15309 3 4 'phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 15309 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 15309 _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' 10 . mM 15309 1 pH 6.0 . pH 15309 1 pressure 1 . atm 15309 1 temperature 318 . K 15309 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15309 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15309 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15309 1 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 15309 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15309 _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 DMX . 500 . . . 15309 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 15309 _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 NOESY' no . . . . . . . . . . 1 $CTX_A5_sample1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15309 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $CTX_A5_sample1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15309 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $CTX_A5_in_DPC_micelle isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15309 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $CTX_A5_in_10%SGC_DPC_micelle isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15309 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 15309 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15309 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 15309 _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 NOESY' . . . 15309 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 LEU HA H 1 4.177 0.01 . 1 . . . . 1 LEU HA . 15309 1 2 . 1 1 1 1 LEU HB2 H 1 1.485 0.01 . 1 . . . . 1 LEU HB2 . 15309 1 3 . 1 1 1 1 LEU HD21 H 1 0.738 0.01 . 2 . . . . 1 LEU HD2 . 15309 1 4 . 1 1 1 1 LEU HD22 H 1 0.738 0.01 . 2 . . . . 1 LEU HD2 . 15309 1 5 . 1 1 1 1 LEU HD23 H 1 0.738 0.01 . 2 . . . . 1 LEU HD2 . 15309 1 6 . 1 1 2 2 LYS H H 1 8.527 0.01 . 1 . . . . 2 LYS H . 15309 1 7 . 1 1 2 2 LYS HA H 1 5.298 0.01 . 1 . . . . 2 LYS HA . 15309 1 8 . 1 1 2 2 LYS HB2 H 1 1.371 0.01 . 1 . . . . 2 LYS HB2 . 15309 1 9 . 1 1 2 2 LYS HB3 H 1 1.241 0.01 . 1 . . . . 2 LYS HB3 . 15309 1 10 . 1 1 2 2 LYS HG2 H 1 1.208 0.01 . 1 . . . . 2 LYS HG2 . 15309 1 11 . 1 1 2 2 LYS HG3 H 1 1.207 0.01 . 1 . . . . 2 LYS HG3 . 15309 1 12 . 1 1 3 3 CYS H H 1 8.541 0.01 . 1 . . . . 3 CYS H . 15309 1 13 . 1 1 3 3 CYS HA H 1 4.952 0.01 . 1 . . . . 3 CYS HA . 15309 1 14 . 1 1 3 3 CYS HB2 H 1 2.917 0.01 . 2 . . . . 3 CYS HB2 . 15309 1 15 . 1 1 3 3 CYS HB3 H 1 2.364 0.01 . 2 . . . . 3 CYS HB3 . 15309 1 16 . 1 1 4 4 HIS H H 1 9.421 0.01 . 1 . . . . 4 HIS H . 15309 1 17 . 1 1 4 4 HIS HA H 1 5.035 0.01 . 1 . . . . 4 HIS HA . 15309 1 18 . 1 1 4 4 HIS HB2 H 1 3.397 0.01 . 2 . . . . 4 HIS HB2 . 15309 1 19 . 1 1 4 4 HIS HB3 H 1 2.606 0.01 . 2 . . . . 4 HIS HB3 . 15309 1 20 . 1 1 4 4 HIS HD1 H 1 7.977 0.01 . 4 . . . . 4 HIS HD1 . 15309 1 21 . 1 1 4 4 HIS HD2 H 1 7.002 0.01 . 4 . . . . 4 HIS HD2 . 15309 1 22 . 1 1 5 5 ASN H H 1 8.473 0.01 . 1 . . . . 5 ASN H . 15309 1 23 . 1 1 5 5 ASN HA H 1 5.085 0.01 . 1 . . . . 5 ASN HA . 15309 1 24 . 1 1 5 5 ASN HB2 H 1 3.111 0.01 . 2 . . . . 5 ASN HB2 . 15309 1 25 . 1 1 5 5 ASN HB3 H 1 2.189 0.01 . 2 . . . . 5 ASN HB3 . 15309 1 26 . 1 1 5 5 ASN HD21 H 1 7.386 0.01 . 2 . . . . 5 ASN HD21 . 15309 1 27 . 1 1 5 5 ASN HD22 H 1 6.504 0.01 . 2 . . . . 5 ASN HD22 . 15309 1 28 . 1 1 6 6 THR H H 1 8.557 0.01 . 1 . . . . 6 THR H . 15309 1 29 . 1 1 6 6 THR HA H 1 5.018 0.01 . 1 . . . . 6 THR HA . 15309 1 30 . 1 1 6 6 THR HB H 1 4.438 0.01 . 1 . . . . 6 THR HB . 15309 1 31 . 1 1 6 6 THR HG21 H 1 1.144 0.01 . 1 . . . . 6 THR HG2 . 15309 1 32 . 1 1 6 6 THR HG22 H 1 1.144 0.01 . 1 . . . . 6 THR HG2 . 15309 1 33 . 1 1 6 6 THR HG23 H 1 1.144 0.01 . 1 . . . . 6 THR HG2 . 15309 1 34 . 1 1 7 7 GLN HB2 H 1 2.355 0.01 . 2 . . . . 7 GLN HB2 . 15309 1 35 . 1 1 7 7 GLN HB3 H 1 1.716 0.01 . 2 . . . . 7 GLN HB3 . 15309 1 36 . 1 1 7 7 GLN HE21 H 1 7.709 0.01 . 1 . . . . 7 GLN HE21 . 15309 1 37 . 1 1 8 8 LEU H H 1 8.243 0.01 . 1 . . . . 8 LEU H . 15309 1 38 . 1 1 8 8 LEU HA H 1 4.422 0.01 . 1 . . . . 8 LEU HA . 15309 1 39 . 1 1 8 8 LEU HB2 H 1 1.568 0.01 . 2 . . . . 8 LEU HB2 . 15309 1 40 . 1 1 8 8 LEU HB3 H 1 1.45 0.01 . 2 . . . . 8 LEU HB3 . 15309 1 41 . 1 1 8 8 LEU HD11 H 1 0.917 0.01 . 2 . . . . 8 LEU HD1 . 15309 1 42 . 1 1 8 8 LEU HD12 H 1 0.917 0.01 . 2 . . . . 8 LEU HD1 . 15309 1 43 . 1 1 8 8 LEU HD13 H 1 0.917 0.01 . 2 . . . . 8 LEU HD1 . 15309 1 44 . 1 1 8 8 LEU HD21 H 1 0.829 0.01 . 2 . . . . 8 LEU HD2 . 15309 1 45 . 1 1 8 8 LEU HD22 H 1 0.829 0.01 . 2 . . . . 8 LEU HD2 . 15309 1 46 . 1 1 8 8 LEU HD23 H 1 0.829 0.01 . 2 . . . . 8 LEU HD2 . 15309 1 47 . 1 1 9 9 PRO HA H 1 4.135 0.01 . 1 . . . . 9 PRO HA . 15309 1 48 . 1 1 9 9 PRO HB2 H 1 1.765 0.01 . 2 . . . . 9 PRO HB2 . 15309 1 49 . 1 1 10 10 PHE H H 1 7.712 0.01 . 1 . . . . 10 PHE H . 15309 1 50 . 1 1 10 10 PHE HA H 1 4.3 0.01 . 1 . . . . 10 PHE HA . 15309 1 51 . 1 1 10 10 PHE HB2 H 1 3.358 0.01 . 1 . . . . 10 PHE HB2 . 15309 1 52 . 1 1 10 10 PHE HB3 H 1 3.357 0.01 . 1 . . . . 10 PHE HB3 . 15309 1 53 . 1 1 10 10 PHE HD1 H 1 7.301 0.01 . 1 . . . . 10 PHE HD1 . 15309 1 54 . 1 1 10 10 PHE HD2 H 1 7.301 0.01 . 1 . . . . 10 PHE HD2 . 15309 1 55 . 1 1 10 10 PHE HE1 H 1 7.431 0.01 . 1 . . . . 10 PHE HE1 . 15309 1 56 . 1 1 10 10 PHE HE2 H 1 7.431 0.01 . 1 . . . . 10 PHE HE2 . 15309 1 57 . 1 1 11 11 ILE H H 1 7.276 0.01 . 1 . . . . 11 ILE H . 15309 1 58 . 1 1 11 11 ILE HA H 1 4.155 0.01 . 1 . . . . 11 ILE HA . 15309 1 59 . 1 1 11 11 ILE HB H 1 1.733 0.01 . 1 . . . . 11 ILE HB . 15309 1 60 . 1 1 11 11 ILE HD11 H 1 0.885 0.01 . 1 . . . . 11 ILE HD1 . 15309 1 61 . 1 1 11 11 ILE HD12 H 1 0.885 0.01 . 1 . . . . 11 ILE HD1 . 15309 1 62 . 1 1 11 11 ILE HD13 H 1 0.885 0.01 . 1 . . . . 11 ILE HD1 . 15309 1 63 . 1 1 11 11 ILE HG12 H 1 1.202 0.01 . 1 . . . . 11 ILE HG12 . 15309 1 64 . 1 1 11 11 ILE HG13 H 1 1.202 0.01 . 1 . . . . 11 ILE HG13 . 15309 1 65 . 1 1 11 11 ILE HG21 H 1 0.988 0.01 . 1 . . . . 11 ILE HG2 . 15309 1 66 . 1 1 11 11 ILE HG22 H 1 0.988 0.01 . 1 . . . . 11 ILE HG2 . 15309 1 67 . 1 1 11 11 ILE HG23 H 1 0.988 0.01 . 1 . . . . 11 ILE HG2 . 15309 1 68 . 1 1 12 12 TYR H H 1 8.156 0.01 . 1 . . . . 12 TYR H . 15309 1 69 . 1 1 12 12 TYR HA H 1 5.317 0.01 . 1 . . . . 12 TYR HA . 15309 1 70 . 1 1 12 12 TYR HB2 H 1 2.53 0.01 . 1 . . . . 12 TYR HB2 . 15309 1 71 . 1 1 12 12 TYR HB3 H 1 2.53 0.01 . 1 . . . . 12 TYR HB3 . 15309 1 72 . 1 1 12 12 TYR HD1 H 1 6.771 0.01 . 1 . . . . 12 TYR HD1 . 15309 1 73 . 1 1 12 12 TYR HD2 H 1 6.771 0.01 . 1 . . . . 12 TYR HD2 . 15309 1 74 . 1 1 12 12 TYR HE1 H 1 6.856 0.01 . 1 . . . . 12 TYR HE1 . 15309 1 75 . 1 1 12 12 TYR HE2 H 1 6.856 0.01 . 1 . . . . 12 TYR HE2 . 15309 1 76 . 1 1 13 13 LYS H H 1 8.632 0.01 . 1 . . . . 13 LYS H . 15309 1 77 . 1 1 13 13 LYS HA H 1 4.724 0.01 . 1 . . . . 13 LYS HA . 15309 1 78 . 1 1 13 13 LYS HB2 H 1 1.67 0.01 . 1 . . . . 13 LYS HB2 . 15309 1 79 . 1 1 13 13 LYS HB3 H 1 1.67 0.01 . 1 . . . . 13 LYS HB3 . 15309 1 80 . 1 1 13 13 LYS HD2 H 1 1.815 0.01 . 1 . . . . 13 LYS HD2 . 15309 1 81 . 1 1 13 13 LYS HD3 H 1 1.815 0.01 . 1 . . . . 13 LYS HD3 . 15309 1 82 . 1 1 13 13 LYS HG2 H 1 1.36 0.01 . 2 . . . . 13 LYS HG2 . 15309 1 83 . 1 1 13 13 LYS HG3 H 1 1.217 0.01 . 2 . . . . 13 LYS HG3 . 15309 1 84 . 1 1 14 14 THR H H 1 8.686 0.01 . 1 . . . . 14 THR H . 15309 1 85 . 1 1 14 14 THR HA H 1 4.612 0.01 . 1 . . . . 14 THR HA . 15309 1 86 . 1 1 14 14 THR HB H 1 4.075 0.01 . 1 . . . . 14 THR HB . 15309 1 87 . 1 1 14 14 THR HG21 H 1 1.251 0.01 . 1 . . . . 14 THR HG2 . 15309 1 88 . 1 1 14 14 THR HG22 H 1 1.251 0.01 . 1 . . . . 14 THR HG2 . 15309 1 89 . 1 1 14 14 THR HG23 H 1 1.251 0.01 . 1 . . . . 14 THR HG2 . 15309 1 90 . 1 1 15 15 CYS H H 1 9.104 0.01 . 1 . . . . 15 CYS H . 15309 1 91 . 1 1 15 15 CYS HA H 1 4.912 0.01 . 1 . . . . 15 CYS HA . 15309 1 92 . 1 1 15 15 CYS HB2 H 1 3.431 0.01 . 2 . . . . 15 CYS HB2 . 15309 1 93 . 1 1 15 15 CYS HB3 H 1 2.854 0.01 . 2 . . . . 15 CYS HB3 . 15309 1 94 . 1 1 16 16 PRO HB2 H 1 2.421 0.01 . 2 . . . . 16 PRO HB2 . 15309 1 95 . 1 1 17 17 GLU H H 1 8.452 0.01 . 1 . . . . 17 GLU H . 15309 1 96 . 1 1 17 17 GLU HA H 1 4.013 0.01 . 1 . . . . 17 GLU HA . 15309 1 97 . 1 1 17 17 GLU HB2 H 1 2.001 0.01 . 2 . . . . 17 GLU HB2 . 15309 1 98 . 1 1 17 17 GLU HB3 H 1 1.957 0.01 . 2 . . . . 17 GLU HB3 . 15309 1 99 . 1 1 17 17 GLU HG2 H 1 2.308 0.01 . 1 . . . . 17 GLU HG . 15309 1 100 . 1 1 17 17 GLU HG3 H 1 2.308 0.01 . 1 . . . . 17 GLU HG . 15309 1 101 . 1 1 18 18 GLY H H 1 8.745 0.01 . 1 . . . . 18 GLY H . 15309 1 102 . 1 1 18 18 GLY HA2 H 1 4.316 0.01 . 2 . . . . 18 GLY HA2 . 15309 1 103 . 1 1 18 18 GLY HA3 H 1 3.681 0.01 . 2 . . . . 18 GLY HA3 . 15309 1 104 . 1 1 19 19 LYS H H 1 7.68 0.01 . 1 . . . . 19 LYS H . 15309 1 105 . 1 1 19 19 LYS HA H 1 4.354 0.01 . 1 . . . . 19 LYS HA . 15309 1 106 . 1 1 19 19 LYS HB2 H 1 1.397 0.01 . 1 . . . . 19 LYS HB2 . 15309 1 107 . 1 1 19 19 LYS HB3 H 1 1.397 0.01 . 1 . . . . 19 LYS HB3 . 15309 1 108 . 1 1 19 19 LYS HD2 H 1 1.984 0.01 . 1 . . . . 19 LYS HD2 . 15309 1 109 . 1 1 19 19 LYS HD3 H 1 1.984 0.01 . 1 . . . . 19 LYS HD3 . 15309 1 110 . 1 1 19 19 LYS HE2 H 1 2.959 0.01 . 1 . . . . 19 LYS HE2 . 15309 1 111 . 1 1 19 19 LYS HE3 H 1 2.959 0.01 . 1 . . . . 19 LYS HE3 . 15309 1 112 . 1 1 19 19 LYS HG2 H 1 1.145 0.01 . 1 . . . . 19 LYS HG2 . 15309 1 113 . 1 1 19 19 LYS HG3 H 1 1.145 0.01 . 1 . . . . 19 LYS HG3 . 15309 1 114 . 1 1 20 20 ASN H H 1 7.893 0.01 . 1 . . . . 20 ASN H . 15309 1 115 . 1 1 20 20 ASN HA H 1 4.867 0.01 . 1 . . . . 20 ASN HA . 15309 1 116 . 1 1 20 20 ASN HB2 H 1 2.941 0.01 . 2 . . . . 20 ASN HB2 . 15309 1 117 . 1 1 20 20 ASN HB3 H 1 2.701 0.01 . 2 . . . . 20 ASN HB3 . 15309 1 118 . 1 1 20 20 ASN HD21 H 1 7.458 0.01 . 