data_15305 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15305 _Entry.Title ; 1H Chemical Shift Assignments for Cardiotoxin A3 from Naja Atra at Neutral pH and temperature of 318K ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-15 _Entry.Accession_date 2007-06-15 _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 . . . 15305 2 Po-Long Wu . . . 15305 3 Chang-Mao Wang . . . 15305 4 Wei-Ning Huang . . . 15305 5 Nan-Lu Ho . . . 15305 6 Wen-Guey Wu . . . 15305 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 15305 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1102 15305 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 2007-06-15 original author . 15305 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15305 _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 . . . 15305 1 2 Po-Long Wu . . . 15305 1 3 Chang-Mao Wang . . . 15305 1 4 Wei-Ning Huang . . . 15305 1 5 Nan-Lu Ho . . . 15305 1 6 Wen-Guey Wu . . . 15305 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15305 _Assembly.ID 1 _Assembly.Name 'cardiotoxin A3' _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 A3' 1 $cardiotoxin_A3 A . yes native no no . . . 15305 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 A3' 1 CYS 3 3 SG . 1 'cardiotoxin A3' 1 CYS 21 21 SG 1 'cardiotoxin A3' 3 cys SG 1 'cardiotoxin A3' 21 cys SG 15305 1 2 disulfide single . 1 'cardiotoxin A3' 1 CYS 14 14 SG . 1 'cardiotoxin A3' 1 CYS 38 38 SG 1 'cardiotoxin A3' 14 cys SG 1 'cardiotoxin A3' 38 cys SG 15305 1 3 disulfide single . 1 'cardiotoxin A3' 1 CYS 42 42 SG . 1 'cardiotoxin A3' 1 CYS 53 53 SG 1 'cardiotoxin A3' 42 cys SG 1 'cardiotoxin A3' 53 cys SG 15305 1 4 disulfide single . 1 'cardiotoxin A3' 1 CYS 54 54 SG . 1 'cardiotoxin A3' 1 CYS 59 59 SG 1 'cardiotoxin A3' 54 cys SG 1 'cardiotoxin A3' 59 cys SG 15305 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cardiotoxin_A3 _Entity.Sf_category entity _Entity.Sf_framecode cardiotoxin_A3 _Entity.Entry_ID 15305 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name cardiotoxin_A3 _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 ; LKCNKLVPLFYKTCPAGKNL CYKMFMVATPKVPVKRGCID VCPKSSLLVKYVCCNTDRCN ; _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 60 _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 1H0J . "Structural Basis Of The Membrane-Induced Cardiotoxin A3 Oligomerization" . . . . . 100.00 60 100.00 100.00 5.57e-33 . . . . 15305 1 2 no PDB 1I02 . "Nmr Structure Of Ctx A3 At Neutral Ph (20 Structures)" . . . . . 100.00 60 100.00 100.00 5.57e-33 . . . . 15305 1 3 no PDB 1XT3 . "Structure Basis Of Venom Citrate-Dependent Heparin Sulfate-Mediated Cell Surface Retention Of Cobra Cardiotoxin A3" . . . . . 100.00 60 100.00 100.00 5.57e-33 . . . . 15305 1 4 no PDB 2BHI . "Crystal Structure Of Taiwan Cobra Cardiotoxin A3 Complexed With Sulfogalactoceramide" . . . . . 100.00 60 100.00 100.00 5.57e-33 . . . . 15305 1 5 no PDB 2CRS . "Cardiotoxin Iii From Taiwan Cobra (Naja Naja Atra) Determination Of Structure In Solution And Comparison With Short Neurotoxins" . . . . . 100.00 60 100.00 100.00 5.57e-33 . . . . 15305 1 6 no PDB 2CRT . "Cardiotoxin Iii From Taiwan Cobra (Naja Naja Atra) Determination Of Structure In Solution And Comparison With Short Neurotoxins" . . . . . 100.00 60 100.00 100.00 5.57e-33 . . . . 15305 1 7 no EMBL CAA07686 . "cardiotoxin 3 precursor protein [Naja atra]" . . . . . 100.00 81 100.00 100.00 2.22e-33 . . . . 15305 1 8 no EMBL CAA90963 . "cardiotoxin 3 [Naja naja]" . . . . . 100.00 81 98.33 98.33 4.74e-32 . . . . 15305 1 9 no EMBL CAB42053 . "cardiotoxin-31 [Naja atra]" . . . . . 100.00 81 98.33 100.00 9.22e-33 . . . . 15305 1 10 no EMBL CAB42055 . "cardiotoxin-3 [Naja atra]" . . . . . 100.00 81 100.00 100.00 1.68e-33 . . . . 15305 1 11 no GB AAA49386 . "cardiotoxin [Naja naja]" . . . . . 100.00 81 100.00 100.00 1.54e-33 . . . . 15305 1 12 no GB AAB01541 . "cardiotoxin III [Naja atra]" . . . . . 100.00 81 100.00 100.00 2.22e-33 . . . . 15305 1 13 no GB AAB18382 . "cardiotoxin 3' [Naja atra]" . . . . . 100.00 81 100.00 100.00 2.22e-33 . . . . 15305 1 14 no GB AAB18383 . "cardiotoxin 3a [Naja atra]" . . . . . 100.00 81 98.33 100.00 9.22e-33 . . . . 15305 1 15 no GB AAB25733 . "cardiotoxin isoform 3, cytotoxin isoform 3, CTX-3 [Naja naja=Formosan cobra, ssp. atra, venom, Peptide, 60 aa]" . . . . . 100.00 60 100.00 100.00 5.57e-33 . . . . 15305 1 16 no PIR JK0222 . "cytotoxin 10 - monocled cobra" . . . . . 100.00 60 100.00 100.00 5.57e-33 . . . . 15305 1 17 no PRF 0406231A . toxin,cardio . . . . . 100.00 60 100.00 100.00 5.57e-33 . . . . 15305 1 18 no PRF 2207174B . cardiotoxin:ISOTYPE=III . . . . . 100.00 81 98.33 98.33 4.74e-32 . . . . 15305 1 19 no SP O93471 . "RecName: Full=Cytotoxin 1; AltName: Full=Cardiotoxin-1; Short=CTX-1; Short=Ctx1; Flags: Precursor" . . . . . 100.00 81 98.33 100.00 7.75e-33 . . . . 15305 1 20 no SP O93473 . "RecName: Full=Cytotoxin 4a; AltName: Full=Cardiotoxin-4a; Short=CTX-4a; Short=Ctx4a; Flags: Precursor" . . . . . 100.00 81 98.33 98.33 1.21e-32 . . . . 15305 1 21 no SP P60301 . "RecName: Full=Cytotoxin 3; AltName: Full=Cardiotoxin 3; Short=CTX-3; Short=CTX3; AltName: Full=Cardiotoxin A3; Short=CTX A3; Al" . . . . . 100.00 81 100.00 100.00 2.22e-33 . . . . 15305 1 22 no SP P60302 . "RecName: Full=Cytotoxin 3; AltName: Full=Cardiotoxin-3; Short=CTX-3; Short=Ctx3; Flags: Precursor" . . . . . 100.00 81 100.00 100.00 2.22e-33 . . . . 15305 1 23 no SP P60303 . "RecName: Full=Cytotoxin 4; AltName: Full=Cytotoxin IV; Flags: Precursor" . . . . . 100.00 81 100.00 100.00 2.22e-33 . . . . 15305 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 . 15305 1 2 . LYS . 15305 1 3 . CYS . 15305 1 4 . ASN . 15305 1 5 . LYS . 15305 1 6 . LEU . 15305 1 7 . VAL . 15305 1 8 . PRO . 15305 1 9 . LEU . 15305 1 10 . PHE . 15305 1 11 . TYR . 15305 1 12 . LYS . 15305 1 13 . THR . 15305 1 14 . CYS . 15305 1 15 . PRO . 15305 1 16 . ALA . 15305 1 17 . GLY . 15305 1 18 . LYS . 15305 1 19 . ASN . 15305 1 20 . LEU . 15305 1 21 . CYS . 15305 1 22 . TYR . 15305 1 23 . LYS . 15305 1 24 . MET . 15305 1 25 . PHE . 15305 1 26 . MET . 15305 1 27 . VAL . 15305 1 28 . ALA . 15305 1 29 . THR . 15305 1 30 . PRO . 15305 1 31 . LYS . 15305 1 32 . VAL . 15305 1 33 . PRO . 15305 1 34 . VAL . 15305 1 35 . LYS . 15305 1 36 . ARG . 15305 1 37 . GLY . 15305 1 38 . CYS . 15305 1 39 . ILE . 15305 1 40 . ASP . 15305 1 41 . VAL . 15305 1 42 . CYS . 15305 1 43 . PRO . 15305 1 44 . LYS . 15305 1 45 . SER . 15305 1 46 . SER . 15305 1 47 . LEU . 15305 1 48 . LEU . 15305 1 49 . VAL . 15305 1 50 . LYS . 15305 1 51 . TYR . 15305 1 52 . VAL . 15305 1 53 . CYS . 15305 1 54 . CYS . 15305 1 55 . ASN . 15305 1 56 . THR . 15305 1 57 . ASP . 15305 1 58 . ARG . 15305 1 59 . CYS . 15305 1 60 . ASN . 15305 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 15305 1 . LYS 2 2 15305 1 . CYS 3 3 15305 1 . ASN 4 4 15305 1 . LYS 5 5 15305 1 . LEU 6 6 15305 1 . VAL 7 7 15305 1 . PRO 8 8 15305 1 . LEU 9 9 15305 1 . PHE 10 10 15305 1 . TYR 11 11 15305 1 . LYS 12 12 15305 1 . THR 13 13 15305 1 . CYS 14 14 15305 1 . PRO 15 15 15305 1 . ALA 16 16 15305 1 . GLY 17 17 15305 1 . LYS 18 18 15305 1 . ASN 19 19 15305 1 . LEU 20 20 15305 1 . CYS 21 21 15305 1 . TYR 22 22 15305 1 . LYS 23 23 15305 1 . MET 24 24 15305 1 . PHE 25 25 15305 1 . MET 26 26 15305 1 . VAL 27 27 15305 1 . ALA 28 28 15305 1 . THR 29 29 15305 1 . PRO 30 30 15305 1 . LYS 31 31 15305 1 . VAL 32 32 15305 1 . PRO 33 33 15305 1 . VAL 34 34 15305 1 . LYS 35 35 15305 1 . ARG 36 36 15305 1 . GLY 37 37 15305 1 . CYS 38 38 15305 1 . ILE 39 39 15305 1 . ASP 40 40 15305 1 . VAL 41 41 15305 1 . CYS 42 42 15305 1 . PRO 43 43 15305 1 . LYS 44 44 15305 1 . SER 45 45 15305 1 . SER 46 46 15305 1 . LEU 47 47 15305 1 . LEU 48 48 15305 1 . VAL 49 49 15305 1 . LYS 50 50 15305 1 . TYR 51 51 15305 1 . VAL 52 52 15305 1 . CYS 53 53 15305 1 . CYS 54 54 15305 1 . ASN 55 55 15305 1 . THR 56 56 15305 1 . ASP 57 57 15305 1 . ARG 58 58 15305 1 . CYS 59 59 15305 1 . ASN 60 60 15305 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 15305 _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 $cardiotoxin_A3 . 