2 . . . . 20 ASN HD21 . 15309 1 119 . 1 1 20 20 ASN HD22 H 1 6.827 0.01 . 2 . . . . 20 ASN HD22 . 15309 1 120 . 1 1 21 21 LEU H H 1 8.245 0.01 . 1 . . . . 21 LEU H . 15309 1 121 . 1 1 21 21 LEU HA H 1 4.858 0.01 . 1 . . . . 21 LEU HA . 15309 1 122 . 1 1 21 21 LEU HB3 H 1 1.56 0.01 . 2 . . . . 21 LEU HB3 . 15309 1 123 . 1 1 21 21 LEU HD11 H 1 0.796 0.01 . 2 . . . . 21 LEU HD1 . 15309 1 124 . 1 1 21 21 LEU HD12 H 1 0.796 0.01 . 2 . . . . 21 LEU HD1 . 15309 1 125 . 1 1 21 21 LEU HD13 H 1 0.796 0.01 . 2 . . . . 21 LEU HD1 . 15309 1 126 . 1 1 21 21 LEU HD21 H 1 0.733 0.01 . 2 . . . . 21 LEU HD2 . 15309 1 127 . 1 1 21 21 LEU HD22 H 1 0.733 0.01 . 2 . . . . 21 LEU HD2 . 15309 1 128 . 1 1 21 21 LEU HD23 H 1 0.733 0.01 . 2 . . . . 21 LEU HD2 . 15309 1 129 . 1 1 21 21 LEU HG H 1 1.409 0.01 . 1 . . . . 21 LEU HG . 15309 1 130 . 1 1 22 22 CYS H H 1 9.092 0.01 . 1 . . . . 22 CYS H . 15309 1 131 . 1 1 22 22 CYS HA H 1 6.011 0.01 . 1 . . . . 22 CYS HA . 15309 1 132 . 1 1 22 22 CYS HB2 H 1 3.162 0.01 . 2 . . . . 22 CYS HB2 . 15309 1 133 . 1 1 22 22 CYS HB3 H 1 2.979 0.01 . 2 . . . . 22 CYS HB3 . 15309 1 134 . 1 1 23 23 PHE H H 1 9.062 0.01 . 1 . . . . 23 PHE H . 15309 1 135 . 1 1 23 23 PHE HA H 1 6.223 0.01 . 1 . . . . 23 PHE HA . 15309 1 136 . 1 1 23 23 PHE HB2 H 1 3.238 0.01 . 2 . . . . 23 PHE HB2 . 15309 1 137 . 1 1 23 23 PHE HB3 H 1 2.903 0.01 . 2 . . . . 23 PHE HB3 . 15309 1 138 . 1 1 23 23 PHE HD1 H 1 6.89 0.01 . 1 . . . . 23 PHE HD1 . 15309 1 139 . 1 1 23 23 PHE HD2 H 1 6.889 0.01 . 1 . . . . 23 PHE HD2 . 15309 1 140 . 1 1 23 23 PHE HE1 H 1 7.221 0.01 . 1 . . . . 23 PHE HE1 . 15309 1 141 . 1 1 23 23 PHE HE2 H 1 7.222 0.01 . 1 . . . . 23 PHE HE2 . 15309 1 142 . 1 1 24 24 LYS H H 1 9.259 0.01 . 1 . . . . 24 LYS H . 15309 1 143 . 1 1 24 24 LYS HA H 1 5.02 0.01 . 1 . . . . 24 LYS HA . 15309 1 144 . 1 1 24 24 LYS HB2 H 1 1.723 0.01 . 1 . . . . 24 LYS HB2 . 15309 1 145 . 1 1 24 24 LYS HB3 H 1 1.723 0.01 . 1 . . . . 24 LYS HB3 . 15309 1 146 . 1 1 24 24 LYS HD2 H 1 1.956 0.01 . 1 . . . . 24 LYS HD2 . 15309 1 147 . 1 1 24 24 LYS HD3 H 1 1.956 0.01 . 1 . . . . 24 LYS HD3 . 15309 1 148 . 1 1 24 24 LYS HG2 H 1 1.479 0.01 . 2 . . . . 24 LYS HG2 . 15309 1 149 . 1 1 24 24 LYS HG3 H 1 1.405 0.01 . 2 . . . . 24 LYS HG3 . 15309 1 150 . 1 1 25 25 ALA H H 1 8.947 0.01 . 1 . . . . 25 ALA H . 15309 1 151 . 1 1 25 25 ALA HA H 1 5.383 0.01 . 1 . . . . 25 ALA HA . 15309 1 152 . 1 1 25 25 ALA HB1 H 1 0.953 0.01 . 1 . . . . 25 ALA HB . 15309 1 153 . 1 1 25 25 ALA HB2 H 1 0.953 0.01 . 1 . . . . 25 ALA HB . 15309 1 154 . 1 1 25 25 ALA HB3 H 1 0.953 0.01 . 1 . . . . 25 ALA HB . 15309 1 155 . 1 1 26 26 THR H H 1 8.877 0.01 . 1 . . . . 26 THR H . 15309 1 156 . 1 1 26 26 THR HA H 1 4.697 0.01 . 1 . . . . 26 THR HA . 15309 1 157 . 1 1 26 26 THR HB H 1 4.216 0.01 . 1 . . . . 26 THR HB . 15309 1 158 . 1 1 26 26 THR HG21 H 1 1.113 0.01 . 1 . . . . 26 THR HG2 . 15309 1 159 . 1 1 26 26 THR HG22 H 1 1.113 0.01 . 1 . . . . 26 THR HG2 . 15309 1 160 . 1 1 26 26 THR HG23 H 1 1.113 0.01 . 1 . . . . 26 THR HG2 . 15309 1 161 . 1 1 27 27 LEU H H 1 8.491 0.01 . 1 . . . . 27 LEU H . 15309 1 162 . 1 1 27 27 LEU HA H 1 4.583 0.01 . 1 . . . . 27 LEU HA . 15309 1 163 . 1 1 27 27 LEU HB2 H 1 1.81 0.01 . 2 . . . . 27 LEU HB2 . 15309 1 164 . 1 1 27 27 LEU HB3 H 1 1.693 0.01 . 2 . . . . 27 LEU HB3 . 15309 1 165 . 1 1 27 27 LEU HD11 H 1 0.981 0.01 . 2 . . . . 27 LEU HD1 . 15309 1 166 . 1 1 27 27 LEU HD12 H 1 0.981 0.01 . 2 . . . . 27 LEU HD1 . 15309 1 167 . 1 1 27 27 LEU HD13 H 1 0.981 0.01 . 2 . . . . 27 LEU HD1 . 15309 1 168 . 1 1 27 27 LEU HD21 H 1 0.919 0.01 . 2 . . . . 27 LEU HD2 . 15309 1 169 . 1 1 27 27 LEU HD22 H 1 0.919 0.01 . 2 . . . . 27 LEU HD2 . 15309 1 170 . 1 1 27 27 LEU HD23 H 1 0.919 0.01 . 2 . . . . 27 LEU HD2 . 15309 1 171 . 1 1 28 28 LYS H H 1 8.306 0.01 . 1 . . . . 28 LYS H . 15309 1 172 . 1 1 28 28 LYS HA H 1 3.864 0.01 . 1 . . . . 28 LYS HA . 15309 1 173 . 1 1 28 28 LYS HB2 H 1 1.558 0.01 . 1 . . . . 28 LYS HB2 . 15309 1 174 . 1 1 28 28 LYS HB3 H 1 1.558 0.01 . 1 . . . . 28 LYS HB3 . 15309 1 175 . 1 1 28 28 LYS HD2 H 1 1.743 0.01 . 1 . . . . 28 LYS HD2 . 15309 1 176 . 1 1 28 28 LYS HD3 H 1 1.743 0.01 . 1 . . . . 28 LYS HD3 . 15309 1 177 . 1 1 28 28 LYS HG2 H 1 1.269 0.01 . 1 . . . . 28 LYS HG2 . 15309 1 178 . 1 1 28 28 LYS HG3 H 1 1.269 0.01 . 1 . . . . 28 LYS HG3 . 15309 1 179 . 1 1 29 29 LYS H H 1 8.409 0.01 . 1 . . . . 29 LYS H . 15309 1 180 . 1 1 29 29 LYS HA H 1 3.99 0.01 . 1 . . . . 29 LYS HA . 15309 1 181 . 1 1 29 29 LYS HB2 H 1 1.556 0.01 . 1 . . . . 29 LYS HB2 . 15309 1 182 . 1 1 29 29 LYS HB3 H 1 1.556 0.01 . 1 . . . . 29 LYS HB3 . 15309 1 183 . 1 1 29 29 LYS HE2 H 1 2.918 0.01 . 1 . . . . 29 LYS HE2 . 15309 1 184 . 1 1 29 29 LYS HE3 H 1 2.918 0.01 . 1 . . . . 29 LYS HE3 . 15309 1 185 . 1 1 29 29 LYS HG2 H 1 1.48 0.01 . 1 . . . . 29 LYS HG2 . 15309 1 186 . 1 1 29 29 LYS HG3 H 1 1.48 0.01 . 1 . . . . 29 LYS HG3 . 15309 1 187 . 1 1 30 30 PHE H H 1 7.024 0.01 . 1 . . . . 30 PHE H . 15309 1 188 . 1 1 30 30 PHE HA H 1 5.051 0.01 . 1 . . . . 30 PHE HA . 15309 1 189 . 1 1 30 30 PHE HB2 H 1 3.112 0.01 . 2 . . . . 30 PHE HB2 . 15309 1 190 . 1 1 30 30 PHE HB3 H 1 2.848 0.01 . 2 . . . . 30 PHE HB3 . 15309 1 191 . 1 1 30 30 PHE HE1 H 1 7.274 0.01 . 1 . . . . 30 PHE HE1 . 15309 1 192 . 1 1 30 30 PHE HE2 H 1 7.274 0.01 . 1 . . . . 30 PHE HE2 . 15309 1 193 . 1 1 32 32 LEU H H 1 8.059 0.01 . 1 . . . . 32 LEU H . 15309 1 194 . 1 1 32 32 LEU HA H 1 4.465 0.01 . 1 . . . . 32 LEU HA . 15309 1 195 . 1 1 32 32 LEU HB2 H 1 1.717 0.01 . 2 . . . . 32 LEU HB2 . 15309 1 196 . 1 1 32 32 LEU HB3 H 1 1.617 0.01 . 2 . . . . 32 LEU HB3 . 15309 1 197 . 1 1 32 32 LEU HD11 H 1 0.942 0.01 . 2 . . . . 32 LEU HD1 . 15309 1 198 . 1 1 32 32 LEU HD12 H 1 0.942 0.01 . 2 . . . . 32 LEU HD1 . 15309 1 199 . 1 1 32 32 LEU HD13 H 1 0.942 0.01 . 2 . . . . 32 LEU HD1 . 15309 1 200 . 1 1 32 32 LEU HD21 H 1 0.874 0.01 . 2 . . . . 32 LEU HD2 . 15309 1 201 . 1 1 32 32 LEU HD22 H 1 0.874 0.01 . 2 . . . . 32 LEU HD2 . 15309 1 202 . 1 1 32 32 LEU HD23 H 1 0.874 0.01 . 2 . . . . 32 LEU HD2 . 15309 1 203 . 1 1 33 33 LYS H H 1 7.63 0.01 . 1 . . . . 33 LYS H . 15309 1 204 . 1 1 33 33 LYS HA H 1 4.201 0.01 . 1 . . . . 33 LYS HA . 15309 1 205 . 1 1 33 33 LYS HB2 H 1 1.828 0.01 . 1 . . . . 33 LYS HB2 . 15309 1 206 . 1 1 33 33 LYS HB3 H 1 1.828 0.01 . 1 . . . . 33 LYS HB3 . 15309 1 207 . 1 1 34 34 PHE H H 1 7.598 0.01 . 1 . . . . 34 PHE H . 15309 1 208 . 1 1 34 34 PHE HA H 1 4.743 0.01 . 1 . . . . 34 PHE HA . 15309 1 209 . 1 1 34 34 PHE HB2 H 1 3.111 0.01 . 2 . . . . 34 PHE HB2 . 15309 1 210 . 1 1 34 34 PHE HB3 H 1 2.996 0.01 . 2 . . . . 34 PHE HB3 . 15309 1 211 . 1 1 34 34 PHE HD1 H 1 7.227 0.01 . 1 . . . . 34 PHE HD1 . 15309 1 212 . 1 1 34 34 PHE HD2 H 1 7.227 0.01 . 1 . . . . 34 PHE HD2 . 15309 1 213 . 1 1 34 34 PHE HE1 H 1 7.311 0.01 . 1 . . . . 34 PHE HE1 . 15309 1 214 . 1 1 34 34 PHE HE2 H 1 7.311 0.01 . 1 . . . . 34 PHE HE2 . 15309 1 215 . 1 1 36 36 VAL H H 1 8.156 0.01 . 1 . . . . 36 VAL H . 15309 1 216 . 1 1 36 36 VAL HA H 1 4.128 0.01 . 1 . . . . 36 VAL HA . 15309 1 217 . 1 1 36 36 VAL HB H 1 2.051 0.01 . 1 . . . . 36 VAL HB . 15309 1 218 . 1 1 36 36 VAL HG11 H 1 0.973 0.01 . 2 . . . . 36 VAL HG1 . 15309 1 219 . 1 1 36 36 VAL HG12 H 1 0.973 0.01 . 2 . . . . 36 VAL HG1 . 15309 1 220 . 1 1 36 36 VAL HG13 H 1 0.973 0.01 . 2 . . . . 36 VAL HG1 . 15309 1 221 . 1 1 36 36 VAL HG21 H 1 0.849 0.01 . 2 . . . . 36 VAL HG2 . 15309 1 222 . 1 1 36 36 VAL HG22 H 1 0.849 0.01 . 2 . . . . 36 VAL HG2 . 15309 1 223 . 1 1 36 36 VAL HG23 H 1 0.849 0.01 . 2 . . . . 36 VAL HG2 . 15309 1 224 . 1 1 37 37 LYS H H 1 7.343 0.01 . 1 . . . . 37 LYS H . 15309 1 225 . 1 1 37 37 LYS HA H 1 4.543 0.01 . 1 . . . . 37 LYS HA . 15309 1 226 . 1 1 37 37 LYS HB3 H 1 1.562 0.01 . 2 . . . . 37 LYS HB3 . 15309 1 227 . 1 1 37 37 LYS HD2 H 1 1.928 0.01 . 1 . . . . 37 LYS HD2 . 15309 1 228 . 1 1 37 37 LYS HD3 H 1 1.928 0.01 . 1 . . . . 37 LYS HD3 . 15309 1 229 . 1 1 37 37 LYS HE2 H 1 3.07 0.01 . 1 . . . . 37 LYS HE2 . 15309 1 230 . 1 1 37 37 LYS HG2 H 1 1.835 0.01 . 1 . . . . 37 LYS HG2 . 15309 1 231 . 1 1 37 37 LYS HG3 H 1 1.835 0.01 . 1 . . . . 37 LYS HG3 . 15309 1 232 . 1 1 38 38 ARG H H 1 8.623 0.01 . 1 . . . . 38 ARG H . 15309 1 233 . 1 1 38 38 ARG HA H 1 4.301 0.01 . 1 . . . . 38 ARG HA . 15309 1 234 . 1 1 38 38 ARG HB2 H 1 1.707 0.01 . 2 . . . . 38 ARG HB2 . 15309 1 235 . 1 1 38 38 ARG HB3 H 1 1.616 0.01 . 2 . . . . 38 ARG HB3 . 15309 1 236 . 1 1 38 38 ARG HD2 H 1 3.117 0.01 . 2 . . . . 38 ARG HD2 . 15309 1 237 . 1 1 38 38 ARG HD3 H 1 2.922 0.01 . 2 . . . . 38 ARG HD3 . 15309 1 238 . 1 1 38 38 ARG HE H 1 7.138 0.01 . 1 . . . . 38 ARG HE . 15309 1 239 . 1 1 38 38 ARG HG2 H 1 1.43 0.01 . 1 . . . . 38 ARG HG2 . 15309 1 240 . 1 1 38 38 ARG HG3 H 1 1.43 0.01 . 1 . . . . 38 ARG HG3 . 15309 1 241 . 1 1 39 39 GLY H H 1 6.299 0.01 . 1 . . . . 39 GLY H . 15309 1 242 . 1 1 39 39 GLY HA2 H 1 4.074 0.01 . 2 . . . . 39 GLY HA2 . 15309 1 243 . 1 1 39 39 GLY HA3 H 1 3.797 0.01 . 2 . . . . 39 GLY HA3 . 15309 1 244 . 1 1 40 40 CYS H H 1 8.863 0.01 . 1 . . . . 40 CYS H . 15309 1 245 . 1 1 40 40 CYS HA H 1 5.811 0.01 . 1 . . . . 40 CYS HA . 15309 1 246 . 1 1 40 40 CYS HB2 H 1 3.43 0.01 . 2 . . . . 40 CYS HB2 . 15309 1 247 . 1 1 40 40 CYS HB3 H 1 2.882 0.01 . 2 . . . . 40 CYS HB3 . 15309 1 248 . 1 1 41 41 ALA H H 1 9.713 0.01 . 1 . . . . 41 ALA H . 15309 1 249 . 1 1 41 41 ALA HA H 1 4.798 0.01 . 1 . . . . 41 ALA HA . 15309 1 250 . 1 1 41 41 ALA HB1 H 1 1.418 0.01 . 1 . . . . 41 ALA HB . 15309 1 251 . 1 1 41 41 ALA HB2 H 1 1.418 0.01 . 1 . . . . 41 ALA HB . 15309 1 252 . 1 1 41 41 ALA HB3 H 1 1.418 0.01 . 1 . . . . 41 ALA HB . 15309 1 253 . 1 1 42 42 ASP H H 1 8.484 0.01 . 1 . . . . 42 ASP H . 15309 1 254 . 1 1 42 42 ASP HA H 1 4.96 0.01 . 1 . . . . 