8656 organism . 'Naja atra' 'Chinese cobra' . . Eukaryota Metazoa Naja atra . . . . . . . . . . . . . . . . . . . . . 15305 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 15305 _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 $cardiotoxin_A3 . 'purified from the natural source' 'Naja atra' . . . Naja atra . . . . . . . . . . . . . . . . . . . . . . . 15305 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CTX_A3 _Sample.Sf_category sample _Sample.Sf_framecode CTX_A3 _Sample.Entry_ID 15305 _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 'cardiotoxin A3' 'natural abundance' . . 1 $cardiotoxin_A3 . . 1 . . mM . . . . 15305 1 2 'phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 15305 1 stop_ save_ save_CTX_A3_in_SGC_DPC_micelle _Sample.Sf_category sample _Sample.Sf_framecode CTX_A3_in_SGC_DPC_micelle _Sample.Entry_ID 15305 _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 'cardiotoxin A3' 'natural abundance' . . 1 $cardiotoxin_A3 . . 1 . . mM . . . . 15305 2 2 DPC [U-2H] . . . . . . 45 . . mM . . . . 15305 2 3 'sulfatide (SGC)' 'natural abundance' . . . . . . 5 . . mM . . . . 15305 2 4 'phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 15305 2 stop_ save_ save_CTX_A3__in_DPC_micelle _Sample.Sf_category sample _Sample.Sf_framecode CTX_A3__in_DPC_micelle _Sample.Entry_ID 15305 _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 'cardiotoxin A3' 'natural abundance' . . 1 $cardiotoxin_A3 . . 1 . . mM . . . . 15305 3 2 DPC [U-2H] . . . . . . 50 . . mM . . . . 15305 3 3 'phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 15305 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 15305 _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 15305 1 pH 6.0 . pH 15305 1 pressure 1 . atm 15305 1 temperature 318 . K 15305 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 15305 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 19 . mM 15305 2 pH 6.0 . pH 15305 2 pressure 1 . atm 15305 2 temperature 318 . K 15305 2 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15305 _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' . . 15305 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15305 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 15305 _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 15305 _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 . . . 15305 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 15305 _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_A3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15305 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $CTX_A3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15305 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $CTX_A3_in_SGC_DPC_micelle isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15305 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $CTX_A3__in_DPC_micelle isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15305 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 15305 _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 internal direct 1 . . . . . . . . . 15305 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 15305 _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' . . . 15305 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 4.183 0.01 . 1 . . . . 1 LEU HA . 15305 1 2 . 1 1 1 1 LEU HB2 H 1 1.504 0.01 . 1 . . . . 1 LEU HB2 . 15305 1 3 . 1 1 1 1 LEU HB3 H 1 1.504 0.01 . 1 . . . . 1 LEU HB3 . 15305 1 4 . 1 1 1 1 LEU HD11 H 1 0.775 0.01 . 2 . . . . 1 LEU HD1 . 15305 1 5 . 1 1 1 1 LEU HD12 H 1 0.775 0.01 . 2 . . . . 1 LEU HD1 . 15305 1 6 . 1 1 1 1 LEU HD13 H 1 0.775 0.01 . 2 . . . . 1 LEU HD1 . 15305 1 7 . 1 1 1 1 LEU HD21 H 1 0.775 0.01 . 2 . . . . 1 LEU HD2 . 15305 1 8 . 1 1 1 1 LEU HD22 H 1 0.775 0.01 . 2 . . . . 1 LEU HD2 . 15305 1 9 . 1 1 1 1 LEU HD23 H 1 0.775 0.01 . 2 . . . . 1 LEU HD2 . 15305 1 10 . 1 1 2 2 LYS H H 1 8.621 0.01 . 1 . . . . 2 LYS H . 15305 1 11 . 1 1 2 2 LYS HA H 1 5.469 0.01 . 1 . . . . 2 LYS HA . 15305 1 12 . 1 1 2 2 LYS HB2 H 1 1.397 0.01 . 1 . . . . 2 LYS HB2 . 15305 1 13 . 1 1 2 2 LYS HB3 H 1 1.397 0.01 . 1 . . . . 2 LYS HB3 . 15305 1 14 . 1 1 3 3 CYS H H 1 8.812 0.01 . 1 . . . . 3 CYS H . 15305 1 15 . 1 1 3 3 CYS HA H 1 5.154 0.01 . 1 . . . . 3 CYS HA . 15305 1 16 . 1 1 3 3 CYS HB2 H 1 2.873 0.01 . 2 . . . . 3 CYS HB2 . 15305 1 17 . 1 1 3 3 CYS HB3 H 1 2.458 0.01 . 2 . . . . 3 CYS HB3 . 15305 1 18 . 1 1 4 4 ASN H H 1 9.641 0.01 . 1 . . . . 4 ASN H . 15305 1 19 . 1 1 4 4 ASN HA H 1 5.049 0.01 . 1 . . . . 4 ASN HA . 15305 1 20 . 1 1 4 4 ASN HB2 H 1 2.749 0.01 . 2 . . . . 4 ASN HB2 . 15305 1 21 . 1 1 4 4 ASN HB3 H 1 2.337 0.01 . 2 . . . . 4 ASN HB3 . 15305 1 22 . 1 1 4 4 ASN HD21 H 1 7.666 0.01 . 2 . . . . 4 ASN HD21 . 15305 1 23 . 1 1 4 4 ASN HD22 H 1 6.479 0.01 . 2 . . . . 4 ASN HD22 . 15305 1 24 . 1 1 5 5 LYS H H 1 7.954 0.01 . 1 . . . . 5 LYS H . 15305 1 25 . 1 1 5 5 LYS HA H 1 4.269 0.01 . 1 . . . . 5 LYS HA . 15305 1 26 . 1 1 5 5 LYS HB2 H 1 1.634 0.01 . 1 . . . . 5 LYS HB2 . 15305 1 27 . 1 1 5 5 LYS HB3 H 1 1.634 0.01 . 1 . . . . 5 LYS HB3 . 15305 1 28 . 1 1 5 5 LYS HD2 H 1 2.201 0.01 . 1 . . . . 5 LYS HD2 . 15305 1 29 . 1 1 5 5 LYS HD3 H 1 2.201 0.01 . 1 . . . . 5 LYS HD3 . 15305 1 30 . 1 1 5 5 LYS HE2 H 1 2.903 0.01 . 1 . . . . 5 LYS HE2 . 15305 1 31 . 1 1 5 5 LYS HE3 H 1 2.903 0.01 . 1 . . . . 5 LYS HE3 . 15305 1 32 . 1 1 5 5 LYS HG2 H 1 1.283 0.01 . 2 . . . . 5 LYS HG2 . 15305 1 33 . 1 1 5 5 LYS HG3 H 1 1.283 0.01 . 2 . . . . 5 LYS HG3 . 15305 1 34 . 1 1 6 6 LEU H H 1 8.213 0.01 . 1 . . . . 6 LEU H . 15305 1 35 . 1 1 6 6 LEU HA H 1 3.685 0.01 . 1 . . . . 6 LEU HA . 15305 1 36 . 1 1 6 6 LEU HB2 H 1 1.688 0.01 . 2 . . . . 6 LEU HB2 . 15305 1 37 . 1 1 6 6 LEU HB3 H 1 1.624 0.01 . 2 . . . . 6 LEU HB3 . 15305 1 38 . 1 1 6 6 LEU HD11 H 1 1.054 0.01 . 1 . . . . 6 LEU HD1 . 15305 1 39 . 1 1 6 6 LEU HD12 H 1 1.054 0.01 . 1 . . . . 6 LEU HD1 . 15305 1 40 . 1 1 6 6 LEU HD13 H 1 1.054 0.01 . 1 . . . . 6 LEU HD1 . 15305 1 41 . 1 1 6 6 LEU HD21 H 1 0.587 0.01 . 1 . . . . 6 LEU HD2 . 15305 1 42 . 1 1 6 6 LEU HD22 H 1 0.587 0.01 . 1 . . . . 6 LEU HD2 . 15305 1 43 . 1 1 6 6 LEU HD23 H 1 0.587 0.01 . 1 . . . . 6 LEU HD2 . 15305 1 44 . 1 1 6 6 LEU HG H 1 1.818 0.01 . 1 . . . . 6 LEU HG . 15305 1 45 . 1 1 7 7 VAL H H 1 7.54 0.01 . 1 . . . . 7 VAL H . 15305 1 46 . 1 1 7 7 VAL HA H 1 4.42 0.01 . 1 . . . . 7 VAL HA . 15305 1 47 . 1 1 7 7 VAL HB H 1 2.263 0.01 . 1 . . . . 7 VAL HB . 15305 1 48 . 1 1 8 8 PRO HA H 1 4.519 0.01 . 1 . . . . 8 PRO HA . 15305 1 49 . 1 1 9 9 LEU H H 1 6.572 0.01 . 1 . . . . 9 LEU H . 15305 1 50 . 1 1 9 9 LEU HA H 1 3.964 0.01 . 1 . . . . 9 LEU HA . 15305 1 51 . 1 1 9 9 LEU HB2 H 1 1.044 0.01 . 1 . . . . 9 LEU HB2 . 15305 1 52 . 1 1 9 9 LEU HB3 H 1 1.044 0.01 . 1 . . . . 9 LEU HB3 . 15305 1 53 . 1 1 9 9 LEU HG H 1 1.338 0.01 . 1 . . . . 9 LEU HG . 15305 1 54 . 1 1 10 10 PHE H H 1 8.088 0.01 . 1 . . . . 10 PHE H . 15305 1 55 . 1 1 10 10 PHE HA H 1 4.86 0.01 . 1 . . . . 10 PHE HA . 15305 1 56 . 1 1 10 10 PHE HB2 H 1 3.216 0.01 . 2 . . . . 10 PHE HB2 . 15305 1 57 . 1 1 10 10 PHE HB3 H 1 2.858 0.01 . 2 . . . . 10 PHE HB3 . 15305 1 58 . 1 1 10 10 PHE HD1 H 1 7.285 0.01 . 1 . . . . 10 PHE HD1 . 15305 1 59 . 1 1 10 10 PHE HD2 H 1 7.285 0.01 . 1 . . . . 10 PHE HD2 . 15305 1 60 . 1 1 10 10 PHE HE1 H 1 7.351 0.01 . 1 . . . . 10 PHE HE1 . 15305 1 61 . 1 1 10 10 PHE HE2 H 1 7.351 0.01 . 1 . . . . 10 PHE HE2 . 15305 1 62 . 1 1 11 11 TYR H H 1 8.061 0.01 . 1 . . . . 11 TYR H . 15305 1 63 . 1 1 11 11 TYR HA H 1 5.436 0.01 . 1 . . . . 11 TYR HA . 15305 1 64 . 1 1 11 11 TYR HB2 H 1 2.897 0.01 . 2 . . . . 11 TYR HB2 . 15305 1 65 . 1 1 11 11 TYR HB3 H 1 2.694 0.01 . 2 . . . . 11 TYR HB3 . 15305 1 66 . 1 1 11 11 TYR HD1 H 1 6.754 0.01 . 1 . . . . 11 TYR HD1 . 15305 1 67 . 1 1 11 11 TYR HD2 H 1 6.754 0.01 . 1 . . . . 11 TYR HD2 . 15305 1 68 . 1 1 11 11 TYR HE1 H 1 6.808 0.01 . 1 . . . . 11 TYR HE1 . 15305 1 69 . 1 1 11 11 TYR HE2 H 1 6.808 0.01 . 1 . . . . 11 TYR HE2 . 15305 1 70 . 1 1 12 12 LYS H H 1 9.066 0.01 . 1 . . . . 12 LYS H . 15305 1 71 . 1 1 12 12 LYS HA H 1 4.831 0.01 . 1 . . . . 12 LYS HA . 15305 1 72 . 1 1 12 12 LYS HG2 H 1 1.398 0.01 . 2 . . . . 12 LYS HG2 . 15305 1 73 . 1 1 12 12 LYS HG3 H 1 1.268 0.01 . 2 . . . . 12 LYS HG3 . 15305 1 74 . 1 1 13 13 THR H H 1 8.745 0.01 . 1 . . . . 13 THR H . 15305 1 75 . 1 1 13 13 THR HA H 1 4.845 0.01 . 1 . . . . 13 THR HA . 15305 1 76 . 1 1 13 13 THR HB H 1 4.089 0.01 . 1 . . . . 13 THR HB . 15305 1 77 . 1 1 13 13 THR HG21 H 1 1.277 0.01 . 1 . . . . 13 THR HG2 . 15305 1 78 . 1 1 13 13 THR HG22 H 1 1.277 0.01 . 1 . . . . 13 THR HG2 . 15305 1 79 . 1 1 13 13 THR HG23 H 1 1.277 0.01 . 1 . . . . 13 THR HG2 . 15305 1 80 . 1 1 14 14 CYS H H 1 9.08 0.01 . 1 . . . . 14 CYS H . 15305 1 81 . 1 1 14 14 CYS HA H 1 4.979 0.01 . 1 . . . . 14 CYS HA . 15305 1 82 . 1 1 14 14 CYS HB2 H 1 3.528 0.01 . 2 . . . . 14 CYS HB2 . 15305 1 83 . 1 1 15 15 PRO HA H 1 4.584 0.01 . 1 . . . . 15 PRO HA . 15305 1 84 . 1 1 16 16 ALA H H 1 8.333 0.01 . 1 . . . . 16 ALA H . 15305 1 85 . 1 1 16 16 ALA HA H 1 4.12 0.01 . 1 . . . . 16 ALA HA . 15305 1 86 . 1 1 16 16 ALA HB1 H 1 1.391 0.01 . 1 . . . . 16 ALA HB . 15305 1 87 . 1 1 16 16 ALA HB2 H 1 1.391 0.01 . 1 . . . . 16 ALA HB . 15305 1 88 . 1 1 16 16 ALA HB3 H 1 1.391 0.01 . 1 . . . . 16 ALA HB . 15305 1 89 . 1 1 17 17 GLY H H 1 8.659 0.01 . 1 . . . . 17 GLY H . 15305 1 90 . 1 1 17 17 GLY HA2 H 1 4.271 0.01 . 2 . . . . 17 GLY HA2 . 15305 1 91 . 1 1 18 18 LYS H H 1 7.601 0.01 . 1 . . . . 18 LYS H . 15305 1 92 . 1 1 18 18 LYS HA H 1 4.282 0.01 . 1 . . . . 18 LYS HA . 15305 1 93 . 1 1 18 18 LYS HB2 H 1 1.372 0.01 . 1 . . . . 18 LYS HB2 . 15305 1 94 . 1 1 18 18 LYS HB3 H 1 1.372 0.01 . 1 . . . . 18 LYS HB3 . 15305 1 95 . 1 1 18 18 LYS HD2 H 1 1.914 0.01 . 1 . . . . 18 LYS HD2 . 15305 1 96 . 1 1 18 18 LYS HD3 H 1 1.914 0.01 . 1 . . . . 18 LYS HD3 . 15305 1 97 . 1 1 19 19 ASN H H 1 7.839 0.01 . 1 . . . . 19 ASN H . 15305 1 98 . 1 1 19 19 ASN HA H 1 4.941 0.01 . 1 . . . . 19 ASN HA . 15305 1 99 . 1 1 19 19 ASN HB2 H 1 3.016 0.01 . 2 . . . . 19 ASN HB2 . 15305 1 100 . 1 1 19 19 ASN HB3 H 1 2.652 0.01 . 2 . . . . 19 ASN HB3 . 15305 1 101 . 1 1 19 19 ASN HD21 H 1 7.404 0.01 . 2 . . . . 19 ASN HD21 . 15305 1 102 . 1 1 19 19 ASN HD22 H 1 6.881 0.01 . 2 . . . . 19 ASN HD22 . 15305 1 103 . 1 1 20 20 LEU H H 1 8.202 0.01 . 1 . . . . 20 LEU H . 15305 1 104 . 1 1 20 20 LEU HA H 1 4.846 0.01 . 1 . . . . 20 LEU HA . 15305 1 105 . 1 1 20 20 LEU HB2 H 1 1.689 0.01 . 2 . . . . 20 LEU HB2 . 15305 1 106 . 1 1 20 20 LEU HB3 H 1 1.533 0.01 . 2 . . . . 20 LEU HB3 . 15305 1 107 . 1 1 20 20 LEU HD11 H 1 0.852 0.01 . 2 . . . . 20 LEU HD1 . 15305 1 108 . 1 1 20 20 LEU HD12 H 1 0.852 0.01 . 2 . . . . 20 LEU HD1 . 15305 1 109 . 1 1 20 20 LEU HD13 H 1 0.852 0.01 . 2 . . . . 20 LEU HD1 . 15305 1 110 . 1 1 20 20 LEU HG H 1 1.387 0.01 . 1 . . . . 20 LEU HG . 15305 1 111 . 1 1 21 21 CYS H H 1 8.985 0.01 . 1 . . . . 21 CYS H . 15305 1 112 . 1 1 21 21 CYS HA H 1 6.122 0.01 . 1 . . . . 21 CYS HA . 15305 1 113 . 1 1 21 21 CYS HB2 H 1 3.059 0.01 . 2 . . . . 21 CYS HB2 . 15305 1 114 . 1 1 21 21 CYS HB3 H 1 2.978 0.01 . 2 . . . . 21 CYS HB3 . 15305 1 115 . 1 1 22 22 TYR H H 1 8.94 0.01 . 1 . . . . 22 TYR H . 15305 1 116 . 1 1 22 22 TYR HA H 1 6.109 0.01 . 1 . . . . 22 TYR HA . 15305 1 117 . 1 1 22 22 TYR HB2 H 1 3.107 0.01 . 2 . . . . 22 TYR HB2 . 15305 1 118 . 1 1 22 22 TYR HB3 H 1 2.957 0.01 . 2 . . . . 22 TYR HB3 . 15305 1 119 . 1 1 22 22 TYR HD1 H 1 6.622 0.01 . 1 . . . . 22 TYR HD1 . 15305 1 120 . 1 1 22 22 TYR HD2 H 1 6.622 0.01 . 1 . . . . 22 TYR HD2 . 15305 1 121 . 1 1 22 22 TYR HE1 H 1 6.738 0.01 . 1 . . . . 22 TYR HE1 . 15305 1 122 . 1 1 22 22 TYR HE2 H 1 6.738 0.01 . 1 . . . . 22 TYR HE2 . 15305 1 123 . 1 1 23 23 LYS H H 1 9.067 0.01 . 1 . . . . 23 LYS H . 15305 1 124 . 1 1 23 23 LYS HA H 1 4.922 0.01 . 1 . . . . 23 LYS HA . 15305 1 125 . 1 1 23 23 LYS HB2 H 1 1.637 0.01 . 1 . . . . 23 LYS HB2 . 15305 1 126 . 1 1 23 23 LYS HB3 H 1 1.637 0.01 . 1 . . . . 23 LYS HB3 . 15305 1 127 . 1 1 23 23 LYS HD2 H 1 1.667 0.01 . 1 . . . . 23 LYS HD2 . 15305 1 128 . 1 1 23 23 LYS HD3 H 1 1.667 0.01 . 1 . . . . 23 LYS HD3 . 15305 1 129 . 1 1 23 23 LYS HG2 H 1 1.391 0.01 . 1 . . . . 23 LYS HG2 . 15305 1 130 . 1 1 23 23 LYS HG3 H 1 1.391 0.01 . 1 . . . . 23 LYS HG3 . 15305 1 131 . 1 1 24 24 MET H H 1 8.407 0.01 . 1 . . . . 24 MET H . 15305 1 132 . 1 1 24 24 MET HA H 1 5.224 0.01 . 1 . . . . 24 MET HA . 15305 1 133 . 1 1 24 24 MET HB2 H 1 1.796 0.01 . 1 . . . . 24 MET HB2 . 15305 1 134 . 1 1 24 24 MET HB3 H 1 1.657 0.01 . 1 . . . . 24 MET HB3 . 15305 1 135 . 1 1 24 24 MET HG2 H 1 1.614 0.01 . 1 . . . . 24 MET HG . 15305 1 136 . 1 1 24 24 MET HG3 H 1 1.614 0.01 . 1 . . . . 24 MET HG . 15305 1 137 . 1 1 25 25 PHE H H 1 9.068 0.01 . 1 . . . . 25 PHE H . 15305 1 138 . 1 1 25 25 PHE HA H 1 4.951 0.01 . 1 . . . . 25 PHE HA . 15305 1 139 . 1 1 25 25 PHE HB2 H 1 2.905 0.01 . 1 . . . . 25 PHE HB2 . 15305 1 140 . 1 1 25 25 PHE HB3 H 1 2.905 0.01 . 1 . . . . 25 PHE HB3 . 15305 1 141 . 1 1 25 25 PHE HD1 H 1 6.923 0.01 . 1 . . . . 25 PHE HD1 . 15305 1 142 . 1 1 25 25 PHE HD2 H 1 6.923 0.01 . 1 . . . . 25 PHE HD2 . 15305 1 143 . 1 1 25 25 PHE HE1 H 1 7.093 0.01 . 1 . . . . 25 PHE HE1 . 15305 1 144 . 1 1 25 25 PHE HE2 H 1 7.093 0.01 . 1 . . . . 25 PHE HE2 . 15305 1 145 . 1 1 25 25 PHE HZ H 1 7.235 0.01 . 1 . . . . 25 PHE HZ . 15305 1 146 . 1 1 26 26 MET H H 1 9.387 0.01 . 1 . . . . 26 MET H . 15305 1 147 . 1 1 26 26 MET HA H 1 5.095 0.01 . 1 . . . . 26 MET HA . 15305 1 148 . 1 1 26 26 MET HB2 H 1 2.284 0.01 . 2 . . . . 26 MET HB2 . 15305 1 149 . 1 1 26 26 MET HB3 H 1 1.972 0.01 . 2 . . . . 26 MET HB3 . 15305 1 150 . 1 1 26 26 MET HG3 H 1 2.608 0.01 . 2 . . . . 26 MET HG3 . 15305 1 151 . 1 1 27 27 VAL H H 1 8.101 0.01 . 1 . . . . 27 VAL H . 15305 1 152 . 1 1 27 27 VAL HA H 1 3.579 0.01 . 1 . . . . 27 VAL HA . 15305 1 153 . 1 1 27 27 VAL HG11 H 1 0.932 0.01 . 2 . . . . 27 VAL HG1 . 15305 1 154 . 1 1 27 27 VAL HG12 H 1 0.932 0.01 . 2 . . . . 27 VAL HG1 . 15305 1 155 . 1 1 27 27 VAL HG13 H 1 0.932 0.01 . 2 . . . . 27 VAL HG1 . 15305 1 156 . 1 1 28 28 ALA H H 1 8.35 0.01 . 1 . . . . 28 ALA H . 15305 1 157 . 1 1 28 28 ALA HA H 1 4.254 0.01 . 1 . . . . 28 ALA HA . 15305 1 158 . 1 1 28 28 ALA HB1 H 1 1.492 0.01 . 1 . . . . 28 ALA HB . 15305 1 159 . 1 1 28 28 ALA HB2 H 1 1.492 0.01 . 1 . . . . 28 ALA HB . 15305 1 160 . 1 1 28 28 ALA HB3 H 1 1.492 0.01 . 1 . . . . 28 ALA HB . 15305 1 161 . 1 1 29 29 THR H H 1 7.409 0.01 . 1 . . . . 29 THR H . 15305 1 162 . 1 1 29 29 THR HA H 1 4.81 0.01 . 1 . . . . 29 THR HA . 15305 1 163 . 1 1 29 29 THR HB H 1 4.325 0.01 . 1 . . . . 29 THR HB . 15305 1 164 . 1 1 29 29 THR HG21 H 1 1.205 0.01 . 1 . . . . 29 THR HG2 . 15305 1 165 . 1 1 29 29 THR HG22 H 1 1.205 0.01 . 1 . . . . 29 THR HG2 . 15305 1 166 . 1 1 29 29 THR HG23 H 1 1.205 0.01 . 1 . . . . 29 THR HG2 . 15305 1 167 . 