42 ASP HA . 15309 1 255 . 1 1 42 42 ASP HB2 H 1 2.883 0.01 . 2 . . . . 42 ASP HB2 . 15309 1 256 . 1 1 42 42 ASP HB3 H 1 2.755 0.01 . 2 . . . . 42 ASP HB3 . 15309 1 257 . 1 1 43 43 ASN H H 1 8.107 0.01 . 1 . . . . 43 ASN H . 15309 1 258 . 1 1 43 43 ASN HA H 1 4.649 0.01 . 1 . . . . 43 ASN HA . 15309 1 259 . 1 1 43 43 ASN HB2 H 1 2.54 0.01 . 2 . . . . 43 ASN HB2 . 15309 1 260 . 1 1 43 43 ASN HB3 H 1 2.471 0.01 . 2 . . . . 43 ASN HB3 . 15309 1 261 . 1 1 43 43 ASN HD21 H 1 7.362 0.01 . 2 . . . . 43 ASN HD21 . 15309 1 262 . 1 1 43 43 ASN HD22 H 1 6.732 0.01 . 2 . . . . 43 ASN HD22 . 15309 1 263 . 1 1 44 44 CYS H H 1 9.103 0.01 . 1 . . . . 44 CYS H . 15309 1 264 . 1 1 44 44 CYS HA H 1 4.589 0.01 . 1 . . . . 44 CYS HA . 15309 1 265 . 1 1 45 45 PRO HA H 1 3.86 0.01 . 1 . . . . 45 PRO HA . 15309 1 266 . 1 1 45 45 PRO HB2 H 1 1.442 0.01 . 2 . . . . 45 PRO HB2 . 15309 1 267 . 1 1 45 45 PRO HG3 H 1 0.543 0.01 . 2 . . . . 45 PRO HG3 . 15309 1 268 . 1 1 46 46 LYS H H 1 7.611 0.01 . 1 . . . . 46 LYS H . 15309 1 269 . 1 1 46 46 LYS HA H 1 4.125 0.01 . 1 . . . . 46 LYS HA . 15309 1 270 . 1 1 46 46 LYS HB2 H 1 1.656 0.01 . 1 . . . . 46 LYS HB2 . 15309 1 271 . 1 1 46 46 LYS HB3 H 1 1.656 0.01 . 1 . . . . 46 LYS HB3 . 15309 1 272 . 1 1 46 46 LYS HD2 H 1 1.774 0.01 . 1 . . . . 46 LYS HD2 . 15309 1 273 . 1 1 46 46 LYS HD3 H 1 1.774 0.01 . 1 . . . . 46 LYS HD3 . 15309 1 274 . 1 1 46 46 LYS HE2 H 1 3.015 0.01 . 1 . . . . 46 LYS HE2 . 15309 1 275 . 1 1 46 46 LYS HE3 H 1 3.015 0.01 . 1 . . . . 46 LYS HE3 . 15309 1 276 . 1 1 46 46 LYS HG2 H 1 1.502 0.01 . 1 . . . . 46 LYS HG2 . 15309 1 277 . 1 1 46 46 LYS HG3 H 1 1.502 0.01 . 1 . . . . 46 LYS HG3 . 15309 1 278 . 1 1 47 47 ASN H H 1 8.265 0.01 . 1 . . . . 47 ASN H . 15309 1 279 . 1 1 47 47 ASN HA H 1 4.89 0.01 . 1 . . . . 47 ASN HA . 15309 1 280 . 1 1 47 47 ASN HB2 H 1 3.064 0.01 . 2 . . . . 47 ASN HB2 . 15309 1 281 . 1 1 47 47 ASN HB3 H 1 2.904 0.01 . 2 . . . . 47 ASN HB3 . 15309 1 282 . 1 1 48 48 SER H H 1 8.989 0.01 . 1 . . . . 48 SER H . 15309 1 283 . 1 1 48 48 SER HA H 1 5.028 0.01 . 1 . . . . 48 SER HA . 15309 1 284 . 1 1 48 48 SER HB2 H 1 4.579 0.01 . 2 . . . . 48 SER HB2 . 15309 1 285 . 1 1 48 48 SER HB3 H 1 4.067 0.01 . 2 . . . . 48 SER HB3 . 15309 1 286 . 1 1 49 49 ALA H H 1 8.948 0.01 . 1 . . . . 49 ALA H . 15309 1 287 . 1 1 49 49 ALA HA H 1 4.573 0.01 . 1 . . . . 49 ALA HA . 15309 1 288 . 1 1 50 50 LEU H H 1 7.823 0.01 . 1 . . . . 50 LEU H . 15309 1 289 . 1 1 50 50 LEU HA H 1 4.582 0.01 . 1 . . . . 50 LEU HA . 15309 1 290 . 1 1 50 50 LEU HB2 H 1 1.648 0.01 . 1 . . . . 50 LEU HB2 . 15309 1 291 . 1 1 50 50 LEU HB3 H 1 1.648 0.01 . 1 . . . . 50 LEU HB3 . 15309 1 292 . 1 1 50 50 LEU HD11 H 1 0.946 0.01 . 2 . . . . 50 LEU HD1 . 15309 1 293 . 1 1 50 50 LEU HD12 H 1 0.946 0.01 . 2 . . . . 50 LEU HD1 . 15309 1 294 . 1 1 50 50 LEU HD13 H 1 0.946 0.01 . 2 . . . . 50 LEU HD1 . 15309 1 295 . 1 1 50 50 LEU HD21 H 1 0.884 0.01 . 2 . . . . 50 LEU HD2 . 15309 1 296 . 1 1 50 50 LEU HD22 H 1 0.884 0.01 . 2 . . . . 50 LEU HD2 . 15309 1 297 . 1 1 50 50 LEU HD23 H 1 0.884 0.01 . 2 . . . . 50 LEU HD2 . 15309 1 298 . 1 1 50 50 LEU HG H 1 1.569 0.01 . 1 . . . . 50 LEU HG . 15309 1 299 . 1 1 51 51 LEU H H 1 7.613 0.01 . 1 . . . . 51 LEU H . 15309 1 300 . 1 1 51 51 LEU HA H 1 5.075 0.01 . 1 . . . . 51 LEU HA . 15309 1 301 . 1 1 51 51 LEU HB2 H 1 1.703 0.01 . 1 . . . . 51 LEU HB2 . 15309 1 302 . 1 1 51 51 LEU HB3 H 1 1.703 0.01 . 1 . . . . 51 LEU HB3 . 15309 1 303 . 1 1 51 51 LEU HD11 H 1 0.773 0.01 . 2 . . . . 51 LEU HD1 . 15309 1 304 . 1 1 51 51 LEU HD12 H 1 0.773 0.01 . 2 . . . . 51 LEU HD1 . 15309 1 305 . 1 1 51 51 LEU HD13 H 1 0.773 0.01 . 2 . . . . 51 LEU HD1 . 15309 1 306 . 1 1 51 51 LEU HD21 H 1 0.608 0.01 . 2 . . . . 51 LEU HD2 . 15309 1 307 . 1 1 51 51 LEU HD22 H 1 0.608 0.01 . 2 . . . . 51 LEU HD2 . 15309 1 308 . 1 1 51 51 LEU HD23 H 1 0.608 0.01 . 2 . . . . 51 LEU HD2 . 15309 1 309 . 1 1 51 51 LEU HG H 1 1.402 0.01 . 1 . . . . 51 LEU HG . 15309 1 310 . 1 1 52 52 LYS H H 1 8.793 0.01 . 1 . . . . 52 LYS H . 15309 1 311 . 1 1 52 52 LYS HA H 1 4.604 0.01 . 1 . . . . 52 LYS HA . 15309 1 312 . 1 1 52 52 LYS HB2 H 1 1.466 0.01 . 2 . . . . 52 LYS HB2 . 15309 1 313 . 1 1 52 52 LYS HB3 H 1 1.401 0.01 . 2 . . . . 52 LYS HB3 . 15309 1 314 . 1 1 52 52 LYS HD2 H 1 1.699 0.01 . 1 . . . . 52 LYS HD2 . 15309 1 315 . 1 1 52 52 LYS HD3 H 1 1.699 0.01 . 1 . . . . 52 LYS HD3 . 15309 1 316 . 1 1 52 52 LYS HE2 H 1 2.924 0.01 . 1 . . . . 52 LYS HE2 . 15309 1 317 . 1 1 52 52 LYS HE3 H 1 2.924 0.01 . 1 . . . . 52 LYS HE3 . 15309 1 318 . 1 1 52 52 LYS HG2 H 1 1.18 0.01 . 1 . . . . 52 LYS HG2 . 15309 1 319 . 1 1 52 52 LYS HG3 H 1 1.18 0.01 . 1 . . . . 52 LYS HG3 . 15309 1 320 . 1 1 53 53 TYR H H 1 8.904 0.01 . 1 . . . . 53 TYR H . 15309 1 321 . 1 1 53 53 TYR HA H 1 5.376 0.01 . 1 . . . . 53 TYR HA . 15309 1 322 . 1 1 53 53 TYR HB2 H 1 2.974 0.01 . 2 . . . . 53 TYR HB2 . 15309 1 323 . 1 1 53 53 TYR HB3 H 1 2.6 0.01 . 2 . . . . 53 TYR HB3 . 15309 1 324 . 1 1 53 53 TYR HD1 H 1 6.813 0.01 . 1 . . . . 53 TYR HD1 . 15309 1 325 . 1 1 53 53 TYR HD2 H 1 6.813 0.01 . 1 . . . . 53 TYR HD2 . 15309 1 326 . 1 1 53 53 TYR HE1 H 1 6.456 0.01 . 1 . . . . 53 TYR HE1 . 15309 1 327 . 1 1 53 53 TYR HE2 H 1 6.456 0.01 . 1 . . . . 53 TYR HE2 . 15309 1 328 . 1 1 54 54 VAL H H 1 8.733 0.01 . 1 . . . . 54 VAL H . 15309 1 329 . 1 1 54 54 VAL HA H 1 4.575 0.01 . 1 . . . . 54 VAL HA . 15309 1 330 . 1 1 54 54 VAL HB H 1 1.982 0.01 . 1 . . . . 54 VAL HB . 15309 1 331 . 1 1 54 54 VAL HG21 H 1 1.015 0.01 . 2 . . . . 54 VAL HG2 . 15309 1 332 . 1 1 54 54 VAL HG22 H 1 1.015 0.01 . 2 . . . . 54 VAL HG2 . 15309 1 333 . 1 1 54 54 VAL HG23 H 1 1.015 0.01 . 2 . . . . 54 VAL HG2 . 15309 1 334 . 1 1 55 55 CYS H H 1 9.204 0.01 . 1 . . . . 55 CYS H . 15309 1 335 . 1 1 55 55 CYS HA H 1 5.924 0.01 . 1 . . . . 55 CYS HA . 15309 1 336 . 1 1 55 55 CYS HB2 H 1 3.733 0.01 . 2 . . . . 55 CYS HB2 . 15309 1 337 . 1 1 55 55 CYS HB3 H 1 3.078 0.01 . 2 . . . . 55 CYS HB3 . 15309 1 338 . 1 1 56 56 CYS H H 1 9.082 0.01 . 1 . . . . 56 CYS H . 15309 1 339 . 1 1 56 56 CYS HA H 1 5.122 0.01 . 1 . . . . 56 CYS HA . 15309 1 340 . 1 1 56 56 CYS HB2 H 1 3.592 0.01 . 2 . . . . 56 CYS HB2 . 15309 1 341 . 1 1 56 56 CYS HB3 H 1 3.455 0.01 . 2 . . . . 56 CYS HB3 . 15309 1 342 . 1 1 57 57 SER H H 1 8.959 0.01 . 1 . . . . 57 SER H . 15309 1 343 . 1 1 57 57 SER HA H 1 4.96 0.01 . 1 . . . . 57 SER HA . 15309 1 344 . 1 1 57 57 SER HB2 H 1 4.257 0.01 . 2 . . . . 57 SER HB2 . 15309 1 345 . 1 1 57 57 SER HB3 H 1 3.85 0.01 . 2 . . . . 57 SER HB3 . 15309 1 346 . 1 1 58 58 THR H H 1 7.494 0.01 . 1 . . . . 58 THR H . 15309 1 347 . 1 1 58 58 THR HA H 1 4.692 0.01 . 1 . . . . 58 THR HA . 15309 1 348 . 1 1 58 58 THR HB H 1 4.262 0.01 . 1 . . . . 58 THR HB . 15309 1 349 . 1 1 58 58 THR HG21 H 1 1.192 0.01 . 1 . . . . 58 THR HG2 . 15309 1 350 . 1 1 58 58 THR HG22 H 1 1.192 0.01 . 1 . . . . 58 THR HG2 . 15309 1 351 . 1 1 58 58 THR HG23 H 1 1.192 0.01 . 1 . . . . 58 THR HG2 . 15309 1 352 . 1 1 59 59 ASP H H 1 8.181 0.01 . 1 . . . . 59 ASP H . 15309 1 353 . 1 1 59 59 ASP HA H 1 4.656 0.01 . 1 . . . . 59 ASP HA . 15309 1 354 . 1 1 59 59 ASP HB2 H 1 2.503 0.01 . 2 . . . . 59 ASP HB2 . 15309 1 355 . 1 1 59 59 ASP HB3 H 1 2.164 0.01 . 2 . . . . 59 ASP HB3 . 15309 1 356 . 1 1 60 60 LYS H H 1 9.398 0.01 . 1 . . . . 60 LYS H . 15309 1 357 . 1 1 60 60 LYS HA H 1 2.922 0.01 . 1 . . . . 60 LYS HA . 15309 1 358 . 1 1 60 60 LYS HB2 H 1 1.258 0.01 . 1 . . . . 60 LYS HB2 . 15309 1 359 . 1 1 60 60 LYS HB3 H 1 1.258 0.01 . 1 . . . . 60 LYS HB3 . 15309 1 360 . 1 1 60 60 LYS HD2 H 1 1.758 0.01 . 2 . . . . 60 LYS HD2 . 15309 1 361 . 1 1 60 60 LYS HD3 H 1 1.726 0.01 . 2 . . . . 60 LYS HD3 . 15309 1 362 . 1 1 60 60 LYS HG2 H 1 0.648 0.01 . 2 . . . . 60 LYS HG2 . 15309 1 363 . 1 1 60 60 LYS HG3 H 1 0.269 0.01 . 2 . . . . 60 LYS HG3 . 15309 1 364 . 1 1 61 61 CYS H H 1 7.524 0.01 . 1 . . . . 61 CYS H . 15309 1 365 . 1 1 61 61 CYS HA H 1 4.507 0.01 . 1 . . . . 61 CYS HA . 15309 1 366 . 1 1 61 61 CYS HB2 H 1 3.636 0.01 . 2 . . . . 61 CYS HB2 . 15309 1 367 . 1 1 61 61 CYS HB3 H 1 3.395 0.01 . 2 . . . . 61 CYS HB3 . 15309 1 368 . 1 1 62 62 ASN H H 1 8.535 0.01 . 1 . . . . 62 ASN H . 15309 1 369 . 1 1 62 62 ASN HA H 1 4.401 0.01 . 1 . . . . 62 ASN HA . 15309 1 370 . 1 1 62 62 ASN HB2 H 1 2.901 0.01 . 2 . . . . 62 ASN HB2 . 15309 1 371 . 1 1 62 62 ASN HB3 H 1 2.358 0.01 . 2 . . . . 62 ASN HB3 . 15309 1 372 . 1 1 62 62 ASN HD21 H 1 8.098 0.01 . 2 . . . . 62 ASN HD21 . 15309 1 373 . 1 1 62 62 ASN HD22 H 1 7.706 0.01 . 2 . . . . 62 ASN HD22 . 15309 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 15309 _Assigned_chem_shift_list.ID 2 _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 3 '2D 1H-1H NOESY' . . . 15309 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 LEU HA H 1 4.167 0.01 . 1 . . . . 1 LEU HA . 15309 2 2 . 1 1 1 1 LEU HB2 H 1 1.47 0.01 . 1 . . . . 1 LEU HB2 . 15309 2 3 . 1 1 1 1 LEU HD21 H 1 0.718 0.01 . 2 . . . . 1 LEU HD2 . 15309 2 4 . 1 1 1 1 LEU HD22 H 1 0.718 0.01 . 2 . . . . 1 LEU HD2 . 15309 2 5 . 1 1 1 1 LEU HD23 H 1 0.718 0.01 . 2 . . . . 1 LEU HD2 . 15309 2 6 . 1 1 2 2 LYS H H 1 8.533 0.01 . 1 . . . . 2 LYS H . 15309 2 7 . 1 1 2 2 LYS HA H 1 5.316 0.01 . 1 . . . . 2 LYS HA . 15309 2 8 . 1 1 2 2 LYS HB2 H 1 1.391 0.01 . 1 . . . . 2 LYS HB2 . 15309 2 9 . 1 1 2 2 LYS HB3 H 1 1.238 0.01 . 1 . . . . 2 LYS HB3 . 15309 2 10 . 1 1 2 2 LYS HG2 H 1 1.199 0.01 . 1 . . . . 2 LYS HG2 . 15309 2 11 . 1 1 2 2 LYS HG3 H 1 1.199 0.01 . 1 . . . . 2 LYS HG3 . 15309 2 12 . 1 1 3 3 CYS H H 1 8.505 0.01 . 1 . . . . 3 CYS H . 15309 2 13 . 1 1 3 3 CYS HA H 1 4.923 0.01 . 1 . . . . 3 CYS HA . 15309 2 14 . 1 1 3 3 CYS HB2 H 1 2.882 0.01 . 1 . . . . 3 CYS HB2 . 15309 2 15 . 1 1 3 3 CYS HB3 H 1 2.333 0.01 . 1 . . . . 3 CYS HB3 . 15309 2 16 . 1 1 4 4 HIS H H 1 9.357 0.01 . 1 . . . . 4 HIS H . 15309 2 17 . 1 1 4 4 HIS HA H 1 5.134 0.01 . 1 . . . . 4 HIS HA . 15309 2 18 . 1 1 4 4 HIS HB2 H 1 3.415 0.01 . 2 . . . . 4 HIS HB2 . 15309 2 19 . 1 1 4 4 HIS HB3 H 1 2.585 0.01 . 2 . . . . 4 HIS HB3 . 15309 2 20 . 1 1 4 4 HIS HD1 H 1 7.909 0.01 . 1 . . . . 4 HIS HD1 . 15309 2 21 . 1 1 5 5 ASN H H 1 8.637 0.01 . 1 . . . . 5 ASN H . 15309 2 22 . 1 1 5 5 ASN HA H 1 5.111 0.01 . 1 . . . . 5 ASN HA . 15309 2 23 . 1 1 5 5 ASN HB2 H 1 3.109 0.01 . 2 . . . . 5 ASN HB2 . 15309 2 24 . 1 1 5 5 ASN HB3 H 1 2.132 0.01 . 2 . . . . 5 ASN HB3 . 15309 2 25 . 1 1 5 5 ASN HD21 H 1 7.347 0.01 . 2 . . . . 5 ASN HD21 . 15309 2 26 . 1 1 5 5 ASN HD22 H 1 6.452 0.01 . 2 . . . . 5 ASN HD22 . 15309 2 27 . 1 1 6 6 THR H H 1 8.545 0.01 . 1 . . . . 6 THR H . 15309 2 28 . 1 1 6 6 THR HA H 1 5.097 0.01 . 1 . . . . 6 THR HA . 15309 2 29 . 1 1 6 6 THR HB H 1 4.457 0.01 . 1 . . . . 6 THR HB . 15309 2 30 . 1 1 6 6 THR HG21 H 1 1.129 0.01 . 1 . . . . 6 THR HG2 . 15309 2 31 . 1 1 6 6 THR HG22 H 1 1.129 0.01 . 1 . . . . 6 THR HG2 . 15309 2 32 . 1 1 6 6 THR HG23 H 1 1.129 0.01 . 1 . . . . 6 THR HG2 . 15309 2 33 . 1 1 7 7 GLN H H 1 8.591 0.01 . 1 . . . . 7 GLN H . 15309 2 34 . 1 1 7 7 GLN HA H 1 4.231 0.01 . 1 . . . . 7 GLN HA . 15309 2 35 . 1 1 7 7 GLN HB2 H 1 2.216 0.01 . 2 . . . . 7 GLN HB2 . 15309 2 36 . 1 1 7 7 GLN HB3 H 1 1.985 0.01 . 2 . . . . 7 GLN HB3 . 15309 2 37 . 1 1 7 7 GLN HE21 H 1 7.696 0.01 . 2 . . . . 7 GLN HE21 . 15309 2 38 . 1 1 7 7 GLN HE22 H 1 6.851 0.01 . 2 . . . . 7 GLN HE22 . 15309 2 39 . 1 1 7 7 GLN HG2 H 1 2.354 0.01 . 1 . . . . 7 GLN HG . 15309 2 40 . 1 1 7 7 GLN HG3 H 1 2.354 0.01 . 1 . . . . 7 GLN HG . 15309 2 41 . 1 1 8 8 LEU H H 1 8.138 0.01 . 1 . . . . 8 LEU H . 15309 2 42 . 1 1 8 8 LEU HA H 1 4.412 0.01 . 1 . . . . 8 LEU HA . 15309 2 43 . 1 1 8 8 LEU HB3 H 1 1.424 0.01 . 2 . . . . 8 LEU HB3 . 15309 2 44 . 1 1 8 8 LEU HD11 H 1 0.947 0.01 . 2 . . . . 8 LEU HD1 . 15309 2 45 . 1 1 8 8 LEU HD12 H 1 0.947 0.01 . 2 . . . . 8 LEU HD1 . 15309 2 46 . 1 1 8 8 LEU HD13 H 1 0.947 0.01 . 2 . . . . 8 LEU HD1 . 15309 2 47 . 1 1 8 8 LEU HD21 H 1 0.88 0.01 . 2 . . . . 8 LEU HD2 . 15309 2 48 . 1 1 8 8 LEU HD22 H 1 0.88 0.01 . 2 . . . . 8 LEU HD2 . 15309 2 49 . 1 1 8 8 LEU HD23 H 1 0.88 0.01 . 2 . . . . 8 LEU HD2 . 15309 2 50 . 1 1 9 9 PRO HA H 1 4.187 0.01 . 1 . . . . 9 PRO HA . 15309 2 51 . 1 1 9 9 PRO HB2 H 1 1.776 0.01 . 2 . . . . 9 PRO HB2 . 15309 2 52 . 1 1 9 9 PRO HB3 H 1 1.712 0.01 . 2 . . . . 9 PRO HB3 . 15309 2 53 . 1 1 10 10 PHE H H 1 7.977 0.01 . 1 . . . . 10 PHE H . 15309 2 54 . 1 1 10 10 PHE HA H 1 4.368 0.01 . 1 . . . . 10 PHE HA . 15309 2 55 . 1 1 10 10 PHE HB2 H 1 3.539 0.01 . 2 . . . . 10 PHE HB2 . 15309 2 56 . 1 1 10 10 PHE HB3 H 1 3.3 0.01 . 2 . . . . 10 PHE HB3 . 15309 2 57 . 1 1 10 10 PHE HD1 H 1 7.292 0.01 . 1 . . . . 10 PHE HD1 . 15309 2 58 . 1 1 10 10 PHE HD2 H 1 7.292 0.01 . 1 . . . . 10 PHE HD2 . 15309 2 59 . 1 1 10 10 PHE HE1 H 1 7.349 0.01 . 1 . . . . 10 PHE HE1 . 15309 2 60 . 1 1 10 10 PHE HE2 H 1 7.349 0.01 . 1 . . . . 10 PHE HE2 . 15309 2 61 . 1 1 11 11 ILE H H 1 7.292 0.01 . 1 . . . . 11 ILE H . 15309 2 62 . 1 1 11 11 ILE HA H 1 3.987 0.01 . 1 . . . . 11 ILE HA . 15309 2 63 . 1 1 11 11 ILE HG21 H 1 1.078 0.01 . 1 . . . . 11 ILE HG2 . 15309 2 64 . 1 1 11 11 ILE HG22 H 1 1.078 0.01 . 1 . . . . 11 ILE HG2 . 15309 2 65 . 1 1 11 11 ILE HG23 H 1 1.078 0.01 . 1 . . . . 11 ILE HG2 . 15309 2 66 . 1 1 12 12 TYR H H 1 7.941 0.01 . 1 . . . . 12 TYR H . 15309 2 67 . 1 1 12 12 TYR HA H 1 5.383 0.01 . 1 . . . . 12 TYR HA . 15309 2 68 . 1 1 12 12 TYR HB2 H 1 2.507 0.01 . 1 . . . . 12 TYR HB2 . 15309 2 69 . 1 1 12 12 TYR HB3 H 1 2.507 0.01 . 1 . . . . 12 TYR HB3 . 15309 2 70 . 1 1 12 12 TYR HD1 H 1 6.776 0.01 . 1 . . . . 12 TYR HD1 . 15309 2 71 . 1 1 12 12 TYR HD2 H 1 6.776 0.01 . 1 . . . . 12 TYR HD2 . 15309 2 72 . 1 1 12 12 TYR HE1 H 1 6.94 0.01 . 1 . . . . 12 TYR HE1 . 15309 2 73 . 1 1 12 12 TYR HE2 H 1 6.94 0.01 . 1 . . . . 12 TYR HE2 . 15309 2 74 . 1 1 13 13 LYS H H 1 8.506 0.01 . 1 . . . . 13 LYS H . 15309 2 75 . 1 1 13 13 LYS HA H 1 4.717 0.01 . 1 . . . . 13 LYS HA . 15309 2 76 . 1 1 13 13 LYS HB2 H 1 1.622 0.01 . 1 . . . . 13 LYS HB2 . 15309 2 77 . 1 1 13 13 LYS HB3 H 1 1.622 0.01 . 1 . . . . 13 LYS HB3 . 15309 2 78 . 1 1 13 13 LYS HD2 H 1 1.856 0.01 . 1 . . . . 13 LYS HD2 . 15309 2 79 . 1 1 13 13 LYS HD3 H 1 1.856 0.01 . 1 . . . . 13 LYS HD3 . 15309 2 80 . 1 1 13 13 LYS HG2 H 1 1.331 0.01 . 2 . . . . 13 LYS HG2 . 15309 2 81 . 1 1 13 13 LYS HG3 H 1 1.197 0.01 . 2 . . . . 13 LYS HG3 . 15309 2 82 . 1 1 14 14 THR H H 1 8.69 0.01 . 1 . . . . 14 THR H . 15309 2 83 . 1 1 14 14 THR HA H 1 4.606 0.01 . 1 . . . . 14 THR HA . 15309 2 84 . 1 1 14 14 THR HB H 1 4.043 0.01 . 1 . . . . 14 THR HB . 15309 2 85 . 1 1 14 14 THR HG21 H 1 1.244 0.01 . 1 . . . . 14 THR HG2 . 15309 2 86 . 1 1 14 14 THR HG22 H 1 1.244 0.01 . 1 . . . . 14 THR HG2 . 15309 2 87 . 1 1 14 14 THR HG23 H 1 1.244 0.01 . 1 . . . . 14 THR HG2 . 15309 2 88 . 1 1 15 15 CYS H H 1 9.146 0.01 . 1 . . . . 15 CYS H . 15309 2 89 . 1 1 15 15 CYS HA H 1 4.904 0.01 . 1 . . . . 15 CYS HA . 15309 2 90 . 1 1 15 15 CYS HB2 H 1 3.402 0.01 . 2 . . . . 15 CYS HB2 . 15309 2 91 . 1 1 15 15 CYS HB3 H 1 2.841 0.01 . 2 . . . . 15 CYS HB3 . 15309 2 92 . 1 1 16 16 PRO HB2 H 1 2.413 0.01 . 2 . . . . 16 PRO HB2 . 15309 2 93 . 1 1 16 16 PRO HD2 H 1 3.94 0.01 . 2 . . . . 16 PRO HD2 . 15309 2 94 . 1 1 17 17 GLU H H 1 8.443 0.01 . 1 . . . . 17 GLU H . 15309 2 95 . 1 1 17 17 GLU HA H 1 3.998 0.01 . 1 . . . . 17 GLU HA . 15309 2 96 . 1 1 17 17 GLU HB2 H 1 1.994 0.01 . 2 . . . . 17 GLU HB2 . 15309 2 97 . 1 1 17 17 GLU HB3 H 1 1.945 0.01 . 2 . . . . 17 GLU HB3 . 15309 2 98 . 1 1 17 17 GLU HG2 H 1 2.296 0.01 . 1 . . . . 17 GLU HG . 15309 2 99 . 1 1 17 17 GLU HG3 H 1 2.296 0.01 . 1 . . . . 17 GLU HG . 15309 2 100 . 1 1 18 18 GLY H H 1 8.734 0.01 . 1 . . . . 18 GLY H . 15309 2 101 . 1 1 18 18 GLY HA2 H 1 4.3 0.01 . 2 . . . . 18 GLY HA2 . 15309 2 102 . 1 1 18 18 GLY HA3 H 1 3.672 0.01 . 2 . . . . 18 GLY HA3 . 15309 2 103 . 1 1 19 19 LYS H H 1 7.622 0.01 . 1 . . . . 19 LYS H . 15309 2 104 . 1 1 19 19 LYS HA H 1 4.327 0.01 . 1 . . . . 19 LYS HA . 15309 2 105 . 1 1 19 19 LYS HB2 H 1 1.382 0.01 . 1 . . . . 19 LYS HB2 . 15309 2 106 . 1 1 19 19 LYS HB3 H 1 1.382 0.01 . 1 . . . . 19 LYS HB3 . 15309 2 107 . 1 1 19 19 LYS HD2 H 1 1.96 0.01 . 1 . . . . 19 LYS HD2 . 15309 2 108 . 1 1 19 19 LYS HD3 H 1 1.96 0.01 . 1 . . . . 19 LYS HD3 . 15309 2 109 . 1 1 19 19 LYS HG2 H 1 1.138 0.01 . 1 . . . . 19 LYS HG2 . 15309 2 110 . 1 1 19 19 LYS HG3 H 1 1.138 0.01 . 1 . . . . 19 LYS HG3 . 15309 2 111 . 1 1 20 20 ASN H H 1 7.842 0.01 . 1 . . . . 20 ASN H . 15309 2 112 . 1 1 20 20 ASN HA H 1 4.848 0.01 . 1 . . . . 20 ASN HA . 15309 2 113 . 1 1 20 20 ASN HB2 H 1 2.921 0.01 . 2 . . . . 20 ASN HB2 . 15309 2 114 . 1 1 20 20 ASN HB3 H 1 2.696 0.01 . 2 . . . . 20 ASN HB3 . 15309 2 115 . 1 1 20 20 ASN HD21 H 1 7.37 0.01 . 2 . . . . 20 ASN HD21 . 15309 2 116 . 1 1 20 20 ASN HD22 H 1 6.844 0.01 . 2 . . . . 20 ASN HD22 . 15309 2 117 . 1 1 21 21 LEU H H 1 8.247 0.01 . 1 . . . . 21 LEU H . 15309 2 118 . 1 1 21 21 LEU HA H 1 4.831 0.01 . 1 . . . . 21 LEU HA . 15309 2 119 . 1 1 21 21 LEU HB3 H 1 1.553 0.01 . 2 . . . . 21 LEU HB3 . 15309 2 120 . 1 1 21 21 LEU HD11 H 1 0.784 0.01 . 2 . . . . 21 LEU HD1 . 15309 2 121 . 1 1 21 21 LEU HD12 H 1 0.784 0.01 . 2 . . . . 21 LEU HD1 . 15309 2 122 . 1 1 21 21 LEU HD13 H 1 0.784 0.01 . 2 . . . . 21 LEU HD1 . 15309 2 123 . 1 1 21 21 LEU HD21 H 1 0.727 0.01 . 2 . . . . 21 LEU HD2 . 15309 2 124 . 1 1 21 21 LEU HD22 H 1 0.727 0.01 . 2 . . . . 21 LEU HD2 . 15309 2 125 . 1 1 21 21 LEU HD23 H 1 0.727 0.01 . 2 . . . . 21 LEU HD2 . 15309 2 126 . 1 1 21 21 LEU HG H 1 1.417 0.01 . 1 . . . . 21 LEU HG . 15309 2 127 . 1 1 22 22 CYS H H 1 9.079 0.01 . 1 . . . . 22 CYS H . 15309 2 128 . 1 1 22 22 CYS HA H 1 5.958 0.01 . 1 . . . . 22 CYS HA . 15309 2 129 . 1 1 22 22 CYS HB2 H 1 3.163 0.01 . 2 . . . . 22 CYS HB2 . 15309 2 130 . 1 1 22 22 CYS HB3 H 1 2.944 0.01 . 2 . . . . 22 CYS HB3 . 15309 2 131 . 1 1 23 23 PHE H H 1 8.988 0.01 . 1 . . . . 23 PHE H . 15309 2 132 . 1 1 23 23 PHE HA H 1 6.201 0.01 . 1 . . . . 23 PHE HA . 15309 2 133 . 1 1 23 23 PHE HB2 H 1 3.211 0.01 . 2 . . . . 23 PHE HB2 . 15309 2 134 . 1 1 23 23 PHE HB3 H 1 2.883 0.01 . 2 . . . . 23 PHE HB3 . 15309 2 135 . 1 1 23 23 PHE HD1 H 1 6.889 0.01 . 1 . . . . 23 PHE HD1 . 15309 2 136 . 1 1 23 23 PHE HD2 H 1 6.889 0.01 . 1 . . . . 23 PHE HD2 . 15309 2 137 . 1 1 23 23 PHE HE1 H 1 7.184 0.01 . 1 . . . . 23 PHE HE1 . 15309 2 138 . 1 1 23 23 PHE HE2 H 1 7.184 0.01 . 1 . . . . 23 PHE HE2 . 15309 2 139 . 1 1 24 24 LYS H H 1 9.276 0.01 . 1 . . . . 24 LYS H . 15309 2 140 . 1 1 24 24 LYS HA H 1 4.982 0.01 . 1 . . . . 24 LYS HA . 15309 2 141 . 1 1 24 24 LYS HB2 H 1 1.71 0.01 . 1 . . . . 24 LYS HB2 . 15309 2 142 . 1 1 24 24 LYS HB3 H 1 1.71 0.01 . 1 . . . . 24 LYS HB3 . 15309 2 143 . 1 1 24 24 LYS HD2 H 1 1.936 0.01 . 1 . . . . 24 LYS HD2 . 15309 2 144 . 1 1 24 24 LYS HD3 H 1 1.936 0.01 . 1 . . . . 24 LYS HD3 . 15309 2 145 . 1 1 24 24 LYS HG2 H 1 1.396 0.01 . 1 . . . . 24 LYS HG2 . 15309 2 146 . 1 1 24 24 LYS HG3 H 1 1.396 0.01 . 1 . . . . 24 LYS HG3 . 15309 2 147 . 1 1 25 25 ALA H H 1 8.932 0.01 . 1 . . . . 25 ALA H . 15309 2 148 . 1 1 25 25 ALA HA H 1 5.494 0.01 . 1 . . . . 25 ALA HA . 15309 2 149 . 1 1 25 25 ALA HB1 H 1 0.853 0.01 . 1 . . . . 25 ALA HB . 15309 2 150 . 1 1 25 25 ALA HB2 H 1 0.853 0.01 . 1 . . . . 25 ALA HB . 15309 2 151 . 1 1 25 25 ALA HB3 H 1 0.853 0.01 . 1 . . . . 25 ALA HB . 15309 2 152 . 1 1 26 26 THR H H 1 8.785 0.01 . 1 . . . . 26 THR H . 15309 2 153 . 1 1 26 26 THR HA H 1 4.657 0.01 . 1 . . . . 26 THR HA . 15309 2 154 . 1 1 26 26 THR HB H 1 4.265 0.01 . 1 . . . . 26 THR HB . 15309 2 155 . 