1 1 30 30 PRO HA H 1 4.292 0.01 . 1 . . . . 30 PRO HA . 15305 1 168 . 1 1 30 30 PRO HB2 H 1 1.953 0.01 . 1 . . . . 30 PRO HB2 . 15305 1 169 . 1 1 30 30 PRO HB3 H 1 1.953 0.01 . 1 . . . . 30 PRO HB3 . 15305 1 170 . 1 1 30 30 PRO HD2 H 1 3.595 0.01 . 1 . . . . 30 PRO HD2 . 15305 1 171 . 1 1 30 30 PRO HD3 H 1 3.595 0.01 . 1 . . . . 30 PRO HD3 . 15305 1 172 . 1 1 31 31 LYS H H 1 8.157 0.01 . 1 . . . . 31 LYS H . 15305 1 173 . 1 1 31 31 LYS HA H 1 4.124 0.01 . 1 . . . . 31 LYS HA . 15305 1 174 . 1 1 31 31 LYS HB2 H 1 1.845 0.01 . 2 . . . . 31 LYS HB2 . 15305 1 175 . 1 1 31 31 LYS HB3 H 1 1.775 0.01 . 2 . . . . 31 LYS HB3 . 15305 1 176 . 1 1 31 31 LYS HD2 H 1 1.444 0.01 . 2 . . . . 31 LYS HD2 . 15305 1 177 . 1 1 32 32 VAL H H 1 7.506 0.01 . 1 . . . . 32 VAL H . 15305 1 178 . 1 1 32 32 VAL HA H 1 4.702 0.01 . 1 . . . . 32 VAL HA . 15305 1 179 . 1 1 32 32 VAL HB H 1 2.145 0.01 . 1 . . . . 32 VAL HB . 15305 1 180 . 1 1 32 32 VAL HG11 H 1 1.01 0.01 . 2 . . . . 32 VAL HG1 . 15305 1 181 . 1 1 32 32 VAL HG12 H 1 1.01 0.01 . 2 . . . . 32 VAL HG1 . 15305 1 182 . 1 1 32 32 VAL HG13 H 1 1.01 0.01 . 2 . . . . 32 VAL HG1 . 15305 1 183 . 1 1 32 32 VAL HG21 H 1 0.923 0.01 . 2 . . . . 32 VAL HG2 . 15305 1 184 . 1 1 32 32 VAL HG22 H 1 0.923 0.01 . 2 . . . . 32 VAL HG2 . 15305 1 185 . 1 1 32 32 VAL HG23 H 1 0.923 0.01 . 2 . . . . 32 VAL HG2 . 15305 1 186 . 1 1 33 33 PRO HA H 1 4.318 0.01 . 1 . . . . 33 PRO HA . 15305 1 187 . 1 1 33 33 PRO HB3 H 1 1.695 0.01 . 2 . . . . 33 PRO HB3 . 15305 1 188 . 1 1 33 33 PRO HD2 H 1 3.918 0.01 . 2 . . . . 33 PRO HD . 15305 1 189 . 1 1 33 33 PRO HD3 H 1 3.918 0.01 . 2 . . . . 33 PRO HD . 15305 1 190 . 1 1 34 34 VAL H H 1 8.754 0.01 . 1 . . . . 34 VAL H . 15305 1 191 . 1 1 34 34 VAL HA H 1 4.314 0.01 . 1 . . . . 34 VAL HA . 15305 1 192 . 1 1 34 34 VAL HB H 1 2.141 0.01 . 1 . . . . 34 VAL HB . 15305 1 193 . 1 1 34 34 VAL HG11 H 1 1.052 0.01 . 2 . . . . 34 VAL HG1 . 15305 1 194 . 1 1 34 34 VAL HG12 H 1 1.052 0.01 . 2 . . . . 34 VAL HG1 . 15305 1 195 . 1 1 34 34 VAL HG13 H 1 1.052 0.01 . 2 . . . . 34 VAL HG1 . 15305 1 196 . 1 1 34 34 VAL HG21 H 1 0.962 0.01 . 2 . . . . 34 VAL HG2 . 15305 1 197 . 1 1 34 34 VAL HG22 H 1 0.962 0.01 . 2 . . . . 34 VAL HG2 . 15305 1 198 . 1 1 34 34 VAL HG23 H 1 0.962 0.01 . 2 . . . . 34 VAL HG2 . 15305 1 199 . 1 1 35 35 LYS H H 1 7.358 0.01 . 1 . . . . 35 LYS H . 15305 1 200 . 1 1 35 35 LYS HA H 1 4.605 0.01 . 1 . . . . 35 LYS HA . 15305 1 201 . 1 1 35 35 LYS HB2 H 1 1.762 0.01 . 2 . . . . 35 LYS HB2 . 15305 1 202 . 1 1 35 35 LYS HB3 H 1 1.644 0.01 . 2 . . . . 35 LYS HB3 . 15305 1 203 . 1 1 35 35 LYS HD2 H 1 2.03 0.01 . 1 . . . . 35 LYS HD2 . 15305 1 204 . 1 1 35 35 LYS HD3 H 1 2.03 0.01 . 1 . . . . 35 LYS HD3 . 15305 1 205 . 1 1 35 35 LYS HG2 H 1 1.791 0.01 . 1 . . . . 35 LYS HG2 . 15305 1 206 . 1 1 35 35 LYS HG3 H 1 1.791 0.01 . 1 . . . . 35 LYS HG3 . 15305 1 207 . 1 1 36 36 ARG H H 1 8.229 0.01 . 1 . . . . 36 ARG H . 15305 1 208 . 1 1 36 36 ARG HA H 1 4.413 0.01 . 1 . . . . 36 ARG HA . 15305 1 209 . 1 1 36 36 ARG HB2 H 1 1.671 0.01 . 2 . . . . 36 ARG HB2 . 15305 1 210 . 1 1 36 36 ARG HB3 H 1 1.539 0.01 . 2 . . . . 36 ARG HB3 . 15305 1 211 . 1 1 36 36 ARG HG2 H 1 1.081 0.01 . 1 . . . . 36 ARG HG2 . 15305 1 212 . 1 1 36 36 ARG HG3 H 1 1.081 0.01 . 1 . . . . 36 ARG HG3 . 15305 1 213 . 1 1 37 37 GLY H H 1 6.469 0.01 . 1 . . . . 37 GLY H . 15305 1 214 . 1 1 37 37 GLY HA2 H 1 4.37 0.01 . 2 . . . . 37 GLY HA2 . 15305 1 215 . 1 1 37 37 GLY HA3 H 1 3.825 0.01 . 2 . . . . 37 GLY HA3 . 15305 1 216 . 1 1 38 38 CYS H H 1 9.235 0.01 . 1 . . . . 38 CYS H . 15305 1 217 . 1 1 38 38 CYS HA H 1 5.967 0.01 . 1 . . . . 38 CYS HA . 15305 1 218 . 1 1 38 38 CYS HB2 H 1 3.562 0.01 . 2 . . . . 38 CYS HB2 . 15305 1 219 . 1 1 38 38 CYS HB3 H 1 2.933 0.01 . 2 . . . . 38 CYS HB3 . 15305 1 220 . 1 1 39 39 ILE H H 1 9.897 0.01 . 1 . . . . 39 ILE H . 15305 1 221 . 1 1 39 39 ILE HA H 1 4.456 0.01 . 1 . . . . 39 ILE HA . 15305 1 222 . 1 1 39 39 ILE HB H 1 1.723 0.01 . 1 . . . . 39 ILE HB . 15305 1 223 . 1 1 39 39 ILE HD11 H 1 0.445 0.01 . 1 . . . . 39 ILE HD1 . 15305 1 224 . 1 1 39 39 ILE HD12 H 1 0.445 0.01 . 1 . . . . 39 ILE HD1 . 15305 1 225 . 1 1 39 39 ILE HD13 H 1 0.445 0.01 . 1 . . . . 39 ILE HD1 . 15305 1 226 . 1 1 39 39 ILE HG12 H 1 1.428 0.01 . 1 . . . . 39 ILE HG12 . 15305 1 227 . 1 1 39 39 ILE HG13 H 1 1.374 0.01 . 1 . . . . 39 ILE HG13 . 15305 1 228 . 1 1 39 39 ILE HG21 H 1 0.589 0.01 . 1 . . . . 39 ILE HG2 . 15305 1 229 . 1 1 39 39 ILE HG22 H 1 0.589 0.01 . 1 . . . . 39 ILE HG2 . 15305 1 230 . 1 1 39 39 ILE HG23 H 1 0.589 0.01 . 1 . . . . 39 ILE HG2 . 15305 1 231 . 1 1 40 40 ASP H H 1 8.745 0.01 . 1 . . . . 40 ASP H . 15305 1 232 . 1 1 40 40 ASP HA H 1 4.865 0.01 . 1 . . . . 40 ASP HA . 15305 1 233 . 1 1 40 40 ASP HB2 H 1 2.784 0.01 . 1 . . . . 40 ASP HB2 . 15305 1 234 . 1 1 40 40 ASP HB3 H 1 2.784 0.01 . 1 . . . . 40 ASP HB3 . 15305 1 235 . 1 1 41 41 VAL H H 1 7.716 0.01 . 1 . . . . 41 VAL H . 15305 1 236 . 1 1 41 41 VAL HA H 1 4.031 0.01 . 1 . . . . 41 VAL HA . 15305 1 237 . 1 1 41 41 VAL HB H 1 1.741 0.01 . 1 . . . . 41 VAL HB . 15305 1 238 . 1 1 41 41 VAL HG11 H 1 0.768 0.01 . 1 . . . . 41 VAL HG1 . 15305 1 239 . 1 1 41 41 VAL HG12 H 1 0.768 0.01 . 1 . . . . 41 VAL HG1 . 15305 1 240 . 1 1 41 41 VAL HG13 H 1 0.768 0.01 . 1 . . . . 41 VAL HG1 . 15305 1 241 . 1 1 41 41 VAL HG21 H 1 0.768 0.01 . 1 . . . . 41 VAL HG2 . 15305 1 242 . 1 1 41 41 VAL HG22 H 1 0.768 0.01 . 1 . . . . 41 VAL HG2 . 15305 1 243 . 1 1 41 41 VAL HG23 H 1 0.768 0.01 . 1 . . . . 41 VAL HG2 . 15305 1 244 . 1 1 42 42 CYS H H 1 8.766 0.01 . 1 . . . . 42 CYS H . 15305 1 245 . 1 1 42 42 CYS HA H 1 4.484 0.01 . 1 . . . . 42 CYS HA . 15305 1 246 . 1 1 42 42 CYS HB2 H 1 3.101 0.01 . 2 . . . . 42 CYS HB2 . 15305 1 247 . 1 1 42 42 CYS HB3 H 1 2.768 0.01 . 2 . . . . 42 CYS HB3 . 15305 1 248 . 1 1 43 43 PRO HA H 1 4.072 0.01 . 1 . . . . 43 PRO HA . 15305 1 249 . 1 1 43 43 PRO HD3 H 1 2.485 0.01 . 2 . . . . 43 PRO HD3 . 15305 1 250 . 1 1 44 44 LYS H H 1 7.911 0.01 . 1 . . . . 44 LYS H . 15305 1 251 . 1 1 44 44 LYS HA H 1 4.21 0.01 . 1 . . . . 44 LYS HA . 15305 1 252 . 1 1 44 44 LYS HB2 H 1 1.753 0.01 . 1 . . . . 44 LYS HB2 . 15305 1 253 . 1 1 44 44 LYS HB3 H 1 1.753 0.01 . 1 . . . . 44 LYS HB3 . 15305 1 254 . 1 1 44 44 LYS HD2 H 1 1.819 0.01 . 1 . . . . 44 LYS HD2 . 15305 1 255 . 1 1 44 44 LYS HD3 H 1 1.819 0.01 . 1 . . . . 44 LYS HD3 . 15305 1 256 . 1 1 44 44 LYS HG2 H 1 1.567 0.01 . 1 . . . . 44 LYS HG2 . 15305 1 257 . 1 1 44 44 LYS HG3 H 1 1.567 0.01 . 1 . . . . 44 LYS HG3 . 15305 1 258 . 1 1 45 45 SER H H 1 8.441 0.01 . 1 . . . . 45 SER H . 15305 1 259 . 1 1 45 45 SER HA H 1 4.78 0.01 . 1 . . . . 45 SER HA . 15305 1 260 . 1 1 45 45 SER HB3 H 1 4.052 0.01 . 2 . . . . 45 SER HB3 . 15305 1 261 . 1 1 46 46 SER H H 1 9.309 0.01 . 1 . . . . 46 SER H . 15305 1 262 . 1 1 46 46 SER HA H 1 4.986 0.01 . 1 . . . . 46 SER HA . 15305 1 263 . 1 1 47 47 LEU H H 1 8.11 0.01 . 1 . . . . 47 LEU H . 15305 1 264 . 1 1 47 47 LEU HA H 1 4.296 0.01 . 1 . . . . 47 LEU HA . 15305 1 265 . 1 1 47 47 LEU HD11 H 1 0.776 0.01 . 1 . . . . 47 LEU HD1 . 15305 1 266 . 1 1 47 47 LEU HD12 H 1 0.776 0.01 . 1 . . . . 47 LEU HD1 . 15305 1 267 . 1 1 47 47 LEU HD13 H 1 0.776 0.01 . 1 . . . . 47 LEU HD1 . 15305 1 268 . 1 1 47 47 LEU HD21 H 1 0.776 0.01 . 1 . . . . 47 LEU HD2 . 15305 1 269 . 1 1 47 47 LEU HD22 H 1 0.776 0.01 . 1 . . . . 47 LEU HD2 . 15305 1 270 . 1 1 47 47 LEU HD23 H 1 0.776 0.01 . 1 . . . . 47 LEU HD2 . 15305 1 271 . 1 1 48 48 LEU H H 1 8.01 0.01 . 1 . . . . 48 LEU H . 15305 1 272 . 1 1 48 48 LEU HA H 1 4.578 0.01 . 1 . . . . 48 LEU HA . 15305 1 273 . 1 1 48 48 LEU HB2 H 1 1.732 0.01 . 1 . . . . 48 LEU HB2 . 15305 1 274 . 1 1 48 48 LEU HB3 H 1 1.732 0.01 . 