1 1 26 26 THR HG21 H 1 1.009 0.01 . 1 . . . . 26 THR HG2 . 15309 2 156 . 1 1 26 26 THR HG22 H 1 1.009 0.01 . 1 . . . . 26 THR HG2 . 15309 2 157 . 1 1 26 26 THR HG23 H 1 1.009 0.01 . 1 . . . . 26 THR HG2 . 15309 2 158 . 1 1 27 27 LEU H H 1 8.898 0.01 . 1 . . . . 27 LEU H . 15309 2 159 . 1 1 27 27 LEU HA H 1 4.591 0.01 . 1 . . . . 27 LEU HA . 15309 2 160 . 1 1 27 27 LEU HB2 H 1 1.851 0.01 . 2 . . . . 27 LEU HB2 . 15309 2 161 . 1 1 27 27 LEU HB3 H 1 1.682 0.01 . 2 . . . . 27 LEU HB3 . 15309 2 162 . 1 1 27 27 LEU HD11 H 1 0.832 0.01 . 2 . . . . 27 LEU HD1 . 15309 2 163 . 1 1 27 27 LEU HD12 H 1 0.832 0.01 . 2 . . . . 27 LEU HD1 . 15309 2 164 . 1 1 27 27 LEU HD13 H 1 0.832 0.01 . 2 . . . . 27 LEU HD1 . 15309 2 165 . 1 1 27 27 LEU HD21 H 1 0.788 0.01 . 2 . . . . 27 LEU HD2 . 15309 2 166 . 1 1 27 27 LEU HD22 H 1 0.788 0.01 . 2 . . . . 27 LEU HD2 . 15309 2 167 . 1 1 27 27 LEU HD23 H 1 0.788 0.01 . 2 . . . . 27 LEU HD2 . 15309 2 168 . 1 1 27 27 LEU HG H 1 1.607 0.01 . 1 . . . . 27 LEU HG . 15309 2 169 . 1 1 28 28 LYS H H 1 8.37 0.01 . 1 . . . . 28 LYS H . 15309 2 170 . 1 1 28 28 LYS HA H 1 3.96 0.01 . 1 . . . . 28 LYS HA . 15309 2 171 . 1 1 28 28 LYS HB2 H 1 1.571 0.01 . 1 . . . . 28 LYS HB2 . 15309 2 172 . 1 1 28 28 LYS HB3 H 1 1.571 0.01 . 1 . . . . 28 LYS HB3 . 15309 2 173 . 1 1 28 28 LYS HD2 H 1 1.774 0.01 . 1 . . . . 28 LYS HD2 . 15309 2 174 . 1 1 28 28 LYS HD3 H 1 1.774 0.01 . 1 . . . . 28 LYS HD3 . 15309 2 175 . 1 1 28 28 LYS HG2 H 1 1.293 0.01 . 1 . . . . 28 LYS HG2 . 15309 2 176 . 1 1 28 28 LYS HG3 H 1 1.293 0.01 . 1 . . . . 28 LYS HG3 . 15309 2 177 . 1 1 29 29 LYS H H 1 8.475 0.01 . 1 . . . . 29 LYS H . 15309 2 178 . 1 1 29 29 LYS HA H 1 4.087 0.01 . 1 . . . . 29 LYS HA . 15309 2 179 . 1 1 29 29 LYS HD2 H 1 1.609 0.01 . 1 . . . . 29 LYS HD2 . 15309 2 180 . 1 1 29 29 LYS HD3 H 1 1.609 0.01 . 1 . . . . 29 LYS HD3 . 15309 2 181 . 1 1 29 29 LYS HG2 H 1 1.437 0.01 . 1 . . . . 29 LYS HG2 . 15309 2 182 . 1 1 29 29 LYS HG3 H 1 1.437 0.01 . 1 . . . . 29 LYS HG3 . 15309 2 183 . 1 1 30 30 PHE H H 1 7.411 0.01 . 1 . . . . 30 PHE H . 15309 2 184 . 1 1 30 30 PHE HA H 1 4.932 0.01 . 1 . . . . 30 PHE HA . 15309 2 185 . 1 1 30 30 PHE HB2 H 1 3.022 0.01 . 2 . . . . 30 PHE HB2 . 15309 2 186 . 1 1 30 30 PHE HB3 H 1 2.695 0.01 . 2 . . . . 30 PHE HB3 . 15309 2 187 . 1 1 30 30 PHE HD1 H 1 7.529 0.01 . 1 . . . . 30 PHE HD1 . 15309 2 188 . 1 1 30 30 PHE HD2 H 1 7.529 0.01 . 1 . . . . 30 PHE HD2 . 15309 2 189 . 1 1 30 30 PHE HE1 H 1 7.321 0.01 . 1 . . . . 30 PHE HE1 . 15309 2 190 . 1 1 30 30 PHE HE2 H 1 7.321 0.01 . 1 . . . . 30 PHE HE2 . 15309 2 191 . 1 1 32 32 LEU H H 1 8.34 0.01 . 1 . . . . 32 LEU H . 15309 2 192 . 1 1 32 32 LEU HA H 1 4.53 0.01 . 1 . . . . 32 LEU HA . 15309 2 193 . 1 1 32 32 LEU HB2 H 1 1.823 0.01 . 2 . . . . 32 LEU HB2 . 15309 2 194 . 1 1 32 32 LEU HB3 H 1 1.68 0.01 . 2 . . . . 32 LEU HB3 . 15309 2 195 . 1 1 32 32 LEU HD11 H 1 1.01 0.01 . 2 . . . . 32 LEU HD1 . 15309 2 196 . 1 1 32 32 LEU HD12 H 1 1.01 0.01 . 2 . . . . 32 LEU HD1 . 15309 2 197 . 1 1 32 32 LEU HD13 H 1 1.01 0.01 . 2 . . . . 32 LEU HD1 . 15309 2 198 . 1 1 32 32 LEU HD21 H 1 0.922 0.01 . 2 . . . . 32 LEU HD2 . 15309 2 199 . 1 1 32 32 LEU HD22 H 1 0.922 0.01 . 2 . . . . 32 LEU HD2 . 15309 2 200 . 1 1 32 32 LEU HD23 H 1 0.922 0.01 . 2 . . . . 32 LEU HD2 . 15309 2 201 . 1 1 33 33 LYS H H 1 7.617 0.01 . 1 . . . . 33 LYS H . 15309 2 202 . 1 1 33 33 LYS HA H 1 4.188 0.01 . 1 . . . . 33 LYS HA . 15309 2 203 . 1 1 34 34 PHE H H 1 8.054 0.01 . 1 . . . . 34 PHE H . 15309 2 204 . 1 1 34 34 PHE HA H 1 4.78 0.01 . 1 . . . . 34 PHE HA . 15309 2 205 . 1 1 34 34 PHE HB3 H 1 2.999 0.01 . 2 . . . . 34 PHE HB3 . 15309 2 206 . 1 1 34 34 PHE HD1 H 1 7.031 0.01 . 1 . . . . 34 PHE HD1 . 15309 2 207 . 1 1 34 34 PHE HD2 H 1 7.031 0.01 . 1 . . . . 34 PHE HD2 . 15309 2 208 . 1 1 34 34 PHE HE1 H 1 7.102 0.01 . 1 . . . . 34 PHE HE1 . 15309 2 209 . 1 1 34 34 PHE HE2 H 1 7.102 0.01 . 1 . . . . 34 PHE HE2 . 15309 2 210 . 1 1 36 36 VAL H H 1 8.34 0.01 . 1 . . . . 36 VAL H . 15309 2 211 . 1 1 36 36 VAL HA H 1 3.969 0.01 . 1 . . . . 36 VAL HA . 15309 2 212 . 1 1 36 36 VAL HG11 H 1 0.927 0.01 . 2 . . . . 36 VAL HG1 . 15309 2 213 . 1 1 36 36 VAL HG12 H 1 0.927 0.01 . 2 . . . . 36 VAL HG1 . 15309 2 214 . 1 1 36 36 VAL HG13 H 1 0.927 0.01 . 2 . . . . 36 VAL HG1 . 15309 2 215 . 1 1 36 36 VAL HG21 H 1 0.83 0.01 . 2 . . . . 36 VAL HG2 . 15309 2 216 . 1 1 36 36 VAL HG22 H 1 0.83 0.01 . 2 . . . . 36 VAL HG2 . 15309 2 217 . 1 1 36 36 VAL HG23 H 1 0.83 0.01 . 2 . . . . 36 VAL HG2 . 15309 2 218 . 1 1 37 37 LYS H H 1 7.185 0.01 . 1 . . . . 37 LYS H . 15309 2 219 . 1 1 37 37 LYS HA H 1 4.446 0.01 . 1 . . . . 37 LYS HA . 15309 2 220 . 1 1 37 37 LYS HB3 H 1 1.557 0.01 . 2 . . . . 37 LYS HB3 . 15309 2 221 . 1 1 37 37 LYS HD2 H 1 1.942 0.01 . 1 . . . . 37 LYS HD2 . 15309 2 222 . 1 1 37 37 LYS HD3 H 1 1.942 0.01 . 1 . . . . 37 LYS HD3 . 15309 2 223 . 1 1 37 37 LYS HG2 H 1 1.798 0.01 . 1 . . . . 37 LYS HG2 . 15309 2 224 . 1 1 37 37 LYS HG3 H 1 1.798 0.01 . 1 . . . . 37 LYS HG3 . 15309 2 225 . 1 1 38 38 ARG H H 1 8.78 0.01 . 1 . . . . 38 ARG H . 15309 2 226 . 1 1 38 38 ARG HA H 1 4.263 0.01 . 1 . . . . 38 ARG HA . 15309 2 227 . 1 1 38 38 ARG HB3 H 1 1.564 0.01 . 2 . . . . 38 ARG HB3 . 15309 2 228 . 1 1 38 38 ARG HD2 H 1 3.115 0.01 . 2 . . . . 38 ARG HD2 . 15309 2 229 . 1 1 38 38 ARG HD3 H 1 2.946 0.01 . 2 . . . . 38 ARG HD3 . 15309 2 230 . 1 1 38 38 ARG HE H 1 7.272 0.01 . 1 . . . . 38 ARG HE . 15309 2 231 . 1 1 38 38 ARG HG2 H 1 1.44 0.01 . 1 . . . . 38 ARG HG2 . 15309 2 232 . 1 1 38 38 ARG HG3 H 1 1.44 0.01 . 1 . . . . 38 ARG HG3 . 15309 2 233 . 1 1 39 39 GLY H H 1 6.09 0.01 . 1 . . . . 39 GLY H . 15309 2 234 . 1 1 39 39 GLY HA2 H 1 4.024 0.01 . 2 . . . . 39 GLY HA2 . 15309 2 235 . 1 1 39 39 GLY HA3 H 1 3.71 0.01 . 2 . . . . 39 GLY HA3 . 15309 2 236 . 1 1 40 40 CYS H H 1 8.768 0.01 . 1 . . . . 40 CYS H . 15309 2 237 . 1 1 40 40 CYS HA H 1 5.777 0.01 . 1 . . . . 40 CYS HA . 15309 2 238 . 1 1 40 40 CYS HB2 H 1 3.404 0.01 . 2 . . . . 40 CYS HB2 . 15309 2 239 . 1 1 40 40 CYS HB3 H 1 2.873 0.01 . 2 . . . . 40 CYS HB3 . 15309 2 240 . 1 1 41 41 ALA H H 1 9.701 0.01 . 1 . . . . 41 ALA H . 15309 2 241 . 1 1 41 41 ALA HA H 1 4.793 0.01 . 1 . . . . 41 ALA HA . 15309 2 242 . 1 1 41 41 ALA HB1 H 1 1.439 0.01 . 1 . . . . 41 ALA HB . 15309 2 243 . 1 1 41 41 ALA HB2 H 1 1.439 0.01 . 1 . . . . 41 ALA HB . 15309 2 244 . 1 1 41 41 ALA HB3 H 1 1.439 0.01 . 1 . . . . 41 ALA HB . 15309 2 245 . 1 1 42 42 ASP H H 1 8.488 0.01 . 1 . . . . 42 ASP H . 15309 2 246 . 1 1 42 42 ASP HA H 1 4.954 0.01 . 1 . . . . 42 ASP HA . 15309 2 247 . 1 1 42 42 ASP HB2 H 1 2.887 0.01 . 2 . . . . 42 ASP HB2 . 15309 2 248 . 1 1 42 42 ASP HB3 H 1 2.762 0.01 . 2 . . . . 42 ASP HB3 . 15309 2 249 . 1 1 43 43 ASN H H 1 8.053 0.01 . 1 . . . . 43 ASN H . 15309 2 250 . 1 1 43 43 ASN HA H 1 4.654 0.01 . 1 . . . . 43 ASN HA . 15309 2 251 . 1 1 43 43 ASN HB2 H 1 2.53 0.01 . 2 . . . . 43 ASN HB2 . 15309 2 252 . 1 1 43 43 ASN HB3 H 1 2.452 0.01 . 2 . . . . 43 ASN HB3 . 15309 2 253 . 1 1 43 43 ASN HD21 H 1 7.352 0.01 . 2 . . . . 43 ASN HD21 . 15309 2 254 . 1 1 43 43 ASN HD22 H 1 6.727 0.01 . 2 . . . . 43 ASN HD22 . 15309 2 255 . 1 1 44 44 CYS H H 1 9.067 0.01 . 1 . . . . 44 CYS H . 15309 2 256 . 1 1 44 44 CYS HA H 1 4.578 0.01 . 1 . . . . 44 CYS HA . 15309 2 257 . 1 1 45 45 PRO HA H 1 3.829 0.01 . 1 . . . . 45 PRO HA . 15309 2 258 . 1 1 45 45 PRO HB2 H 1 1.37 0.01 . 2 . . . . 45 PRO HB2 . 15309 2 259 . 1 1 45 45 PRO HD2 H 1 3.601 0.01 . 2 . . . . 45 PRO HD2 . 15309 2 260 . 1 1 45 45 PRO HD3 H 1 2.75 0.01 . 2 . . . . 45 PRO HD3 . 15309 2 261 . 1 1 45 45 PRO HG2 H 1 1.19 0.01 . 2 . . . . 45 PRO HG2 . 15309 2 262 . 1 1 45 45 PRO HG3 H 1 0.477 0.01 . 2 . . . . 45 PRO HG3 . 15309 2 263 . 1 1 46 46 LYS H H 1 7.555 0.01 . 1 . . . . 46 LYS H . 15309 2 264 . 1 1 46 46 LYS HA H 1 4.102 0.01 . 1 . . . . 46 LYS HA . 15309 2 265 . 1 1 46 46 LYS HB2 H 1 1.621 0.01 . 1 . . . . 46 LYS HB2 . 15309 2 266 . 1 1 46 46 LYS HB3 H 1 1.621 0.01 . 1 . . . . 46 LYS HB3 . 15309 2 267 . 1 1 46 46 LYS HD2 H 1 1.76 0.01 . 1 . . . . 46 LYS HD2 . 15309 2 268 . 1 1 46 46 LYS HD3 H 1 1.76 0.01 . 1 . . . . 46 LYS HD3 . 15309 2 269 . 1 1 46 46 LYS HG2 H 1 1.477 0.01 . 1 . . . . 46 LYS HG2 . 15309 2 270 . 1 1 46 46 LYS HG3 H 1 1.477 0.01 . 1 . . . . 46 LYS HG3 . 15309 2 271 . 1 1 47 47 ASN H H 1 8.205 0.01 . 1 . . . . 47 ASN H . 15309 2 272 . 1 1 47 47 ASN HA H 1 4.867 0.01 . 1 . . . . 47 ASN HA . 15309 2 273 . 1 1 47 47 ASN HB2 H 1 3.071 0.01 . 2 . . . . 47 ASN HB2 . 15309 2 274 . 1 1 47 47 ASN HB3 H 1 2.904 0.01 . 2 . . . . 47 ASN HB3 . 15309 2 275 . 1 1 48 48 SER H H 1 9.018 0.01 . 1 . . . . 48 SER H . 15309 2 276 . 1 1 48 48 SER HA H 1 4.992 0.01 . 1 . . . . 48 SER HA . 15309 2 277 . 1 1 49 49 ALA H H 1 8.945 0.01 . 1 . . . . 49 ALA H . 15309 2 278 . 1 1 49 49 ALA HA H 1 4.57 0.01 . 1 . . . . 49 ALA HA . 15309 2 279 . 1 1 50 50 LEU H H 1 8.089 0.01 . 1 . . . . 50 LEU H . 15309 2 280 . 1 1 50 50 LEU HA H 1 4.582 0.01 . 1 . . . . 50 LEU HA . 15309 2 281 . 1 1 50 50 LEU HB2 H 1 1.755 0.01 . 1 . . . . 50 LEU HB2 . 15309 2 282 . 1 1 50 50 LEU HB3 H 1 1.755 0.01 . 1 . . . . 50 LEU HB3 . 15309 2 283 . 1 1 50 50 LEU HG H 1 1.481 0.01 . 1 . . . . 50 LEU HG . 15309 2 284 . 1 1 51 51 LEU H H 1 7.618 0.01 . 1 . . . . 51 LEU H . 15309 2 285 . 1 1 51 51 LEU HA H 1 5.098 0.01 . 1 . . . . 51 LEU HA . 15309 2 286 . 1 1 51 51 LEU HB2 H 1 1.835 0.01 . 1 . . . . 51 LEU HB2 . 15309 2 287 . 1 1 51 51 LEU HB3 H 1 1.835 0.01 . 1 . . . . 51 LEU HB3 . 15309 2 288 . 1 1 51 51 LEU HD11 H 1 0.76 0.01 . 2 . . . . 51 LEU HD1 . 15309 2 289 . 1 1 51 51 LEU HD12 H 1 0.76 0.01 . 2 . . . . 51 LEU HD1 . 15309 2 290 . 1 1 51 51 LEU HD13 H 1 0.76 0.01 . 2 . . . . 51 LEU HD1 . 15309 2 291 . 1 1 51 51 LEU HD21 H 1 0.578 0.01 . 2 . . . . 51 LEU HD2 . 15309 2 292 . 1 1 51 51 LEU HD22 H 1 0.578 0.01 . 2 . . . . 51 LEU HD2 . 15309 2 293 . 1 1 51 51 LEU HD23 H 1 0.578 0.01 . 2 . . . . 51 LEU HD2 . 15309 2 294 . 1 1 51 51 LEU HG H 1 1.384 0.01 . 1 . . . . 51 LEU HG . 15309 2 295 . 1 1 52 52 LYS H H 1 8.763 0.01 . 1 . . . . 52 LYS H . 15309 2 296 . 1 1 52 52 LYS HA H 1 4.582 0.01 . 1 . . . . 52 LYS HA . 15309 2 297 . 1 1 52 52 LYS HB2 H 1 1.493 0.01 . 1 . . . . 52 LYS HB2 . 15309 2 298 . 1 1 52 52 LYS HD2 H 1 1.68 0.01 . 1 . . . . 52 LYS HD2 . 15309 2 299 . 1 1 52 52 LYS HD3 H 1 1.68 0.01 . 1 . . . . 52 LYS HD3 . 15309 2 300 . 1 1 52 52 LYS HG2 H 1 1.171 0.01 . 1 . . . . 52 LYS HG2 . 15309 2 301 . 1 1 52 52 LYS HG3 H 1 1.171 0.01 . 1 . . . . 52 LYS HG3 . 15309 2 302 . 1 1 53 53 TYR H H 1 8.778 0.01 . 1 . . . . 53 TYR H . 15309 2 303 . 1 1 53 53 TYR HA H 1 5.371 0.01 . 1 . . . . 53 TYR HA . 15309 2 304 . 1 1 53 53 TYR HB2 H 1 2.934 0.01 . 2 . . . . 53 TYR HB2 . 15309 2 305 . 1 1 53 53 TYR HB3 H 1 2.538 0.01 . 2 . . . . 53 TYR HB3 . 15309 2 306 . 1 1 53 53 TYR HD1 H 1 6.785 0.01 . 1 . . . . 53 TYR HD1 . 15309 2 307 . 1 1 53 53 TYR HD2 H 1 6.785 0.01 . 1 . . . . 53 TYR HD2 . 15309 2 308 . 1 1 53 53 TYR HE1 H 1 6.443 0.01 . 1 . . . . 53 TYR HE1 . 15309 2 309 . 1 1 53 53 TYR HE2 H 1 6.443 0.01 . 1 . . . . 53 TYR HE2 . 15309 2 310 . 1 1 54 54 VAL H H 1 8.77 0.01 . 1 . . . . 54 VAL H . 15309 2 311 . 1 1 54 54 VAL HA H 1 4.576 0.01 . 1 . . . . 54 VAL HA . 15309 2 312 . 1 1 54 54 VAL HB H 1 2.025 0.01 . 1 . . . . 54 VAL HB . 15309 2 313 . 1 1 54 54 VAL HG21 H 1 1.005 0.01 . 2 . . . . 54 VAL HG2 . 15309 2 314 . 1 1 54 54 VAL HG22 H 1 1.005 0.01 . 2 . . . . 54 VAL HG2 . 15309 2 315 . 1 1 54 54 VAL HG23 H 1 1.005 0.01 . 2 . . . . 54 VAL HG2 . 15309 2 316 . 1 1 55 55 CYS H H 1 9.152 0.01 . 1 . . . . 55 CYS H . 15309 2 317 . 1 1 55 55 CYS HA H 1 5.933 0.01 . 1 . . . . 55 CYS HA . 15309 2 318 . 1 1 55 55 CYS HB2 H 1 3.696 0.01 . 2 . . . . 55 CYS HB2 . 15309 2 319 . 1 1 55 55 CYS HB3 H 1 3.064 0.01 . 2 . . . . 55 CYS HB3 . 15309 2 320 . 1 1 56 56 CYS H H 1 9.021 0.01 . 1 . . . . 56 CYS H . 15309 2 321 . 1 1 56 56 CYS HA H 1 5.096 0.01 . 1 . . . . 56 CYS HA . 15309 2 322 . 1 1 56 56 CYS HB2 H 1 3.584 0.01 . 2 . . . . 56 CYS HB2 . 15309 2 323 . 1 1 56 56 CYS HB3 H 1 3.447 0.01 . 2 . . . . 56 CYS HB3 . 15309 2 324 . 1 1 57 57 SER H H 1 8.968 0.01 . 1 . . . . 57 SER H . 15309 2 325 . 1 1 57 57 SER HA H 1 4.953 0.01 . 1 . . . . 57 SER HA . 15309 2 326 . 1 1 57 57 SER HB2 H 1 4.25 0.01 . 2 . . . . 57 SER HB2 . 15309 2 327 . 1 1 58 58 THR H H 1 7.496 0.01 . 1 . . . . 58 THR H . 15309 2 328 . 1 1 58 58 THR HA H 1 4.682 0.01 . 1 . . . . 58 THR HA . 15309 2 329 . 1 1 58 58 THR HB H 1 4.251 0.01 . 1 . . . . 58 THR HB . 15309 2 330 . 1 1 58 58 THR HG21 H 1 1.172 0.01 . 1 . . . . 58 THR HG2 . 15309 2 331 . 1 1 58 58 THR HG22 H 1 1.172 0.01 . 1 . . . . 58 THR HG2 . 15309 2 332 . 1 1 58 58 THR HG23 H 1 1.172 0.01 . 1 . . . . 58 THR HG2 . 15309 2 333 . 1 1 59 59 ASP H H 1 8.165 0.01 . 1 . . . . 59 ASP H . 15309 2 334 . 1 1 59 59 ASP HA H 1 4.679 0.01 . 1 . . . . 59 ASP HA . 15309 2 335 . 1 1 59 59 ASP HB2 H 1 2.486 0.01 . 2 . . . . 59 ASP HB2 . 15309 2 336 . 1 1 59 59 ASP HB3 H 1 2.139 0.01 . 2 . . . . 59 ASP HB3 . 15309 2 337 . 1 1 60 60 LYS H H 1 9.407 0.01 . 1 . . . . 60 LYS H . 15309 2 338 . 1 1 60 60 LYS HA H 1 2.882 0.01 . 1 . . . . 60 LYS HA . 15309 2 339 . 1 1 60 60 LYS HB2 H 1 1.212 0.01 . 1 . . . . 60 LYS HB2 . 15309 2 340 . 1 1 60 60 LYS HB3 H 1 1.212 0.01 . 1 . . . . 60 LYS HB3 . 15309 2 341 . 1 1 60 60 LYS HD2 H 1 1.73 0.01 . 2 . . . . 60 LYS HD2 . 15309 2 342 . 1 1 60 60 LYS HD3 H 1 1.667 0.01 . 2 . . . . 60 LYS HD3 . 15309 2 343 . 1 1 60 60 LYS HG2 H 1 0.631 0.01 . 2 . . . . 60 LYS HG2 . 15309 2 344 . 1 1 60 60 LYS HG3 H 1 0.214 0.01 . 2 . . . . 60 LYS HG3 . 15309 2 345 . 1 1 61 61 CYS H H 1 7.522 0.01 . 1 . . . . 61 CYS H . 15309 2 346 . 1 1 61 61 CYS HA H 1 4.457 0.01 . 1 . . . . 61 CYS HA . 15309 2 347 . 1 1 61 61 CYS HB2 H 1 3.624 0.01 . 2 . . . . 61 CYS HB2 . 15309 2 348 . 1 1 61 61 CYS HB3 H 1 3.354 0.01 . 2 . . . . 61 CYS HB3 . 15309 2 349 . 1 1 62 62 ASN H H 1 8.536 0.01 . 1 . . . . 62 ASN H . 15309 2 350 . 1 1 62 62 ASN HA H 1 4.394 0.01 . 1 . . . . 62 ASN HA . 15309 2 351 . 1 1 62 62 ASN HB2 H 1 2.888 0.01 . 2 . . . . 62 ASN HB2 . 15309 2 352 . 1 1 62 62 ASN HB3 H 1 2.341 0.01 . 2 . . . . 62 ASN HB3 . 15309 2 353 . 1 1 62 62 ASN HD21 H 1 8.194 0.01 . 2 . . . . 62 ASN HD21 . 15309 2 354 . 1 1 62 62 ASN HD22 H 1 7.703 0.01 . 2 . . . . 62 ASN HD22 . 15309 2 stop_ save_ save_assigned_chem_shift_list_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 15309 _Assigned_chem_shift_list.ID 3 _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 4 '2D 1H-1H NOESY' . . . 15309 3 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 LEU HA H 1 4.171 0.01 . 1 . . . . 1 LEU HA . 15309 3 2 . 1 1 1 1 LEU HB2 H 1 1.438 0.01 . 1 . . . . 1 LEU HB2 . 15309 3 3 . 1 1 1 1 LEU HD21 H 1 0.719 0.01 . 2 . . . . 1 LEU HD2 . 15309 3 4 . 1 1 1 1 LEU HD22 H 1 0.719 0.01 . 2 . . . . 1 LEU HD2 . 15309 3 5 . 1 1 1 1 LEU HD23 H 1 0.719 0.01 . 2 . . . . 1 LEU HD2 . 15309 3 6 . 1 1 2 2 LYS H H 1 8.524 0.01 . 1 . . . . 2 LYS H . 15309 3 7 . 1 1 2 2 LYS HA H 1 5.356 0.01 . 1 . . . . 2 LYS HA . 15309 3 8 . 1 1 2 2 LYS HB2 H 1 1.354 0.01 . 2 . . . . 2 LYS HB2 . 15309 3 9 . 1 1 2 2 LYS HB3 H 1 1.243 0.01 . 2 . . . . 2 LYS HB3 . 15309 3 10 . 1 1 2 2 LYS HG2 H 1 1.191 0.01 . 1 . . . . 2 LYS HG2 . 15309 3 11 . 1 1 2 2 LYS HG3 H 1 1.191 0.01 . 1 . . . . 2 LYS HG3 . 15309 3 12 . 1 1 3 3 CYS H H 1 8.534 0.01 . 1 . . . . 3 CYS H . 15309 3 13 . 1 1 3 3 CYS HA H 1 4.923 0.01 . 1 . . . . 3 CYS HA . 15309 3 14 . 1 1 3 3 CYS HB2 H 1 2.873 0.01 . 2 . . . . 3 CYS HB2 . 15309 3 15 . 1 1 3 3 CYS HB3 H 1 2.349 0.01 . 2 . . . . 3 CYS HB3 . 15309 3 16 . 1 1 4 4 HIS H H 1 9.347 0.01 . 1 . . . . 4 HIS H . 15309 3 17 . 1 1 4 4 HIS HA H 1 5.168 0.01 . 1 . . . . 4 HIS HA . 15309 3 18 . 1 1 4 4 HIS HB2 H 1 3.441 0.01 . 2 . . . . 4 HIS HB2 . 15309 3 19 . 1 1 4 4 HIS HB3 H 1 2.578 0.01 . 2 . . . . 4 HIS HB3 . 15309 3 20 . 1 1 5 5 ASN H H 1 8.692 0.01 . 1 . . . . 5 ASN H . 15309 3 21 . 1 1 5 5 ASN HA H 1 5.146 0.01 . 1 . . . . 5 ASN HA . 15309 3 22 . 1 1 5 5 ASN HB2 H 1 3.148 0.01 . 2 . . . . 5 ASN HB2 . 15309 3 23 . 1 1 5 5 ASN HB3 H 1 2.13 0.01 . 2 . . . . 5 ASN HB3 . 15309 3 24 . 1 1 5 5 ASN HD21 H 1 7.245 0.01 . 2 . . . . 5 ASN HD21 . 15309 3 25 . 1 1 5 5 ASN HD22 H 1 6.371 0.01 . 2 . . . . 5 ASN HD22 . 15309 3 26 . 1 1 6 6 THR H H 1 8.478 0.01 . 1 . . . . 6 THR H . 15309 3 27 . 1 1 6 6 THR HA H 1 5.133 0.01 . 1 . . . . 6 THR HA . 15309 3 28 . 1 1 6 6 THR HB H 1 4.435 0.01 . 1 . . . . 6 THR HB . 15309 3 29 . 1 1 6 6 THR HG21 H 1 1.137 0.01 . 1 . . . . 6 THR HG2 . 15309 3 30 . 1 1 6 6 THR HG22 H 1 1.137 0.01 . 1 . . . . 6 THR HG2 . 15309 3 31 . 1 1 6 6 THR HG23 H 1 1.137 0.01 . 1 . . . . 6 THR HG2 . 15309 3 32 . 1 1 7 7 GLN H H 1 8.597 0.01 . 1 . . . . 7 GLN H . 15309 3 33 . 1 1 7 7 GLN HA H 1 4.208 0.01 . 1 . . . . 7 GLN HA . 15309 3 34 . 1 1 7 7 GLN HB2 H 1 2.251 0.01 . 2 . . . . 7 GLN HB2 . 15309 3 35 . 1 1 7 7 GLN HB3 H 1 1.997 0.01 . 2 . . . . 7 GLN HB3 . 15309 3 36 . 1 1 7 7 GLN HE21 H 1 7.715 0.01 . 2 . . . . 7 GLN HE21 . 15309 3 37 . 1 1 7 7 GLN HE22 H 1 6.825 0.01 . 2 . . . . 7 GLN HE22 . 15309 3 38 . 1 1 7 7 GLN HG2 H 1 2.371 0.01 . 1 . . . . 7 GLN HG . 15309 3 39 . 1 1 7 7 GLN HG3 H 1 2.371 0.01 . 1 . . . . 7 GLN HG . 15309 3 40 . 1 1 8 8 LEU H H 1 8.182 0.01 . 1 . . . . 8 LEU H . 15309 3 41 . 1 1 8 8 LEU HA H 1 4.421 0.01 . 1 . . . . 8 LEU HA . 15309 3 42 . 1 1 8 8 LEU HB3 H 1 1.469 0.01 . 2 . . . . 8 LEU HB3 . 15309 3 43 . 1 1 8 8 LEU HD11 H 1 0.962 0.01 . 2 . . . . 8 LEU HD1 . 15309 3 44 . 1 1 8 8 LEU HD12 H 1 0.962 0.01 . 2 . . . . 8 LEU HD1 . 15309 3 45 . 1 1 8 8 LEU HD13 H 1 0.962 0.01 . 2 . . . . 8 LEU HD1 . 15309 3 46 . 1 1 8 8 LEU HD21 H 1 0.901 0.01 . 2 . . . . 8 LEU HD2 . 15309 3 47 . 1 1 8 8 LEU HD22 H 1 0.901 0.01 . 2 . . . . 8 LEU HD2 . 15309 3 48 . 1 1 8 8 LEU HD23 H 1 0.901 0.01 . 2 . . . . 8 LEU HD2 . 15309 3 49 . 1 1 9 9 PRO HA H 1 4.219 0.01 . 1 . . . . 9 PRO HA . 15309 3 50 . 1 1 9 9 PRO HB2 H 1 1.78 0.01 . 2 . . . . 9 PRO HB2 . 15309 3 51 . 1 1 9 9 PRO HB3 H 1 1.713 0.01 . 2 . . . . 9 PRO HB3 . 15309 3 52 . 1 1 10 10 PHE H H 1 8.128 0.01 . 1 . . . . 10 PHE H . 15309 3 53 . 1 1 10 10 PHE HA H 1 4.331 0.01 . 1 . . . . 10 PHE HA . 15309 3 54 . 1 1 10 10 PHE HB2 H 1 3.564 0.01 . 2 . . . . 10 PHE HB2 . 15309 3 55 . 1 1 10 10 PHE HB3 H 1 3.293 0.01 . 2 . . . . 10 PHE HB3 . 15309 3 56 . 1 1 10 10 PHE HD1 H 1 7.293 0.01 . 1 . . . . 10 PHE HD1 . 15309 3 57 . 1 1 10 10 PHE HD2 H 1 7.293 0.01 . 1 . . . . 10 PHE HD2 . 15309 3 58 . 1 1 10 10 PHE HE1 H 1 7.338 0.01 . 1 . . . . 10 PHE HE1 . 15309 3 59 . 1 1 10 10 PHE HE2 H 1 7.338 0.01 . 1 . . . . 10 PHE HE2 . 15309 3 60 . 1 1 11 11 ILE H H 1 7.295 0.01 . 1 . . . . 11 ILE H . 15309 3 61 . 1 1 11 11 ILE HA H 1 3.95 0.01 . 1 . . . . 11 ILE HA . 15309 3 62 . 1 1 11 11 ILE HG21 H 1 1.109 0.01 . 1 . . . . 11 ILE HG2 . 15309 3 63 . 1 1 11 11 ILE HG22 H 1 1.109 0.01 . 1 . . . . 11 ILE HG2 . 15309 3 64 . 1 1 11 11 ILE HG23 H 1 1.109 0.01 . 1 . . . . 11 ILE HG2 . 15309 3 65 . 1 1 12 12 TYR H H 1 7.762 0.01 . 1 . . . . 12 TYR H . 15309 3 66 . 1 1 12 12 TYR HA H 1 5.401 0.01 . 1 . . . . 12 TYR HA . 15309 3 67 . 1 1 12 12 TYR HB2 H 1 2.503 0.01 . 1 . . . . 12 TYR HB2 . 15309 3 68 . 1 1 12 12 TYR HB3 H 1 2.503 0.01 . 1 . . . . 12 TYR HB3 . 15309 3 69 . 1 1 12 12 TYR HD1 H 1 6.778 0.01 . 1 . . . . 12 TYR HD1 . 15309 3 70 . 1 1 12 12 TYR HD2 H 1 6.778 0.01 . 1 . . . . 12 TYR HD2 . 15309 3 71 . 1 1 12 12 TYR HE1 H 1 6.977 0.01 . 1 . . . . 12 TYR HE1 . 15309 3 72 . 1 1 12 12 TYR HE2 H 1 6.977 0.01 . 1 . . . . 12 TYR HE2 . 15309 3 73 . 1 1 13 13 LYS H H 1 8.476 0.01 . 1 . . . . 13 LYS H . 