1 . . . . 48 LEU HB3 . 15305 1 275 . 1 1 48 48 LEU HG H 1 1.664 0.01 . 1 . . . . 48 LEU HG . 15305 1 276 . 1 1 49 49 VAL H H 1 7.472 0.01 . 1 . . . . 49 VAL H . 15305 1 277 . 1 1 49 49 VAL HA H 1 4.813 0.01 . 1 . . . . 49 VAL HA . 15305 1 278 . 1 1 49 49 VAL HB H 1 1.902 0.01 . 1 . . . . 49 VAL HB . 15305 1 279 . 1 1 49 49 VAL HG11 H 1 0.882 0.01 . 2 . . . . 49 VAL HG1 . 15305 1 280 . 1 1 49 49 VAL HG12 H 1 0.882 0.01 . 2 . . . . 49 VAL HG1 . 15305 1 281 . 1 1 49 49 VAL HG13 H 1 0.882 0.01 . 2 . . . . 49 VAL HG1 . 15305 1 282 . 1 1 49 49 VAL HG21 H 1 0.771 0.01 . 2 . . . . 49 VAL HG2 . 15305 1 283 . 1 1 49 49 VAL HG22 H 1 0.771 0.01 . 2 . . . . 49 VAL HG2 . 15305 1 284 . 1 1 49 49 VAL HG23 H 1 0.771 0.01 . 2 . . . . 49 VAL HG2 . 15305 1 285 . 1 1 50 50 LYS H H 1 8.685 0.01 . 1 . . . . 50 LYS H . 15305 1 286 . 1 1 50 50 LYS HA H 1 4.778 0.01 . 1 . . . . 50 LYS HA . 15305 1 287 . 1 1 50 50 LYS HB2 H 1 1.378 0.01 . 1 . . . . 50 LYS HB2 . 15305 1 288 . 1 1 50 50 LYS HG2 H 1 1.237 0.01 . 2 . . . . 50 LYS HG2 . 15305 1 289 . 1 1 50 50 LYS HG3 H 1 1.14 0.01 . 2 . . . . 50 LYS HG3 . 15305 1 290 . 1 1 51 51 TYR H H 1 8.29 0.01 . 1 . . . . 51 TYR H . 15305 1 291 . 1 1 51 51 TYR HA H 1 5.277 0.01 . 1 . . . . 51 TYR HA . 15305 1 292 . 1 1 51 51 TYR HB2 H 1 2.823 0.01 . 2 . . . . 51 TYR HB2 . 15305 1 293 . 1 1 51 51 TYR HB3 H 1 2.649 0.01 . 2 . . . . 51 TYR HB3 . 15305 1 294 . 1 1 51 51 TYR HD1 H 1 6.737 0.01 . 1 . . . . 51 TYR HD1 . 15305 1 295 . 1 1 51 51 TYR HD2 H 1 6.737 0.01 . 1 . . . . 51 TYR HD2 . 15305 1 296 . 1 1 51 51 TYR HE1 H 1 6.511 0.01 . 1 . . . . 51 TYR HE1 . 15305 1 297 . 1 1 51 51 TYR HE2 H 1 6.511 0.01 . 1 . . . . 51 TYR HE2 . 15305 1 298 . 1 1 52 52 VAL H H 1 8.904 0.01 . 1 . . . . 52 VAL H . 15305 1 299 . 1 1 52 52 VAL HA H 1 4.54 0.01 . 1 . . . . 52 VAL HA . 15305 1 300 . 1 1 52 52 VAL HB H 1 2.081 0.01 . 1 . . . . 52 VAL HB . 15305 1 301 . 1 1 52 52 VAL HG11 H 1 1.153 0.01 . 2 . . . . 52 VAL HG1 . 15305 1 302 . 1 1 52 52 VAL HG12 H 1 1.153 0.01 . 2 . . . . 52 VAL HG1 . 15305 1 303 . 1 1 52 52 VAL HG13 H 1 1.153 0.01 . 2 . . . . 52 VAL HG1 . 15305 1 304 . 1 1 52 52 VAL HG21 H 1 1.077 0.01 . 2 . . . . 52 VAL HG2 . 15305 1 305 . 1 1 52 52 VAL HG22 H 1 1.077 0.01 . 2 . . . . 52 VAL HG2 . 15305 1 306 . 1 1 52 52 VAL HG23 H 1 1.077 0.01 . 2 . . . . 52 VAL HG2 . 15305 1 307 . 1 1 53 53 CYS H H 1 9.305 0.01 . 1 . . . . 53 CYS H . 15305 1 308 . 1 1 53 53 CYS HA H 1 5.895 0.01 . 1 . . . . 53 CYS HA . 15305 1 309 . 1 1 53 53 CYS HB2 H 1 3.797 0.01 . 2 . . . . 53 CYS HB2 . 15305 1 310 . 1 1 53 53 CYS HB3 H 1 3.069 0.01 . 1 . . . . 53 CYS HB3 . 15305 1 311 . 1 1 54 54 CYS H H 1 9.147 0.01 . 1 . . . . 54 CYS H . 15305 1 312 . 1 1 54 54 CYS HA H 1 5.115 0.01 . 1 . . . . 54 CYS HA . 15305 1 313 . 1 1 54 54 CYS HB2 H 1 3.643 0.01 . 2 . . . . 54 CYS HB2 . 15305 1 314 . 1 1 55 55 ASN H H 1 8.546 0.01 . 1 . . . . 55 ASN H . 15305 1 315 . 1 1 55 55 ASN HA H 1 5.15 0.01 . 1 . . . . 55 ASN HA . 15305 1 316 . 1 1 55 55 ASN HB2 H 1 3.374 0.01 . 2 . . . . 55 ASN HB2 . 15305 1 317 . 1 1 55 55 ASN HB3 H 1 2.348 0.01 . 2 . . . . 55 ASN HB3 . 15305 1 318 . 1 1 55 55 ASN HD21 H 1 6.696 0.01 . 2 . . . . 55 ASN HD21 . 15305 1 319 . 1 1 55 55 ASN HD22 H 1 7.452 0.01 . 2 . . . . 55 ASN HD22 . 15305 1 320 . 1 1 56 56 THR H H 1 7.547 0.01 . 1 . . . . 56 THR H . 15305 1 321 . 1 1 56 56 THR HA H 1 4.698 0.01 . 1 . . . . 56 THR HA . 15305 1 322 . 1 1 56 56 THR HG21 H 1 1.205 0.01 . 1 . . . . 56 THR HG2 . 15305 1 323 . 1 1 56 56 THR HG22 H 1 1.205 0.01 . 1 . . . . 56 THR HG2 . 15305 1 324 . 1 1 56 56 THR HG23 H 1 1.205 0.01 . 1 . . . . 56 THR HG2 . 15305 1 325 . 1 1 57 57 ASP H H 1 8.112 0.01 . 1 . . . . 57 ASP H . 15305 1 326 . 1 1 57 57 ASP HA H 1 4.833 0.01 . 1 . . . . 57 ASP HA . 15305 1 327 . 1 1 57 57 ASP HB2 H 1 2.499 0.01 . 2 . . . . 57 ASP HB2 . 15305 1 328 . 1 1 58 58 ARG H H 1 9.611 0.01 . 1 . . . . 58 ARG H . 15305 1 329 . 1 1 58 58 ARG HA H 1 3.409 0.01 . 1 . . . . 58 ARG HA . 15305 1 330 . 1 1 58 58 ARG HB2 H 1 1.783 0.01 . 2 . . . . 58 ARG HB2 . 15305 1 331 . 1 1 58 58 ARG HB3 H 1 1.377 0.01 . 2 . . . . 58 ARG HB3 . 15305 1 332 . 1 1 58 58 ARG HD2 H 1 2.279 0.01 . 1 . . . . 58 ARG HD2 . 15305 1 333 . 1 1 58 58 ARG HD3 H 1 2.175 0.01 . 1 . . . . 58 ARG HD3 . 15305 1 334 . 1 1 58 58 ARG HG2 H 1 0.781 0.01 . 1 . . . . 58 ARG HG2 . 15305 1 335 . 1 1 58 58 ARG HG3 H 1 0.781 0.01 . 1 . . . . 58 ARG HG3 . 15305 1 336 . 1 1 59 59 CYS H H 1 7.552 0.01 . 1 . . . . 59 CYS H . 15305 1 337 . 1 1 59 59 CYS HA H 1 4.466 0.01 . 1 . . . . 59 CYS HA . 15305 1 338 . 1 1 59 59 CYS HB2 H 1 3.64 0.01 . 2 . . . . 59 CYS HB2 . 15305 1 339 . 1 1 59 59 CYS HB3 H 1 3.381 0.01 . 2 . . . . 59 CYS HB3 . 15305 1 340 . 1 1 60 60 ASN H H 1 9.086 0.01 . 1 . . . . 60 ASN H . 15305 1 341 . 1 1 60 60 ASN HA H 1 4.374 0.01 . 1 . . . . 60 ASN HA . 15305 1 342 . 1 1 60 60 ASN HB2 H 1 2.717 0.01 . 2 . . . . 60 ASN HB2 . 15305 1 343 . 1 1 60 60 ASN HB3 H 1 2.348 0.01 . 2 . . . . 60 ASN HB3 . 15305 1 344 . 1 1 60 60 ASN HD21 H 1 7.451 0.01 . 2 . . . . 60 ASN HD21 . 15305 1 345 . 1 1 60 60 ASN HD22 H 1 7.579 0.01 . 2 . . . . 60 ASN HD22 . 15305 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 15305 _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 1 '2D 1H-1H NOESY' . . . 15305 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 4.182 0.01 . 1 . . . . 1 LEU HA . 15305 2 2 . 1 1 1 1 LEU HD11 H 1 0.759 0.01 . 2 . . . . 1 LEU HD1 . 15305 2 3 . 1 1 1 1 LEU HD12 H 1 0.759 0.01 . 2 . . . . 1 LEU HD1 . 15305 2 4 . 1 1 1 1 LEU HD13 H 1 0.759 0.01 . 2 . . . . 1 LEU HD1 . 15305 2 5 . 1 1 1 1 LEU HD21 H 1 0.759 0.01 . 2 . . . . 1 LEU HD2 . 15305 2 6 . 1 1 1 1 LEU HD22 H 1 0.759 0.01 . 2 . . . . 1 LEU HD2 . 15305 2 7 . 1 1 1 1 LEU HD23 H 1 0.759 0.01 . 2 . . . . 1 LEU HD2 . 15305 2 8 . 1 1 2 2 LYS H H 1 8.576 0.01 . 1 . . . . 2 LYS H . 15305 2 9 . 1 1 2 2 LYS HA H 1 5.49 0.01 . 1 . . . . 2 LYS HA . 15305 2 10 . 1 1 2 2 LYS HB2 H 1 1.401 0.01 . 1 . . . . 2 LYS HB2 . 15305 2 11 . 1 1 2 2 LYS HB3 H 1 1.401 0.01 . 1 . . . . 2 LYS HB3 . 15305 2 12 . 1 1 2 2 LYS HD2 H 1 1.524 0.01 . 1 . . . . 2 LYS HD2 . 15305 2 13 . 1 1 2 2 LYS HD3 H 1 1.524 0.01 . 1 . . . . 2 LYS HD3 . 15305 2 14 . 1 1 3 3 CYS H H 1 8.796 0.01 . 1 . . . . 3 CYS H . 15305 2 15 . 1 1 3 3 CYS HA H 1 5.132 0.01 . 1 . . . . 3 CYS HA . 15305 2 16 . 1 1 3 3 CYS HB2 H 1 2.868 0.01 . 2 . . . . 3 CYS HB2 . 15305 2 17 . 1 1 3 3 CYS HB3 H 1 2.41 0.01 . 2 . . . . 3 CYS HB3 . 15305 2 18 . 1 1 4 4 ASN H H 1 9.827 0.01 . 1 . . . . 4 ASN H . 15305 2 19 . 1 1 4 4 ASN HA H 1 5.038 0.01 . 1 . . . . 4 ASN HA . 15305 2 20 . 1 1 4 4 ASN HB2 H 1 2.673 0.01 . 2 . . . . 4 ASN HB2 . 15305 2 21 . 1 1 4 4 ASN HB3 H 1 2.264 0.01 . 2 . . . . 4 ASN HB3 . 15305 2 22 . 1 1 4 4 ASN HD21 H 1 7.532 0.01 . 2 . . . . 4 ASN HD21 . 15305 2 23 . 1 1 4 4 ASN HD22 H 1 6.467 0.01 . 2 . . . . 4 ASN HD22 . 15305 2 24 . 1 1 5 5 LYS H H 1 7.885 0.01 . 1 . . . . 5 LYS H . 15305 2 25 . 1 1 5 5 LYS HA H 1 4.226 0.01 . 1 . . . . 5 LYS HA . 15305 2 26 . 1 1 5 5 LYS HB2 H 1 1.528 0.01 . 1 . . . . 5 LYS HB2 . 15305 2 27 . 1 1 5 5 LYS HB3 H 1 1.528 0.01 . 1 . . . . 5 LYS HB3 . 15305 2 28 . 1 1 5 5 LYS HE2 H 1 3.614 0.01 . 1 . . . . 5 LYS HE2 . 15305 2 29 . 1 1 5 5 LYS HE3 H 1 3.614 0.01 . 1 . . . . 5 LYS HE3 . 15305 2 30 . 1 1 5 5 LYS HG3 H 1 1.234 0.01 . 2 . . . . 5 LYS HG3 . 15305 2 31 . 1 1 6 6 LEU H H 1 8.17 0.01 . 1 . . . . 6 LEU H . 15305 2 32 . 1 1 6 6 LEU HA H 1 3.633 0.01 . 1 . . . . 6 LEU HA . 15305 2 33 . 1 1 6 6 LEU HB2 H 1 1.658 0.01 . 2 . . . . 6 LEU HB2 . 15305 2 34 . 1 1 6 6 LEU HB3 H 1 1.519 0.01 . 2 . . . . 6 LEU HB3 . 15305 2 35 . 1 1 6 6 LEU HD11 H 1 1.004 0.01 . 1 . . . . 6 LEU HD1 . 15305 2 36 . 