15309 3 74 . 1 1 13 13 LYS HA H 1 4.725 0.01 . 1 . . . . 13 LYS HA . 15309 3 75 . 1 1 13 13 LYS HB2 H 1 1.613 0.01 . 1 . . . . 13 LYS HB2 . 15309 3 76 . 1 1 13 13 LYS HB3 H 1 1.613 0.01 . 1 . . . . 13 LYS HB3 . 15309 3 77 . 1 1 13 13 LYS HD2 H 1 1.873 0.01 . 1 . . . . 13 LYS HD2 . 15309 3 78 . 1 1 13 13 LYS HD3 H 1 1.873 0.01 . 1 . . . . 13 LYS HD3 . 15309 3 79 . 1 1 13 13 LYS HG2 H 1 1.324 0.01 . 2 . . . . 13 LYS HG2 . 15309 3 80 . 1 1 13 13 LYS HG3 H 1 1.192 0.01 . 2 . . . . 13 LYS HG3 . 15309 3 81 . 1 1 14 14 THR H H 1 8.708 0.01 . 1 . . . . 14 THR H . 15309 3 82 . 1 1 14 14 THR HA H 1 4.597 0.01 . 1 . . . . 14 THR HA . 15309 3 83 . 1 1 14 14 THR HB H 1 4.043 0.01 . 1 . . . . 14 THR HB . 15309 3 84 . 1 1 14 14 THR HG21 H 1 1.24 0.01 . 1 . . . . 14 THR HG2 . 15309 3 85 . 1 1 14 14 THR HG22 H 1 1.24 0.01 . 1 . . . . 14 THR HG2 . 15309 3 86 . 1 1 14 14 THR HG23 H 1 1.24 0.01 . 1 . . . . 14 THR HG2 . 15309 3 87 . 1 1 15 15 CYS H H 1 9.153 0.01 . 1 . . . . 15 CYS H . 15309 3 88 . 1 1 15 15 CYS HA H 1 4.895 0.01 . 1 . . . . 15 CYS HA . 15309 3 89 . 1 1 15 15 CYS HB2 H 1 3.376 0.01 . 2 . . . . 15 CYS HB2 . 15309 3 90 . 1 1 15 15 CYS HB3 H 1 2.836 0.01 . 2 . . . . 15 CYS HB3 . 15309 3 91 . 1 1 16 16 PRO HB2 H 1 2.411 0.01 . 2 . . . . 16 PRO HB2 . 15309 3 92 . 1 1 17 17 GLU H H 1 8.439 0.01 . 1 . . . . 17 GLU H . 15309 3 93 . 1 1 17 17 GLU HA H 1 3.991 0.01 . 1 . . . . 17 GLU HA . 15309 3 94 . 1 1 17 17 GLU HB2 H 1 1.989 0.01 . 2 . . . . 17 GLU HB2 . 15309 3 95 . 1 1 17 17 GLU HB3 H 1 1.937 0.01 . 2 . . . . 17 GLU HB3 . 15309 3 96 . 1 1 17 17 GLU HG2 H 1 2.295 0.01 . 1 . . . . 17 GLU HG . 15309 3 97 . 1 1 17 17 GLU HG3 H 1 2.295 0.01 . 1 . . . . 17 GLU HG . 15309 3 98 . 1 1 18 18 GLY H H 1 8.733 0.01 . 1 . . . . 18 GLY H . 15309 3 99 . 1 1 18 18 GLY HA2 H 1 4.293 0.01 . 2 . . . . 18 GLY HA2 . 15309 3 100 . 1 1 18 18 GLY HA3 H 1 3.665 0.01 . 2 . . . . 18 GLY HA3 . 15309 3 101 . 1 1 19 19 LYS H H 1 7.621 0.01 . 1 . . . . 19 LYS H . 15309 3 102 . 1 1 19 19 LYS HA H 1 4.323 0.01 . 1 . . . . 19 LYS HA . 15309 3 103 . 1 1 19 19 LYS HB2 H 1 1.392 0.01 . 1 . . . . 19 LYS HB2 . 15309 3 104 . 1 1 19 19 LYS HB3 H 1 1.392 0.01 . 1 . . . . 19 LYS HB3 . 15309 3 105 . 1 1 19 19 LYS HD2 H 1 1.947 0.01 . 1 . . . . 19 LYS HD2 . 15309 3 106 . 1 1 19 19 LYS HD3 H 1 1.947 0.01 . 1 . . . . 19 LYS HD3 . 15309 3 107 . 1 1 19 19 LYS HG2 H 1 1.111 0.01 . 1 . . . . 19 LYS HG2 . 15309 3 108 . 1 1 19 19 LYS HG3 H 1 1.111 0.01 . 1 . . . . 19 LYS HG3 . 15309 3 109 . 1 1 20 20 ASN H H 1 7.851 0.01 . 1 . . . . 20 ASN H . 15309 3 110 . 1 1 20 20 ASN HA H 1 4.853 0.01 . 1 . . . . 20 ASN HA . 15309 3 111 . 1 1 20 20 ASN HB2 H 1 2.933 0.01 . 2 . . . . 20 ASN HB2 . 15309 3 112 . 1 1 20 20 ASN HB3 H 1 2.696 0.01 . 2 . . . . 20 ASN HB3 . 15309 3 113 . 1 1 20 20 ASN HD21 H 1 7.374 0.01 . 2 . . . . 20 ASN HD21 . 15309 3 114 . 1 1 20 20 ASN HD22 H 1 6.847 0.01 . 2 . . . . 20 ASN HD22 . 15309 3 115 . 1 1 21 21 LEU H H 1 8.254 0.01 . 1 . . . . 21 LEU H . 15309 3 116 . 1 1 21 21 LEU HA H 1 4.822 0.01 . 1 . . . . 21 LEU HA . 15309 3 117 . 1 1 21 21 LEU HB3 H 1 1.554 0.01 . 2 . . . . 21 LEU HB3 . 15309 3 118 . 1 1 21 21 LEU HD11 H 1 0.791 0.01 . 2 . . . . 21 LEU HD1 . 15309 3 119 . 1 1 21 21 LEU HD12 H 1 0.791 0.01 . 2 . . . . 21 LEU HD1 . 15309 3 120 . 1 1 21 21 LEU HD13 H 1 0.791 0.01 . 2 . . . . 21 LEU HD1 . 15309 3 121 . 1 1 21 21 LEU HD21 H 1 0.732 0.01 . 2 . . . . 21 LEU HD2 . 15309 3 122 . 1 1 21 21 LEU HD22 H 1 0.732 0.01 . 2 . . . . 21 LEU HD2 . 15309 3 123 . 1 1 21 21 LEU HD23 H 1 0.732 0.01 . 2 . . . . 21 LEU HD2 . 15309 3 124 . 1 1 21 21 LEU HG H 1 1.421 0.01 . 1 . . . . 21 LEU HG . 15309 3 125 . 1 1 22 22 CYS H H 1 9.072 0.01 . 1 . . . . 22 CYS H . 15309 3 126 . 1 1 22 22 CYS HA H 1 5.964 0.01 . 1 . . . . 22 CYS HA . 15309 3 127 . 1 1 22 22 CYS HB2 H 1 3.165 0.01 . 2 . . . . 22 CYS HB2 . 15309 3 128 . 1 1 22 22 CYS HB3 H 1 2.933 0.01 . 2 . . . . 22 CYS HB3 . 15309 3 129 . 1 1 23 23 PHE H H 1 9.013 0.01 . 1 . . . . 23 PHE H . 15309 3 130 . 1 1 23 23 PHE HA H 1 6.201 0.01 . 1 . . . . 23 PHE HA . 15309 3 131 . 1 1 23 23 PHE HB2 H 1 3.208 0.01 . 2 . . . . 23 PHE HB2 . 15309 3 132 . 1 1 23 23 PHE HB3 H 1 2.883 0.01 . 2 . . . . 23 PHE HB3 . 15309 3 133 . 1 1 23 23 PHE HD1 H 1 6.894 0.01 . 1 . . . . 23 PHE HD1 . 15309 3 134 . 1 1 23 23 PHE HD2 H 1 6.894 0.01 . 1 . . . . 23 PHE HD2 . 15309 3 135 . 1 1 23 23 PHE HE1 H 1 7.194 0.01 . 1 . . . . 23 PHE HE1 . 15309 3 136 . 1 1 23 23 PHE HE2 H 1 7.194 0.01 . 1 . . . . 23 PHE HE2 . 15309 3 137 . 1 1 24 24 LYS H H 1 9.276 0.01 . 1 . . . . 24 LYS H . 15309 3 138 . 1 1 24 24 LYS HA H 1 4.962 0.01 . 1 . . . . 24 LYS HA . 15309 3 139 . 1 1 24 24 LYS HB2 H 1 1.702 0.01 . 1 . . . . 24 LYS HB2 . 15309 3 140 . 1 1 24 24 LYS HB3 H 1 1.702 0.01 . 1 . . . . 24 LYS HB3 . 15309 3 141 . 1 1 24 24 LYS HD2 H 1 1.928 0.01 . 1 . . . . 24 LYS HD2 . 15309 3 142 . 1 1 24 24 LYS HD3 H 1 1.928 0.01 . 1 . . . . 24 LYS HD3 . 15309 3 143 . 1 1 24 24 LYS HG2 H 1 1.388 0.01 . 1 . . . . 24 LYS HG2 . 15309 3 144 . 1 1 24 24 LYS HG3 H 1 1.388 0.01 . 1 . . . . 24 LYS HG3 . 15309 3 145 . 1 1 25 25 ALA H H 1 8.952 0.01 . 1 . . . . 25 ALA H . 15309 3 146 . 1 1 25 25 ALA HA H 1 5.505 0.01 . 1 . . . . 25 ALA HA . 15309 3 147 . 1 1 25 25 ALA HB1 H 1 0.846 0.01 . 1 . . . . 25 ALA HB . 15309 3 148 . 1 1 25 25 ALA HB2 H 1 0.846 0.01 . 1 . . . . 25 ALA HB . 15309 3 149 . 1 1 25 25 ALA HB3 H 1 0.846 0.01 . 1 . . . . 25 ALA HB . 15309 3 150 . 1 1 26 26 THR H H 1 8.782 0.01 . 1 . . . . 26 THR H . 15309 3 151 . 1 1 26 26 THR HA H 1 4.636 0.01 . 1 . . . . 26 THR HA . 15309 3 152 . 1 1 26 26 THR HB H 1 4.253 0.01 . 1 . . . . 26 THR HB . 15309 3 153 . 1 1 26 26 THR HG21 H 1 1.008 0.01 . 1 . . . . 26 THR HG2 . 15309 3 154 . 1 1 26 26 THR HG22 H 1 1.008 0.01 . 1 . . . . 26 THR HG2 . 15309 3 155 . 1 1 26 26 THR HG23 H 1 1.008 0.01 . 1 . . . . 26 THR HG2 . 15309 3 156 . 1 1 27 27 LEU H H 1 8.951 0.01 . 1 . . . . 27 LEU H . 15309 3 157 . 1 1 27 27 LEU HA H 1 4.582 0.01 . 1 . . . . 27 LEU HA . 15309 3 158 . 1 1 27 27 LEU HB2 H 1 1.896 0.01 . 2 . . . . 27 LEU HB2 . 15309 3 159 . 1 1 27 27 LEU HB3 H 1 1.679 0.01 . 2 . . . . 27 LEU HB3 . 15309 3 160 . 1 1 27 27 LEU HD11 H 1 0.833 0.01 . 2 . . . . 27 LEU HD1 . 15309 3 161 . 1 1 27 27 LEU HD12 H 1 0.833 0.01 . 2 . . . . 27 LEU HD1 . 15309 3 162 . 1 1 27 27 LEU HD13 H 1 0.833 0.01 . 2 . . . . 27 LEU HD1 . 15309 3 163 . 1 1 27 27 LEU HD21 H 1 0.777 0.01 . 2 . . . . 27 LEU HD2 . 15309 3 164 . 1 1 27 27 LEU HD22 H 1 0.777 0.01 . 2 . . . . 27 LEU HD2 . 15309 3 165 . 1 1 27 27 LEU HD23 H 1 0.777 0.01 . 2 . . . . 27 LEU HD2 . 15309 3 166 . 1 1 27 27 LEU HG H 1 1.599 0.01 . 1 . . . . 27 LEU HG . 15309 3 167 . 1 1 28 28 LYS H H 1 8.382 0.01 . 1 . . . . 28 LYS H . 15309 3 168 . 1 1 28 28 LYS HA H 1 3.949 0.01 . 1 . . . . 28 LYS HA . 15309 3 169 . 1 1 28 28 LYS HB2 H 1 1.563 0.01 . 1 . . . . 28 LYS HB2 . 15309 3 170 . 1 1 28 28 LYS HB3 H 1 1.563 0.01 . 1 . . . . 28 LYS HB3 . 15309 3 171 . 1 1 28 28 LYS HD2 H 1 1.786 0.01 . 1 . . . . 28 LYS HD2 . 15309 3 172 . 1 1 28 28 LYS HD3 H 1 1.786 0.01 . 1 . . . . 28 LYS HD3 . 15309 3 173 . 1 1 28 28 LYS HG2 H 1 1.295 0.01 . 1 . . . . 28 LYS HG2 . 15309 3 174 . 1 1 28 28 LYS HG3 H 1 1.295 0.01 . 1 . . . . 28 LYS HG3 . 15309 3 175 . 1 1 29 29 LYS H H 1 8.441 0.01 . 1 . . . . 29 LYS H . 15309 3 176 . 1 1 29 29 LYS HA H 1 4.089 0.01 . 1 . . . . 29 LYS HA . 15309 3 177 . 1 1 29 29 LYS HB2 H 1 1.347 0.01 . 1 . . . . 29 LYS HB2 . 15309 3 178 . 1 1 29 29 LYS HB3 H 1 1.347 0.01 . 1 . . . . 29 LYS HB3 . 15309 3 179 . 1 1 29 29 LYS HD2 H 1 1.601 0.01 . 1 . . . . 29 LYS HD2 . 15309 3 180 . 1 1 29 29 LYS HD3 H 1 1.601 0.01 . 1 . . . . 29 LYS HD3 . 15309 3 181 . 1 1 30 30 PHE H H 1 7.48 0.01 . 1 . . . . 30 PHE H . 15309 3 182 . 1 1 30 30 PHE HA H 1 4.923 0.01 . 1 . . . . 30 PHE HA . 15309 3 183 . 1 1 30 30 PHE HB2 H 1 3.047 0.01 . 2 . . . . 30 PHE HB2 . 15309 3 184 . 1 1 30 30 PHE HB3 H 1 2.633 0.01 . 2 . . . . 30 PHE HB3 . 15309 3 185 . 1 1 30 30 PHE HD1 H 1 7.575 0.01 . 1 . . . . 30 PHE HD1 . 15309 3 186 . 1 1 30 30 PHE HD2 H 1 7.575 0.01 . 1 . . . . 30 PHE HD2 . 15309 3 187 . 1 1 30 30 PHE HE1 H 1 7.323 0.01 . 1 . . . . 30 PHE HE1 . 15309 3 188 . 1 1 30 30 PHE HE2 H 1 7.323 0.01 . 1 . . . . 30 PHE HE2 . 15309 3 189 . 1 1 32 32 LEU H H 1 8.371 0.01 . 1 . . . . 32 LEU H . 15309 3 190 . 1 1 32 32 LEU HA H 1 4.507 0.01 . 1 . . . . 32 LEU HA . 15309 3 191 . 1 1 32 32 LEU HB2 H 1 1.786 0.01 . 2 . . . . 32 LEU HB2 . 15309 3 192 . 1 1 32 32 LEU HB3 H 1 1.671 0.01 . 2 . . . . 32 LEU HB3 . 15309 3 193 . 1 1 32 32 LEU HD11 H 1 1.006 0.01 . 2 . . . . 32 LEU HD1 . 15309 3 194 . 1 1 32 32 LEU HD12 H 1 1.006 0.01 . 2 . . . . 32 LEU HD1 . 15309 3 195 . 1 1 32 32 LEU HD13 H 1 1.006 0.01 . 2 . . . . 32 LEU HD1 . 15309 3 196 . 1 1 32 32 LEU HD21 H 1 0.93 0.01 . 2 . . . . 32 LEU HD2 . 15309 3 197 . 1 1 32 32 LEU HD22 H 1 0.93 0.01 . 2 . . . . 32 LEU HD2 . 15309 3 198 . 1 1 32 32 LEU HD23 H 1 0.93 0.01 . 2 . . . . 32 LEU HD2 . 15309 3 199 . 1 1 33 33 LYS H H 1 7.543 0.01 . 1 . . . . 33 LYS H . 15309 3 200 . 1 1 33 33 LYS HA H 1 4.142 0.01 . 1 . . . . 33 LYS HA . 15309 3 201 . 1 1 34 34 PHE H H 1 8.038 0.01 . 1 . . . . 34 PHE H . 15309 3 202 . 1 1 34 34 PHE HA H 1 4.777 0.01 . 1 . . . . 34 PHE HA . 15309 3 203 . 1 1 34 34 PHE HB3 H 1 3.019 0.01 . 2 . . . . 34 PHE HB3 . 15309 3 204 . 1 1 34 34 PHE HD1 H 1 7.067 0.01 . 1 . . . . 34 PHE HD1 . 15309 3 205 . 1 1 34 34 PHE HD2 H 1 7.067 0.01 . 1 . . . . 34 PHE HD2 . 15309 3 206 . 1 1 34 34 PHE HE1 H 1 7.091 0.01 . 1 . . . . 34 PHE HE1 . 15309 3 207 . 1 1 34 34 PHE HE2 H 1 7.091 0.01 . 1 . . . . 34 PHE HE2 . 15309 3 208 . 1 1 36 36 VAL H H 1 8.371 0.01 . 1 . . . . 36 VAL H . 15309 3 209 . 1 1 36 36 VAL HA H 1 3.943 0.01 . 1 . . . . 36 VAL HA . 15309 3 210 . 1 1 36 36 VAL HG11 H 1 0.93 0.01 . 