1 1 6 6 LEU HD12 H 1 1.004 0.01 . 1 . . . . 6 LEU HD1 . 15305 2 37 . 1 1 6 6 LEU HD13 H 1 1.004 0.01 . 1 . . . . 6 LEU HD1 . 15305 2 38 . 1 1 6 6 LEU HD21 H 1 0.826 0.01 . 1 . . . . 6 LEU HD2 . 15305 2 39 . 1 1 6 6 LEU HD22 H 1 0.826 0.01 . 1 . . . . 6 LEU HD2 . 15305 2 40 . 1 1 6 6 LEU HD23 H 1 0.826 0.01 . 1 . . . . 6 LEU HD2 . 15305 2 41 . 1 1 7 7 VAL H H 1 7.549 0.01 . 1 . . . . 7 VAL H . 15305 2 42 . 1 1 7 7 VAL HA H 1 4.429 0.01 . 1 . . . . 7 VAL HA . 15305 2 43 . 1 1 7 7 VAL HB H 1 2.327 0.01 . 1 . . . . 7 VAL HB . 15305 2 44 . 1 1 7 7 VAL HG11 H 1 1.164 0.01 . 1 . . . . 7 VAL HG1 . 15305 2 45 . 1 1 7 7 VAL HG12 H 1 1.164 0.01 . 1 . . . . 7 VAL HG1 . 15305 2 46 . 1 1 7 7 VAL HG13 H 1 1.164 0.01 . 1 . . . . 7 VAL HG1 . 15305 2 47 . 1 1 7 7 VAL HG21 H 1 1.164 0.01 . 1 . . . . 7 VAL HG2 . 15305 2 48 . 1 1 7 7 VAL HG22 H 1 1.164 0.01 . 1 . . . . 7 VAL HG2 . 15305 2 49 . 1 1 7 7 VAL HG23 H 1 1.164 0.01 . 1 . . . . 7 VAL HG2 . 15305 2 50 . 1 1 8 8 PRO HA H 1 4.613 0.01 . 1 . . . . 8 PRO HA . 15305 2 51 . 1 1 9 9 LEU H H 1 6.089 0.01 . 1 . . . . 9 LEU H . 15305 2 52 . 1 1 9 9 LEU HA H 1 4.06 0.01 . 1 . . . . 9 LEU HA . 15305 2 53 . 1 1 9 9 LEU HB2 H 1 1.086 0.01 . 1 . . . . 9 LEU HB2 . 15305 2 54 . 1 1 9 9 LEU HB3 H 1 0.982 0.01 . 1 . . . . 9 LEU HB3 . 15305 2 55 . 1 1 9 9 LEU HD11 H 1 0.747 0.01 . 2 . . . . 9 LEU HD1 . 15305 2 56 . 1 1 9 9 LEU HD12 H 1 0.747 0.01 . 2 . . . . 9 LEU HD1 . 15305 2 57 . 1 1 9 9 LEU HD13 H 1 0.747 0.01 . 2 . . . . 9 LEU HD1 . 15305 2 58 . 1 1 9 9 LEU HD21 H 1 0.747 0.01 . 2 . . . . 9 LEU HD2 . 15305 2 59 . 1 1 9 9 LEU HD22 H 1 0.747 0.01 . 2 . . . . 9 LEU HD2 . 15305 2 60 . 1 1 9 9 LEU HD23 H 1 0.747 0.01 . 2 . . . . 9 LEU HD2 . 15305 2 61 . 1 1 9 9 LEU HG H 1 1.328 0.01 . 1 . . . . 9 LEU HG . 15305 2 62 . 1 1 10 10 PHE H H 1 8.077 0.01 . 1 . . . . 10 PHE H . 15305 2 63 . 1 1 10 10 PHE HA H 1 4.907 0.01 . 1 . . . . 10 PHE HA . 15305 2 64 . 1 1 10 10 PHE HB2 H 1 3.335 0.01 . 2 . . . . 10 PHE HB2 . 15305 2 65 . 1 1 10 10 PHE HB3 H 1 2.789 0.01 . 2 . . . . 10 PHE HB3 . 15305 2 66 . 1 1 10 10 PHE HD1 H 1 7.209 0.01 . 1 . . . . 10 PHE HD1 . 15305 2 67 . 1 1 10 10 PHE HD2 H 1 7.209 0.01 . 1 . . . . 10 PHE HD2 . 15305 2 68 . 1 1 10 10 PHE HE1 H 1 7.324 0.01 . 1 . . . . 10 PHE HE1 . 15305 2 69 . 1 1 10 10 PHE HE2 H 1 7.324 0.01 . 1 . . . . 10 PHE HE2 . 15305 2 70 . 1 1 10 10 PHE HZ H 1 7.142 0.01 . 1 . . . . 10 PHE HZ . 15305 2 71 . 1 1 11 11 TYR H H 1 8.21 0.01 . 1 . . . . 11 TYR H . 15305 2 72 . 1 1 11 11 TYR HA H 1 5.433 0.01 . 1 . . . . 11 TYR HA . 15305 2 73 . 1 1 11 11 TYR HB2 H 1 2.922 0.01 . 2 . . . . 11 TYR HB2 . 15305 2 74 . 1 1 11 11 TYR HB3 H 1 2.657 0.01 . 2 . . . . 11 TYR HB3 . 15305 2 75 . 1 1 11 11 TYR HD1 H 1 6.711 0.01 . 1 . . . . 11 TYR HD1 . 15305 2 76 . 1 1 11 11 TYR HD2 H 1 6.711 0.01 . 1 . . . . 11 TYR HD2 . 15305 2 77 . 1 1 11 11 TYR HE1 H 1 6.799 0.01 . 1 . . . . 11 TYR HE1 . 15305 2 78 . 1 1 11 11 TYR HE2 H 1 6.799 0.01 . 1 . . . . 11 TYR HE2 . 15305 2 79 . 1 1 12 12 LYS H H 1 9.09 0.01 . 1 . . . . 12 LYS H . 15305 2 80 . 1 1 12 12 LYS HA H 1 4.873 0.01 . 1 . . . . 12 LYS HA . 15305 2 81 . 1 1 12 12 LYS HB2 H 1 1.66 0.01 . 1 . . . . 12 LYS HB2 . 15305 2 82 . 1 1 12 12 LYS HB3 H 1 1.66 0.01 . 1 . . . . 12 LYS HB3 . 15305 2 83 . 1 1 12 12 LYS HD2 H 1 1.922 0.01 . 1 . . . . 12 LYS HD2 . 15305 2 84 . 1 1 12 12 LYS HD3 H 1 1.922 0.01 . 1 . . . . 12 LYS HD3 . 15305 2 85 . 1 1 12 12 LYS HG2 H 1 1.373 0.01 . 2 . . . . 12 LYS HG2 . 15305 2 86 . 1 1 12 12 LYS HG3 H 1 1.149 0.01 . 2 . . . . 12 LYS HG3 . 15305 2 87 . 1 1 13 13 THR H H 1 8.751 0.01 . 1 . . . . 13 THR H . 15305 2 88 . 1 1 13 13 THR HA H 1 4.873 0.01 . 1 . . . . 13 THR HA . 15305 2 89 . 1 1 13 13 THR HB H 1 4.067 0.01 . 1 . . . . 13 THR HB . 15305 2 90 . 1 1 13 13 THR HG21 H 1 1.269 0.01 . 1 . . . . 13 THR HG2 . 15305 2 91 . 1 1 13 13 THR HG22 H 1 1.269 0.01 . 1 . . . . 13 THR HG2 . 15305 2 92 . 1 1 13 13 THR HG23 H 1 1.269 0.01 . 1 . . . . 13 THR HG2 . 15305 2 93 . 1 1 14 14 CYS H H 1 9.085 0.01 . 1 . . . . 14 CYS H . 15305 2 94 . 1 1 14 14 CYS HA H 1 4.964 0.01 . 1 . . . . 14 CYS HA . 15305 2 95 . 1 1 14 14 CYS HB2 H 1 3.493 0.01 . 2 . . . . 14 CYS HB2 . 15305 2 96 . 1 1 14 14 CYS HB3 H 1 2.825 0.01 . 2 . . . . 14 CYS HB3 . 15305 2 97 . 1 1 15 15 PRO HA H 1 4.582 0.01 . 1 . . . . 15 PRO HA . 15305 2 98 . 1 1 15 15 PRO HB2 H 1 2.406 0.01 . 2 . . . . 15 PRO HB2 . 15305 2 99 . 1 1 15 15 PRO HG2 H 1 1.958 0.01 . 2 . . . . 15 PRO HG2 . 15305 2 100 . 1 1 16 16 ALA H H 1 8.324 0.01 . 1 . . . . 16 ALA H . 15305 2 101 . 1 1 16 16 ALA HA H 1 4.101 0.01 . 1 . . . . 16 ALA HA . 15305 2 102 . 1 1 16 16 ALA HB1 H 1 1.376 0.01 . 1 . . . . 16 ALA HB . 15305 2 103 . 1 1 16 16 ALA HB2 H 1 1.376 0.01 . 1 . . . . 16 ALA HB . 15305 2 104 . 1 1 16 16 ALA HB3 H 1 1.376 0.01 . 1 . . . . 16 ALA HB . 15305 2 105 . 1 1 17 17 GLY H H 1 8.638 0.01 . 1 . . . . 17 GLY H . 15305 2 106 . 1 1 17 17 GLY HA2 H 1 4.249 0.01 . 1 . . . . 17 GLY HA2 . 15305 2 107 . 1 1 17 17 GLY HA3 H 1 3.673 0.01 . 1 . . . . 17 GLY HA3 . 15305 2 108 . 1 1 18 18 LYS H H 1 7.544 0.01 . 1 . . . . 18 LYS H . 15305 2 109 . 1 1 18 18 LYS HA H 1 4.254 0.01 . 1 . . . . 18 LYS HA . 15305 2 110 . 1 1 18 18 LYS HB2 H 1 1.36 0.01 . 1 . . . . 18 LYS HB2 . 15305 2 111 . 1 1 18 18 LYS HB3 H 1 1.36 0.01 . 1 . . . . 18 LYS HB3 . 15305 2 112 . 1 1 18 18 LYS HD2 H 1 1.886 0.01 . 1 . . . . 18 LYS HD2 . 15305 2 113 . 1 1 18 18 LYS HD3 H 1 1.886 0.01 . 1 . . . . 18 LYS HD3 . 15305 2 114 . 1 1 18 18 LYS HG2 H 1 1.051 0.01 . 1 . . . . 18 LYS HG2 . 15305 2 115 . 1 1 18 18 LYS HG3 H 1 1.051 0.01 . 1 . . . . 18 LYS HG3 . 15305 2 116 . 1 1 19 19 ASN H H 1 7.79 0.01 . 1 . . . . 19 ASN H . 15305 2 117 . 1 1 19 19 ASN HA H 1 4.918 0.01 . 1 . . . . 19 ASN HA . 15305 2 118 . 1 1 19 19 ASN HB2 H 1 3.008 0.01 . 2 . . . . 19 ASN HB2 . 15305 2 119 . 1 1 19 19 ASN HB3 H 1 2.645 0.01 . 2 . . . . 19 ASN HB3 . 15305 2 120 . 1 1 19 19 ASN HD21 H 1 7.391 0.01 . 2 . . . . 19 ASN HD21 . 15305 2 121 . 1 1 19 19 ASN HD22 H 1 6.863 0.01 . 2 . . . . 19 ASN HD22 . 15305 2 122 . 1 1 20 20 LEU H H 1 8.202 0.01 . 1 . . . . 20 LEU H . 15305 2 123 . 1 1 20 20 LEU HA H 1 4.845 0.01 . 1 . . . . 20 LEU HA . 15305 2 124 . 1 1 20 20 LEU HB2 H 1 1.688 0.01 . 2 . . . . 20 LEU HB2 . 15305 2 125 . 1 1 20 20 LEU HB3 H 1 1.535 0.01 . 2 . . . . 20 LEU HB3 . 15305 2 126 . 1 1 20 20 LEU HD11 H 1 0.85 0.01 . 2 . . . . 20 LEU HD1 . 15305 2 127 . 1 1 20 20 LEU HD12 H 1 0.85 0.01 . 2 . . . . 20 LEU HD1 . 15305 2 128 . 1 1 20 20 LEU HD13 H 1 0.85 0.01 . 2 . . . . 20 LEU HD1 . 15305 2 129 . 1 1 20 20 LEU HD21 H 1 0.734 0.01 . 2 . . . . 20 LEU HD2 . 15305 2 130 . 1 1 20 20 LEU HD22 H 1 0.734 0.01 . 2 . . . . 20 LEU HD2 . 15305 2 131 . 1 1 20 20 LEU HD23 H 1 0.734 0.01 . 2 . . . . 20 LEU HD2 . 15305 2 132 . 1 1 20 20 LEU HG H 1 1.371 0.01 . 1 . . . . 20 LEU HG . 15305 2 133 . 1 1 21 21 CYS H H 1 8.977 0.01 . 1 . . . . 21 CYS H . 15305 2 134 . 1 1 21 21 CYS HA H 1 6.111 0.01 . 1 . . . . 21 CYS HA . 15305 2 135 . 1 1 21 21 CYS HB2 H 1 3.059 0.01 . 2 . . . . 21 CYS HB2 . 15305 2 136 . 1 1 21 21 CYS HB3 H 1 2.924 0.01 . 2 . . . . 21 CYS HB3 . 15305 2 137 . 1 1 22 22 TYR H H 1 8.86 0.01 . 1 . . . . 22 TYR H . 15305 2 138 . 1 1 22 22 TYR HA H 1 6.101 0.01 . 1 . . . . 22 TYR HA . 15305 2 139 . 1 1 22 22 TYR HB2 H 1 3.097 0.01 . 2 . . . . 22 TYR HB2 . 15305 2 140 . 1 1 22 22 TYR HB3 H 1 2.92 0.01 . 2 . . . . 22 TYR HB3 . 15305 2 141 . 1 1 22 22 TYR HD1 H 1 6.582 0.01 . 1 . . . . 22 TYR HD1 . 15305 2 142 . 1 1 22 22 TYR HD2 H 1 6.582 0.01 . 1 . . . . 22 TYR HD2 . 15305 2 143 . 1 1 22 22 TYR HE1 H 1 6.713 0.01 . 1 . . . . 22 TYR HE1 . 15305 2 144 . 1 1 22 22 TYR HE2 H 1 6.713 0.01 . 1 . . . . 22 TYR HE2 . 15305 2 145 . 1 1 23 23 LYS H H 1 9.087 0.01 . 1 . . . . 23 LYS H . 15305 2 146 . 1 1 23 23 LYS HA H 1 4.935 0.01 . 1 . . . . 23 LYS HA . 15305 2 147 . 1 1 23 23 LYS HB2 H 1 1.681 0.01 . 1 . . . . 23 LYS HB2 . 15305 2 148 . 1 1 23 23 LYS HB3 H 1 1.681 0.01 . 1 . . . . 23 LYS HB3 . 15305 2 149 . 1 1 23 23 LYS HD2 H 1 1.712 0.01 . 1 . . . . 23 LYS HD2 . 15305 2 150 . 1 1 23 23 LYS HD3 H 1 1.712 0.01 . 1 . . . . 23 LYS HD3 . 15305 2 151 . 1 1 23 23 LYS HG2 H 1 1.423 0.01 . 1 . . . . 23 LYS HG2 . 15305 2 152 . 1 1 23 23 LYS HG3 H 1 1.423 0.01 . 1 . . . . 23 LYS HG3 . 15305 2 153 . 1 1 24 24 MET H H 1 8.538 0.01 . 1 . . . . 24 MET H . 15305 2 154 . 1 1 24 24 MET HA H 1 5.116 0.01 . 1 . . . . 24 MET HA . 15305 2 155 . 1 1 24 24 MET HB2 H 1 1.924 0.01 . 2 . . . . 24 MET HB2 . 15305 2 156 . 1 1 24 24 MET HB3 H 1 1.836 0.01 . 2 . . . . 24 MET HB3 . 15305 2 157 . 1 1 24 24 MET HG2 H 1 1.647 0.01 . 1 . . . . 24 MET HG2 . 15305 2 158 . 1 1 24 24 MET HG3 H 1 1.349 0.01 . 1 . . . . 24 MET HG3 . 15305 2 159 . 1 1 25 25 PHE H H 1 9.084 0.01 . 1 . . . . 25 PHE H . 15305 2 160 . 1 1 25 25 PHE HA H 1 4.966 0.01 . 1 . . . . 25 PHE HA . 15305 2 161 . 1 1 25 25 PHE HB2 H 1 2.952 0.01 . 1 . . . . 25 PHE HB2 . 15305 2 162 . 1 1 25 25 PHE HB3 H 1 2.952 0.01 . 1 . . . . 25 PHE HB3 . 15305 2 163 . 1 1 25 25 PHE HD1 H 1 6.973 0.01 . 1 . . . . 25 PHE HD1 . 15305 2 164 . 1 1 25 25 PHE HD2 H 1 6.973 0.01 . 1 . . . . 25 PHE HD2 . 15305 2 165 . 1 1 25 25 PHE HE1 H 1 7.068 0.01 . 1 . . . . 25 PHE HE1 . 15305 2 166 . 1 1 25 25 PHE HE2 H 1 7.068 0.01 . 1 . . . . 25 PHE HE2 . 15305 2 167 . 1 1 25 25 PHE HZ H 1 7.242 0.01 . 1 . . . . 25 PHE HZ . 15305 2 168 . 1 1 26 26 MET H H 1 9.677 0.01 . 1 . . . . 26 MET H . 15305 2 169 . 1 1 26 26 MET HA H 1 5.107 0.01 . 1 . . . . 26 MET HA . 15305 2 170 . 1 1 26 26 MET HB2 H 1 2.237 0.01 . 2 . . . . 26 MET HB2 . 15305 2 171 . 1 1 26 26 MET HB3 H 1 2.102 0.01 . 2 . . . . 26 MET HB3 . 15305 2 172 . 1 1 26 26 MET HG2 H 1 2.796 0.01 . 2 . . . . 26 MET HG2 . 15305 2 173 . 1 1 26 26 MET HG3 H 1 2.663 0.01 . 2 . . . . 26 MET HG3 . 15305 2 174 . 1 1 27 27 VAL H H 1 8.14 0.01 . 1 . . . . 27 VAL H . 15305 2 175 . 1 1 27 27 VAL HA H 1 3.637 0.01 . 1 . . . . 27 VAL HA . 15305 2 176 . 1 1 27 27 VAL HB H 1 1.857 0.01 . 1 . . . . 27 VAL HB . 15305 2 177 . 1 1 28 28 ALA H H 1 8.297 0.01 . 1 . . . . 28 ALA H . 15305 2 178 . 1 1 28 28 ALA HA H 1 4.136 0.01 . 1 . . . . 28 ALA HA . 15305 2 179 . 1 1 28 28 ALA HB1 H 1 1.487 0.01 . 1 . . . . 28 ALA HB . 15305 2 180 . 1 1 28 28 ALA HB2 H 1 1.487 0.01 . 1 . . . . 28 ALA HB . 15305 2 181 . 1 1 28 28 ALA HB3 H 1 1.487 0.01 . 1 . . . . 28 ALA HB . 15305 2 182 . 1 1 29 29 THR H H 1 7.463 0.01 . 1 . . . . 29 THR H . 15305 2 183 . 1 1 29 29 THR HA H 1 4.67 0.01 . 1 . . . . 29 THR HA . 15305 2 184 . 1 1 29 29 THR HB H 1 4.382 0.01 . 1 . . . . 29 THR HB . 15305 2 185 . 1 1 29 29 THR HG21 H 1 0.903 0.01 . 1 . . . . 29 THR HG2 . 15305 2 186 . 1 1 29 29 THR HG22 H 1 0.903 0.01 . 1 . . . . 29 THR HG2 . 15305 2 187 . 1 1 29 29 THR HG23 H 1 0.903 0.01 . 1 . . . . 29 THR HG2 . 15305 2 188 . 1 1 31 31 LYS H H 1 8.138 0.01 . 1 . . . . 31 LYS H . 15305 2 189 . 1 1 31 31 LYS HA H 1 4.232 0.01 . 1 . . . . 31 LYS HA . 15305 2 190 . 1 1 31 31 LYS HB2 H 1 1.807 0.01 . 2 . . . . 31 LYS HB2 . 15305 2 191 . 1 1 31 31 LYS HB3 H 1 1.742 0.01 . 2 . . . . 31 LYS HB3 . 15305 2 192 . 1 1 31 31 LYS HD2 H 1 1.476 0.01 . 2 . . . . 31 LYS HD2 . 15305 2 193 . 1 1 31 31 LYS HD3 H 1 1.476 0.01 . 2 . . . . 31 LYS HD3 . 15305 2 194 . 1 1 31 31 LYS HG2 H 1 1.627 0.01 . 1 . . . . 31 LYS HG2 . 15305 2 195 . 1 1 31 31 LYS HG3 H 1 1.627 0.01 . 1 . . . . 31 LYS HG3 . 15305 2 196 . 1 1 32 32 VAL H H 1 7.539 0.01 . 1 . . . . 32 VAL H . 15305 2 197 . 1 1 32 32 VAL HA H 1 4.764 0.01 . 1 . . . . 32 VAL HA . 15305 2 198 . 1 1 32 32 VAL HB H 1 1.965 0.01 . 1 . . . . 32 VAL HB . 15305 2 199 . 1 1 33 33 PRO HA H 1 4.382 0.01 . 1 . . . . 33 PRO HA . 15305 2 200 . 1 1 33 33 PRO HB2 H 1 2.01 0.01 . 1 . . . . 33 PRO HB2 . 15305 2 201 . 1 1 33 33 PRO HB3 H 1 1.689 0.01 . 1 . . . . 33 PRO HB3 . 15305 2 202 . 1 1 33 33 PRO HD2 H 1 3.96 0.01 . 2 . . . . 33 PRO HD2 . 15305 2 203 . 1 1 33 33 PRO HG2 H 1 1.639 0.01 . 1 . . . . 33 PRO HG2 . 15305 2 204 . 1 1 33 33 PRO HG3 H 1 1.639 0.01 . 1 . . . . 33 PRO HG3 . 15305 2 205 . 1 1 34 34 VAL H H 1 8.162 0.01 . 1 . . . . 34 VAL H . 15305 2 206 . 1 1 34 34 VAL HA H 1 4.398 0.01 . 1 . . . . 34 VAL HA . 15305 2 207 . 1 1 34 34 VAL HB H 1 2.345 0.01 . 1 . . . . 34 VAL HB . 15305 2 208 . 1 1 34 34 VAL HG11 H 1 1.026 0.01 . 2 . . . . 34 VAL HG1 . 15305 2 209 . 1 1 34 34 VAL HG12 H 1 1.026 0.01 . 2 . . . . 34 VAL HG1 . 15305 2 210 . 1 1 34 34 VAL HG13 H 1 1.026 0.01 . 2 . . . . 34 VAL HG1 . 15305 2 211 . 1 1 34 34 VAL HG21 H 1 0.811 0.01 . 2 . . . . 34 VAL HG2 . 15305 2 212 . 1 1 34 34 VAL HG22 H 1 0.811 0.01 . 2 . . . . 34 VAL HG2 . 15305 2 213 . 1 1 34 34 VAL HG23 H 1 0.811 0.01 . 2 . . . . 34 VAL HG2 . 15305 2 214 . 1 1 35 35 LYS H H 1 7.253 0.01 . 1 . . . . 35 LYS H . 15305 2 215 . 1 1 35 35 LYS HA H 1 4.474 0.01 . 1 . . . . 35 LYS HA . 15305 2 216 . 1 1 35 35 LYS HB2 H 1 1.679 0.01 . 1 . . . . 35 LYS HB2 . 15305 2 217 . 1 1 35 35 LYS HB3 H 1 1.531 0.01 . 1 . . . . 35 LYS HB3 . 15305 2 218 . 1 1 35 35 LYS HD2 H 1 1.945 0.01 . 1 . . . . 35 LYS HD2 . 15305 2 219 . 1 1 35 35 LYS HD3 H 1 1.945 0.01 . 1 . . . . 35 LYS HD3 . 15305 2 220 . 1 1 35 35 LYS HG2 H 1 1.823 0.01 . 1 . . . . 35 LYS HG2 . 15305 2 221 . 1 1 35 35 LYS HG3 H 1 1.823 0.01 . 1 . . . . 35 LYS HG3 . 15305 2 222 . 1 1 36 36 ARG H H 1 8.375 0.01 . 1 . . . . 36 ARG H . 15305 2 223 . 1 1 36 36 ARG HA H 1 4.415 0.01 . 1 . . . . 36 ARG HA . 15305 2 224 . 1 1 36 36 ARG HB2 H 1 1.819 0.01 . 2 . . . . 36 ARG HB2 . 15305 2 225 . 1 1 36 36 ARG HB3 H 1 1.722 0.01 . 2 . . . . 36 ARG HB3 . 15305 2 226 . 1 1 36 36 ARG HD2 H 1 3.064 0.01 . 2 . . . . 36 ARG HD2 . 15305 2 227 . 1 1 36 36 ARG HG2 H 1 0.909 0.01 . 1 . . . . 36 ARG HG2 . 15305 2 228 . 1 1 36 36 ARG HG3 H 1 0.909 0.01 . 1 . . . . 36 ARG HG3 . 15305 2 229 . 1 1 37 37 GLY H H 1 6.322 0.01 . 1 . . . . 37 GLY H . 15305 2 230 . 1 1 37 37 GLY HA2 H 1 4.37 0.01 . 2 . . . . 37 GLY HA2 . 15305 2 231 . 1 1 37 37 GLY HA3 H 1 3.73 0.01 . 2 . . . . 37 GLY HA3 . 15305 2 232 . 1 1 38 38 CYS H H 1 9.338 0.01 . 1 . . . . 38 CYS H . 15305 2 233 . 1 1 38 38 CYS HA H 1 5.961 0.01 . 1 . . . . 38 CYS HA . 15305 2 234 . 1 1 38 38 CYS HB2 H 1 3.578 0.01 . 2 . . . . 38 CYS HB2 . 15305 2 235 . 1 1 38 38 CYS HB3 H 1 2.911 0.01 . 2 . . . . 38 CYS HB3 . 15305 2 236 . 1 1 39 39 ILE H H 1 9.94 0.01 . 1 . . . . 39 ILE H . 15305 2 237 . 1 1 39 39 ILE HA H 1 4.474 0.01 . 1 . . . . 39 ILE HA . 15305 2 238 . 1 1 39 39 ILE HB H 1 1.783 0.01 . 1 . . . . 39 ILE HB . 15305 2 239 . 1 1 39 39 ILE HD11 H 1 0.483 0.01 . 1 . . . . 39 ILE HD1 . 15305 2 240 . 1 1 39 39 ILE HD12 H 1 0.483 0.01 . 1 . . . . 39 ILE HD1 . 15305 2 241 . 1 1 39 39 ILE HD13 H 1 0.483 0.01 . 1 . . . . 39 ILE HD1 . 15305 2 242 . 1 1 39 39 ILE HG12 H 1 1.433 0.01 . 1 . . . . 39 ILE HG12 . 15305 2 243 . 1 1 39 39 ILE HG13 H 1 1.367 0.01 . 1 . . . . 39 ILE HG13 . 15305 2 244 . 1 1 39 39 ILE HG21 H 1 0.605 0.01 . 1 . . . . 39 ILE HG2 . 15305 2 245 . 1 1 39 39 ILE HG22 H 1 0.605 0.01 . 1 . . . . 39 ILE HG2 . 15305 2 246 . 1 1 39 39 ILE HG23 H 1 0.605 0.01 . 1 . . . . 39 ILE HG2 . 15305 2 247 . 1 1 40 40 ASP H H 1 8.759 0.01 . 1 . . . . 40 ASP H . 15305 2 248 . 1 1 40 40 ASP HA H 1 4.854 0.01 . 1 . . . . 40 ASP HA . 15305 2 249 . 1 1 40 40 ASP HB2 H 1 2.79 0.01 . 1 . . . . 40 ASP HB2 . 15305 2 250 . 1 1 40 40 ASP HB3 H 1 2.774 0.01 . 1 . . . . 40 ASP HB3 . 15305 2 251 . 1 1 41 41 VAL H H 1 7.682 0.01 . 1 . . . . 41 VAL H . 15305 2 252 . 1 1 41 41 VAL HA H 1 4.021 0.01 . 1 . . . . 41 VAL HA . 