2 . . . . 36 VAL HG1 . 15309 3 211 . 1 1 36 36 VAL HG12 H 1 0.93 0.01 . 2 . . . . 36 VAL HG1 . 15309 3 212 . 1 1 36 36 VAL HG13 H 1 0.93 0.01 . 2 . . . . 36 VAL HG1 . 15309 3 213 . 1 1 36 36 VAL HG21 H 1 0.844 0.01 . 2 . . . . 36 VAL HG2 . 15309 3 214 . 1 1 36 36 VAL HG22 H 1 0.844 0.01 . 2 . . . . 36 VAL HG2 . 15309 3 215 . 1 1 36 36 VAL HG23 H 1 0.844 0.01 . 2 . . . . 36 VAL HG2 . 15309 3 216 . 1 1 37 37 LYS H H 1 7.166 0.01 . 1 . . . . 37 LYS H . 15309 3 217 . 1 1 37 37 LYS HA H 1 4.463 0.01 . 1 . . . . 37 LYS HA . 15309 3 218 . 1 1 37 37 LYS HB3 H 1 1.511 0.01 . 2 . . . . 37 LYS HB3 . 15309 3 219 . 1 1 37 37 LYS HD2 H 1 1.988 0.01 . 1 . . . . 37 LYS HD2 . 15309 3 220 . 1 1 37 37 LYS HD3 H 1 1.988 0.01 . 1 . . . . 37 LYS HD3 . 15309 3 221 . 1 1 37 37 LYS HG2 H 1 1.789 0.01 . 1 . . . . 37 LYS HG2 . 15309 3 222 . 1 1 37 37 LYS HG3 H 1 1.789 0.01 . 1 . . . . 37 LYS HG3 . 15309 3 223 . 1 1 38 38 ARG H H 1 8.778 0.01 . 1 . . . . 38 ARG H . 15309 3 224 . 1 1 38 38 ARG HA H 1 4.232 0.01 . 1 . . . . 38 ARG HA . 15309 3 225 . 1 1 38 38 ARG HB3 H 1 1.567 0.01 . 2 . . . . 38 ARG HB3 . 15309 3 226 . 1 1 38 38 ARG HD2 H 1 3.135 0.01 . 2 . . . . 38 ARG HD2 . 15309 3 227 . 1 1 38 38 ARG HD3 H 1 2.939 0.01 . 2 . . . . 38 ARG HD3 . 15309 3 228 . 1 1 38 38 ARG HE H 1 7.275 0.01 . 1 . . . . 38 ARG HE . 15309 3 229 . 1 1 38 38 ARG HG2 H 1 1.448 0.01 . 1 . . . . 38 ARG HG2 . 15309 3 230 . 1 1 38 38 ARG HG3 H 1 1.448 0.01 . 1 . . . . 38 ARG HG3 . 15309 3 231 . 1 1 39 39 GLY H H 1 6.039 0.01 . 1 . . . . 39 GLY H . 15309 3 232 . 1 1 39 39 GLY HA2 H 1 4.033 0.01 . 2 . . . . 39 GLY HA2 . 15309 3 233 . 1 1 39 39 GLY HA3 H 1 3.707 0.01 . 2 . . . . 39 GLY HA3 . 15309 3 234 . 1 1 40 40 CYS H H 1 8.661 0.01 . 1 . . . . 40 CYS H . 15309 3 235 . 1 1 40 40 CYS HA H 1 5.758 0.01 . 1 . . . . 40 CYS HA . 15309 3 236 . 1 1 40 40 CYS HB2 H 1 3.452 0.01 . 2 . . . . 40 CYS HB2 . 15309 3 237 . 1 1 40 40 CYS HB3 H 1 2.859 0.01 . 2 . . . . 40 CYS HB3 . 15309 3 238 . 1 1 41 41 ALA H H 1 9.668 0.01 . 1 . . . . 41 ALA H . 15309 3 239 . 1 1 41 41 ALA HA H 1 4.794 0.01 . 1 . . . . 41 ALA HA . 15309 3 240 . 1 1 41 41 ALA HB1 H 1 1.439 0.01 . 1 . . . . 41 ALA HB . 15309 3 241 . 1 1 41 41 ALA HB2 H 1 1.439 0.01 . 1 . . . . 41 ALA HB . 15309 3 242 . 1 1 41 41 ALA HB3 H 1 1.439 0.01 . 1 . . . . 41 ALA HB . 15309 3 243 . 1 1 42 42 ASP H H 1 8.495 0.01 . 1 . . . . 42 ASP H . 15309 3 244 . 1 1 42 42 ASP HA H 1 4.957 0.01 . 1 . . . . 42 ASP HA . 15309 3 245 . 1 1 42 42 ASP HB2 H 1 2.879 0.01 . 2 . . . . 42 ASP HB2 . 15309 3 246 . 1 1 42 42 ASP HB3 H 1 2.754 0.01 . 2 . . . . 42 ASP HB3 . 15309 3 247 . 1 1 43 43 ASN H H 1 8.05 0.01 . 1 . . . . 43 ASN H . 15309 3 248 . 1 1 43 43 ASN HA H 1 4.658 0.01 . 1 . . . . 43 ASN HA . 15309 3 249 . 1 1 43 43 ASN HB2 H 1 2.522 0.01 . 2 . . . . 43 ASN HB2 . 15309 3 250 . 1 1 43 43 ASN HB3 H 1 2.453 0.01 . 2 . . . . 43 ASN HB3 . 15309 3 251 . 1 1 43 43 ASN HD21 H 1 7.353 0.01 . 2 . . . . 43 ASN HD21 . 15309 3 252 . 1 1 43 43 ASN HD22 H 1 6.728 0.01 . 2 . . . . 43 ASN HD22 . 15309 3 253 . 1 1 44 44 CYS H H 1 9.035 0.01 . 1 . . . . 44 CYS H . 15309 3 254 . 1 1 44 44 CYS HA H 1 4.575 0.01 . 1 . . . . 44 CYS HA . 15309 3 255 . 1 1 45 45 PRO HA H 1 3.821 0.01 . 1 . . . . 45 PRO HA . 15309 3 256 . 1 1 45 45 PRO HB2 H 1 1.372 0.01 . 2 . . . . 45 PRO HB2 . 15309 3 257 . 1 1 45 45 PRO HD2 H 1 3.606 0.01 . 2 . . . . 45 PRO HD2 . 15309 3 258 . 1 1 45 45 PRO HD3 H 1 2.771 0.01 . 2 . . . . 45 PRO HD3 . 15309 3 259 . 1 1 45 45 PRO HG2 H 1 1.121 0.01 . 2 . . . . 45 PRO HG2 . 15309 3 260 . 1 1 45 45 PRO HG3 H 1 0.5 0.01 . 2 . . . . 45 PRO HG3 . 15309 3 261 . 1 1 46 46 LYS H H 1 7.553 0.01 . 1 . . . . 46 LYS H . 15309 3 262 . 1 1 46 46 LYS HA H 1 4.106 0.01 . 1 . . . . 46 LYS HA . 15309 3 263 . 1 1 46 46 LYS HB2 H 1 1.611 0.01 . 1 . . . . 46 LYS HB2 . 15309 3 264 . 1 1 46 46 LYS HB3 H 1 1.611 0.01 . 1 . . . . 46 LYS HB3 . 15309 3 265 . 1 1 46 46 LYS HD2 H 1 1.765 0.01 . 1 . . . . 46 LYS HD2 . 15309 3 266 . 1 1 46 46 LYS HD3 H 1 1.765 0.01 . 1 . . . . 46 LYS HD3 . 15309 3 267 . 1 1 46 46 LYS HG2 H 1 1.469 0.01 . 1 . . . . 46 LYS HG2 . 15309 3 268 . 1 1 46 46 LYS HG3 H 1 1.469 0.01 . 1 . . . . 46 LYS HG3 . 15309 3 269 . 1 1 47 47 ASN H H 1 8.192 0.01 . 1 . . . . 47 ASN H . 15309 3 270 . 1 1 47 47 ASN HA H 1 4.872 0.01 . 1 . . . . 47 ASN HA . 15309 3 271 . 1 1 47 47 ASN HB2 H 1 3.098 0.01 . 2 . . . . 47 ASN HB2 . 15309 3 272 . 1 1 47 47 ASN HB3 H 1 2.896 0.01 . 2 . . . . 47 ASN HB3 . 15309 3 273 . 1 1 48 48 SER H H 1 9.011 0.01 . 1 . . . . 48 SER H . 15309 3 274 . 1 1 48 48 SER HA H 1 4.976 0.01 . 1 . . . . 48 SER HA . 15309 3 275 . 1 1 50 50 LEU H H 1 8.131 0.01 . 1 . . . . 50 LEU H . 15309 3 276 . 1 1 50 50 LEU HA H 1 4.579 0.01 . 1 . . . . 50 LEU HA . 15309 3 277 . 1 1 50 50 LEU HB2 H 1 1.76 0.01 . 1 . . . . 50 LEU HB2 . 15309 3 278 . 1 1 50 50 LEU HB3 H 1 1.76 0.01 . 1 . . . . 50 LEU HB3 . 15309 3 279 . 1 1 50 50 LEU HG H 1 1.504 0.01 . 1 . . . . 50 LEU HG . 15309 3 280 . 1 1 51 51 LEU H H 1 7.623 0.01 . 1 . . . . 51 LEU H . 15309 3 281 . 1 1 51 51 LEU HA H 1 5.119 0.01 . 1 . . . . 51 LEU HA . 15309 3 282 . 1 1 51 51 LEU HB2 H 1 1.899 0.01 . 1 . . . . 51 LEU HB2 . 15309 3 283 . 1 1 51 51 LEU HB3 H 1 1.899 0.01 . 1 . . . . 51 LEU HB3 . 15309 3 284 . 1 1 51 51 LEU HD11 H 1 0.767 0.01 . 2 . . . . 51 LEU HD1 . 15309 3 285 . 1 1 51 51 LEU HD12 H 1 0.767 0.01 . 2 . . . . 51 LEU HD1 . 15309 3 286 . 1 1 51 51 LEU HD13 H 1 0.767 0.01 . 2 . . . . 51 LEU HD1 . 15309 3 287 . 1 1 51 51 LEU HD21 H 1 0.584 0.01 . 2 . . . . 51 LEU HD2 . 15309 3 288 . 1 1 51 51 LEU HD22 H 1 0.584 0.01 . 2 . . . . 51 LEU HD2 . 15309 3 289 . 1 1 51 51 LEU HD23 H 1 0.584 0.01 . 2 . . . . 51 LEU HD2 . 15309 3 290 . 1 1 51 51 LEU HG H 1 1.376 0.01 . 1 . . . . 51 LEU HG . 15309 3 291 . 1 1 52 52 LYS H H 1 8.76 0.01 . 1 . . . . 52 LYS H . 15309 3 292 . 1 1 52 52 LYS HA H 1 4.574 0.01 . 1 . . . . 52 LYS HA . 15309 3 293 . 1 1 52 52 LYS HB2 H 1 1.485 0.01 . 2 . . . . 52 LYS HB2 . 15309 3 294 . 1 1 52 52 LYS HD2 H 1 1.672 0.01 . 1 . . . . 52 LYS HD2 . 15309 3 295 . 1 1 52 52 LYS HD3 H 1 1.672 0.01 . 1 . . . . 52 LYS HD3 . 15309 3 296 . 1 1 52 52 LYS HG2 H 1 1.163 0.01 . 1 . . . . 52 LYS HG2 . 15309 3 297 . 1 1 52 52 LYS HG3 H 1 1.163 0.01 . 1 . . . . 52 LYS HG3 . 15309 3 298 . 1 1 53 53 TYR H H 1 8.783 0.01 . 1 . . . . 53 TYR H . 15309 3 299 . 1 1 53 53 TYR HA H 1 5.378 0.01 . 1 . . . . 53 TYR HA . 15309 3 300 . 1 1 53 53 TYR HB2 H 1 2.926 0.01 . 2 . . . . 53 TYR HB2 . 15309 3 301 . 1 1 53 53 TYR HB3 H 1 2.535 0.01 . 2 . . . . 53 TYR HB3 . 15309 3 302 . 1 1 53 53 TYR HD1 H 1 6.785 0.01 . 1 . . . . 53 TYR HD1 . 15309 3 303 . 1 1 53 53 TYR HD2 H 1 6.785 0.01 . 1 . . . . 53 TYR HD2 . 15309 3 304 . 1 1 53 53 TYR HE1 H 1 6.445 0.01 . 1 . . . . 53 TYR HE1 . 15309 3 305 . 1 1 53 53 TYR HE2 H 1 6.445 0.01 . 1 . . . . 53 TYR HE2 . 15309 3 306 . 1 1 54 54 VAL H H 1 8.782 0.01 . 1 . . . . 54 VAL H . 15309 3 307 . 1 1 54 54 VAL HA H 1 4.569 0.01 . 1 . . . . 54 VAL HA . 15309 3 308 . 1 1 54 54 VAL HB H 1 2.038 0.01 . 1 . . . . 54 VAL HB . 15309 3 309 . 1 1 54 54 VAL HG21 H 1 1.012 0.01 . 2 . . . . 54 VAL HG2 . 15309 3 310 . 1 1 54 54 VAL HG22 H 1 1.012 0.01 . 2 . . . . 54 VAL HG2 . 15309 3 311 . 1 1 54 54 VAL HG23 H 1 1.012 0.01 . 2 . . . . 54 VAL HG2 . 15309 3 312 . 1 1 55 55 CYS H H 1 9.141 0.01 . 1 . . . . 55 CYS H . 15309 3 313 . 1 1 55 55 CYS HA H 1 5.943 0.01 . 1 . . . . 55 CYS HA . 15309 3 314 . 1 1 55 55 CYS HB2 H 1 3.709 0.01 . 2 . . . . 55 CYS HB2 . 15309 3 315 . 1 1 55 55 CYS HB3 H 1 3.063 0.01 . 2 . . . . 55 CYS HB3 . 15309 3 316 . 1 1 56 56 CYS H H 1 9.029 0.01 . 1 . . . . 56 CYS H . 15309 3 317 . 1 1 56 56 CYS HA H 1 5.1 0.01 . 1 . . . . 56 CYS HA . 15309 3 318 . 1 1 56 56 CYS HB2 H 1 3.576 0.01 . 2 . . . . 56 CYS HB2 . 15309 3 319 . 1 1 56 56 CYS HB3 H 1 3.439 0.01 . 2 . . . . 56 CYS HB3 . 15309 3 320 . 1 1 57 57 SER H H 1 8.966 0.01 . 1 . . . . 57 SER H . 15309 3 321 . 1 1 57 57 SER HA H 1 4.957 0.01 . 1 . . . . 57 SER HA . 15309 3 322 . 1 1 57 57 SER HB2 H 1 4.242 0.01 . 2 . . . . 57 SER HB2 . 15309 3 323 . 1 1 58 58 THR H H 1 7.508 0.01 . 1 . . . . 58 THR H . 15309 3 324 . 1 1 58 58 THR HA H 1 4.689 0.01 . 1 . . . . 58 THR HA . 15309 3 325 . 1 1 58 58 THR HB H 1 4.26 0.01 . 1 . . . . 58 THR HB . 15309 3 326 . 1 1 58 58 THR HG21 H 1 1.173 0.01 . 1 . . . . 58 THR HG2 . 15309 3 327 . 1 1 58 58 THR HG22 H 1 1.173 0.01 . 1 . . . . 58 THR HG2 . 15309 3 328 . 1 1 58 58 THR HG23 H 1 1.173 0.01 . 1 . . . . 58 THR HG2 . 15309 3 329 . 1 1 59 59 ASP H H 1 8.156 0.01 . 1 . . . . 59 ASP H . 15309 3 330 . 1 1 59 59 ASP HA H 1 4.691 0.01 . 1 . . . . 59 ASP HA . 15309 3 331 . 1 1 59 59 ASP HB2 H 1 2.485 0.01 . 2 . . . . 59 ASP HB2 . 15309 3 332 . 1 1 59 59 ASP HB3 H 1 2.132 0.01 . 2 . . . . 59 ASP HB3 . 15309 3 333 . 1 1 60 60 LYS H H 1 9.428 0.01 . 1 . . . . 60 LYS H . 15309 3 334 . 1 1 60 60 LYS HA H 1 2.869 0.01 . 1 . . . . 60 LYS HA . 15309 3 335 . 1 1 60 60 LYS HG2 H 1 0.686 0.01 . 2 . . . . 60 LYS HG2 . 15309 3 336 . 1 1 60 60 LYS HG3 H 1 0.198 0.01 . 2 . . . . 60 LYS HG3 . 15309 3 337 . 1 1 61 61 CYS H H 1 7.521 0.01 . 1 . . . . 61 CYS H . 15309 3 338 . 1 1 61 61 CYS HA H 1 4.446 0.01 . 1 . . . . 61 CYS HA . 15309 3 339 . 1 1 61 61 CYS HB2 H 1 3.636 0.01 . 2 . . . . 61 CYS HB2 . 15309 3 340 . 1 1 61 61 CYS HB3 H 1 3.347 0.01 . 2 . . . . 61 CYS HB3 . 15309 3 341 . 1 1 62 62 ASN H H 1 8.541 0.01 . 1 . . . . 62 ASN H . 15309 3 342 . 1 1 62 62 ASN HA H 1 4.397 0.01 . 1 . . . . 62 ASN HA . 15309 3 343 . 1 1 62 62 ASN HB2 H 1 2.897 0.01 . 2 . . . . 62 ASN HB2 . 15309 3 344 . 1 1 62 62 ASN HB3 H 1 2.332 0.01 . 2 . . . . 62 ASN HB3 . 15309 3 345 . 1 1 62 62 ASN HD21 H 1 8.191 0.01 . 2 . . . . 62 ASN HD21 . 15309 3 346 . 1 1 62 62 ASN HD22 H 1 7.699 0.01 . 2 . . . . 62 ASN HD22 . 15309 3 stop_ save_