15305 2 253 . 1 1 41 41 VAL HB H 1 1.718 0.01 . 1 . . . . 41 VAL HB . 15305 2 254 . 1 1 41 41 VAL HG11 H 1 0.76 0.01 . 1 . . . . 41 VAL HG1 . 15305 2 255 . 1 1 41 41 VAL HG12 H 1 0.76 0.01 . 1 . . . . 41 VAL HG1 . 15305 2 256 . 1 1 41 41 VAL HG13 H 1 0.76 0.01 . 1 . . . . 41 VAL HG1 . 15305 2 257 . 1 1 41 41 VAL HG21 H 1 0.76 0.01 . 1 . . . . 41 VAL HG2 . 15305 2 258 . 1 1 41 41 VAL HG22 H 1 0.76 0.01 . 1 . . . . 41 VAL HG2 . 15305 2 259 . 1 1 41 41 VAL HG23 H 1 0.76 0.01 . 1 . . . . 41 VAL HG2 . 15305 2 260 . 1 1 42 42 CYS H H 1 8.759 0.01 . 1 . . . . 42 CYS H . 15305 2 261 . 1 1 42 42 CYS HA H 1 4.486 0.01 . 1 . . . . 42 CYS HA . 15305 2 262 . 1 1 42 42 CYS HB2 H 1 3.088 0.01 . 2 . . . . 42 CYS HB2 . 15305 2 263 . 1 1 42 42 CYS HB3 H 1 2.757 0.01 . 2 . . . . 42 CYS HB3 . 15305 2 264 . 1 1 43 43 PRO HA H 1 4.075 0.01 . 1 . . . . 43 PRO HA . 15305 2 265 . 1 1 43 43 PRO HB2 H 1 1.644 0.01 . 2 . . . . 43 PRO HB2 . 15305 2 266 . 1 1 43 43 PRO HD2 H 1 3.891 0.01 . 2 . . . . 43 PRO HD2 . 15305 2 267 . 1 1 43 43 PRO HD3 H 1 2.475 0.01 . 2 . . . . 43 PRO HD3 . 15305 2 268 . 1 1 44 44 LYS H H 1 7.922 0.01 . 1 . . . . 44 LYS H . 15305 2 269 . 1 1 44 44 LYS HA H 1 4.227 0.01 . 1 . . . . 44 LYS HA . 15305 2 270 . 1 1 44 44 LYS HB2 H 1 1.743 0.01 . 1 . . . . 44 LYS HB2 . 15305 2 271 . 1 1 44 44 LYS HB3 H 1 1.743 0.01 . 1 . . . . 44 LYS HB3 . 15305 2 272 . 1 1 44 44 LYS HD2 H 1 1.841 0.01 . 1 . . . . 44 LYS HD2 . 15305 2 273 . 1 1 44 44 LYS HD3 H 1 1.841 0.01 . 1 . . . . 44 LYS HD3 . 15305 2 274 . 1 1 44 44 LYS HG2 H 1 1.534 0.01 . 1 . . . . 44 LYS HG2 . 15305 2 275 . 1 1 44 44 LYS HG3 H 1 1.534 0.01 . 1 . . . . 44 LYS HG3 . 15305 2 276 . 1 1 45 45 SER H H 1 8.412 0.01 . 1 . . . . 45 SER H . 15305 2 277 . 1 1 45 45 SER HA H 1 4.759 0.01 . 1 . . . . 45 SER HA . 15305 2 278 . 1 1 45 45 SER HB2 H 1 4.48 0.01 . 2 . . . . 45 SER HB2 . 15305 2 279 . 1 1 45 45 SER HB3 H 1 4.05 0.01 . 2 . . . . 45 SER HB3 . 15305 2 280 . 1 1 46 46 SER H H 1 9.264 0.01 . 1 . . . . 46 SER H . 15305 2 281 . 1 1 46 46 SER HA H 1 4.961 0.01 . 1 . . . . 46 SER HA . 15305 2 282 . 1 1 46 46 SER HB2 H 1 4.36 0.01 . 2 . . . . 46 SER HB2 . 15305 2 283 . 1 1 47 47 LEU H H 1 8.247 0.01 . 1 . . . . 47 LEU H . 15305 2 284 . 1 1 47 47 LEU HA H 1 4.22 0.01 . 1 . . . . 47 LEU HA . 15305 2 285 . 1 1 47 47 LEU HB2 H 1 1.747 0.01 . 1 . . . . 47 LEU HB2 . 15305 2 286 . 1 1 47 47 LEU HB3 H 1 1.747 0.01 . 1 . . . . 47 LEU HB3 . 15305 2 287 . 1 1 47 47 LEU HD11 H 1 0.974 0.01 . 1 . . . . 47 LEU HD1 . 15305 2 288 . 1 1 47 47 LEU HD12 H 1 0.974 0.01 . 1 . . . . 47 LEU HD1 . 15305 2 289 . 1 1 47 47 LEU HD13 H 1 0.974 0.01 . 1 . . . . 47 LEU HD1 . 15305 2 290 . 1 1 47 47 LEU HD21 H 1 0.822 0.01 . 1 . . . . 47 LEU HD2 . 15305 2 291 . 1 1 47 47 LEU HD22 H 1 0.822 0.01 . 1 . . . . 47 LEU HD2 . 15305 2 292 . 1 1 47 47 LEU HD23 H 1 0.822 0.01 . 1 . . . . 47 LEU HD2 . 15305 2 293 . 1 1 47 47 LEU HG H 1 1.637 0.01 . 1 . . . . 47 LEU HG . 15305 2 294 . 1 1 48 48 LEU H H 1 8.123 0.01 . 1 . . . . 48 LEU H . 15305 2 295 . 1 1 48 48 LEU HA H 1 4.561 0.01 . 1 . . . . 48 LEU HA . 15305 2 296 . 1 1 48 48 LEU HB2 H 1 1.784 0.01 . 1 . . . . 48 LEU HB2 . 15305 2 297 . 1 1 48 48 LEU HB3 H 1 1.784 0.01 . 1 . . . . 48 LEU HB3 . 15305 2 298 . 1 1 48 48 LEU HD11 H 1 0.967 0.01 . 2 . . . . 48 LEU HD1 . 15305 2 299 . 1 1 48 48 LEU HD12 H 1 0.967 0.01 . 2 . . . . 48 LEU HD1 . 15305 2 300 . 1 1 48 48 LEU HD13 H 1 0.967 0.01 . 2 . . . . 48 LEU HD1 . 15305 2 301 . 1 1 48 48 LEU HD21 H 1 0.879 0.01 . 2 . . . . 48 LEU HD2 . 15305 2 302 . 1 1 48 48 LEU HD22 H 1 0.879 0.01 . 2 . . . . 48 LEU HD2 . 15305 2 303 . 1 1 48 48 LEU HD23 H 1 0.879 0.01 . 2 . . . . 48 LEU HD2 . 15305 2 304 . 1 1 48 48 LEU HG H 1 1.627 0.01 . 2 . . . . 48 LEU HG . 15305 2 305 . 1 1 49 49 VAL H H 1 7.41 0.01 . 1 . . . . 49 VAL H . 15305 2 306 . 1 1 49 49 VAL HA H 1 4.913 0.01 . 1 . . . . 49 VAL HA . 15305 2 307 . 1 1 49 49 VAL HB H 1 1.87 0.01 . 1 . . . . 49 VAL HB . 15305 2 308 . 1 1 49 49 VAL HG11 H 1 0.865 0.01 . 2 . . . . 49 VAL HG1 . 15305 2 309 . 1 1 49 49 VAL HG12 H 1 0.865 0.01 . 2 . . . . 49 VAL HG1 . 15305 2 310 . 1 1 49 49 VAL HG13 H 1 0.865 0.01 . 2 . . . . 49 VAL HG1 . 15305 2 311 . 1 1 49 49 VAL HG21 H 1 0.767 0.01 . 2 . . . . 49 VAL HG2 . 15305 2 312 . 1 1 49 49 VAL HG22 H 1 0.767 0.01 . 2 . . . . 49 VAL HG2 . 15305 2 313 . 1 1 49 49 VAL HG23 H 1 0.767 0.01 . 2 . . . . 49 VAL HG2 . 15305 2 314 . 1 1 50 50 LYS H H 1 8.69 0.01 . 1 . . . . 50 LYS H . 15305 2 315 . 1 1 50 50 LYS HA H 1 4.781 0.01 . 1 . . . . 50 LYS HA . 15305 2 316 . 1 1 50 50 LYS HB2 H 1 1.377 0.01 . 1 . . . . 50 LYS HB2 . 15305 2 317 . 1 1 50 50 LYS HB3 H 1 1.377 0.01 . 1 . . . . 50 LYS HB3 . 15305 2 318 . 1 1 50 50 LYS HG2 H 1 1.182 0.01 . 2 . . . . 50 LYS HG2 . 15305 2 319 . 1 1 50 50 LYS HG3 H 1 0.959 0.01 . 2 . . . . 50 LYS HG3 . 15305 2 320 . 1 1 51 51 TYR H H 1 8.371 0.01 . 1 . . . . 51 TYR H . 15305 2 321 . 1 1 51 51 TYR HA H 1 5.328 0.01 . 1 . . . . 51 TYR HA . 15305 2 322 . 1 1 51 51 TYR HB2 H 1 2.824 0.01 . 2 . . . . 51 TYR HB2 . 15305 2 323 . 1 1 51 51 TYR HB3 H 1 2.649 0.01 . 2 . . . . 51 TYR HB3 . 15305 2 324 . 1 1 51 51 TYR HD1 H 1 6.713 0.01 . 1 . . . . 51 TYR HD1 . 15305 2 325 . 1 1 51 51 TYR HD2 H 1 6.713 0.01 . 1 . . . . 51 TYR HD2 . 15305 2 326 . 1 1 51 51 TYR HE1 H 1 6.438 0.01 . 1 . . . . 51 TYR HE1 . 15305 2 327 . 1 1 51 51 TYR HE2 H 1 6.438 0.01 . 1 . . . . 51 TYR HE2 . 15305 2 328 . 1 1 52 52 VAL H H 1 8.884 0.01 . 1 . . . . 52 VAL H . 15305 2 329 . 1 1 52 52 VAL HA H 1 4.532 0.01 . 1 . . . . 52 VAL HA . 15305 2 330 . 1 1 52 52 VAL HB H 1 2.068 0.01 . 1 . . . . 52 VAL HB . 15305 2 331 . 1 1 52 52 VAL HG11 H 1 1.15 0.01 . 2 . . . . 52 VAL HG1 . 15305 2 332 . 1 1 52 52 VAL HG12 H 1 1.15 0.01 . 2 . . . . 52 VAL HG1 . 15305 2 333 . 1 1 52 52 VAL HG13 H 1 1.15 0.01 . 2 . . . . 52 VAL HG1 . 15305 2 334 . 1 1 52 52 VAL HG21 H 1 1.067 0.01 . 2 . . . . 52 VAL HG2 . 15305 2 335 . 1 1 52 52 VAL HG22 H 1 1.067 0.01 . 2 . . . . 52 VAL HG2 . 15305 2 336 . 1 1 52 52 VAL HG23 H 1 1.067 0.01 . 2 . . . . 52 VAL HG2 . 15305 2 337 . 1 1 53 53 CYS H H 1 9.302 0.01 . 1 . . . . 53 CYS H . 15305 2 338 . 1 1 53 53 CYS HA H 1 5.905 0.01 . 1 . . . . 53 CYS HA . 15305 2 339 . 1 1 53 53 CYS HB2 H 1 3.774 0.01 . 2 . . . . 53 CYS HB2 . 15305 2 340 . 1 1 53 53 CYS HB3 H 1 3.05 0.01 . 2 . . . . 53 CYS HB3 . 15305 2 341 . 1 1 54 54 CYS H H 1 9.109 0.01 . 1 . . . . 54 CYS H . 15305 2 342 . 1 1 54 54 CYS HA H 1 5.098 0.01 . 1 . . . . 54 CYS HA . 15305 2 343 . 1 1 54 54 CYS HB2 H 1 3.634 0.01 . 2 . . . . 54 CYS HB2 . 15305 2 344 . 1 1 55 55 ASN H H 1 8.52 0.01 . 1 . . . . 55 ASN H . 15305 2 345 . 1 1 55 55 ASN HA H 1 5.147 0.01 . 1 . . . . 55 ASN HA . 15305 2 346 . 1 1 55 55 ASN HB2 H 1 3.378 0.01 . 2 . . . . 55 ASN HB2 . 15305 2 347 . 1 1 55 55 ASN HB3 H 1 2.633 0.01 . 2 . . . . 55 ASN HB3 . 15305 2 348 . 1 1 55 55 ASN HD21 H 1 6.685 0.01 . 2 . . . . 55 ASN HD21 . 15305 2 349 . 1 1 55 55 ASN HD22 H 1 7.435 0.01 . 2 . . . . 55 ASN HD22 . 15305 2 350 . 1 1 56 56 THR H H 1 7.541 0.01 . 1 . . . . 56 THR H . 15305 2 351 . 1 1 56 56 THR HA H 1 4.694 0.01 . 1 . . . . 56 THR HA . 15305 2 352 . 1 1 56 56 THR HG21 H 1 1.192 0.01 . 1 . . . . 56 THR HG2 . 15305 2 353 . 1 1 56 56 THR HG22 H 1 1.192 0.01 . 1 . . . . 56 THR HG2 . 15305 2 354 . 1 1 56 56 THR HG23 H 1 1.192 0.01 . 1 . . . . 56 THR HG2 . 15305 2 355 . 1 1 57 57 ASP H H 1 8.092 0.01 . 1 . . . . 57 ASP H . 15305 2 356 . 1 1 57 57 ASP HA H 1 4.82 0.01 . 1 . . . . 57 ASP HA . 15305 2 357 . 1 1 57 57 ASP HB2 H 1 2.485 0.01 . 2 . . . . 57 ASP HB2 . 15305 2 358 . 1 1 57 57 ASP HB3 H 1 2.249 0.01 . 2 . . . . 57 ASP HB3 . 15305 2 359 . 1 1 58 58 ARG H H 1 9.599 0.01 . 1 . . . . 58 ARG H . 15305 2 360 . 1 1 58 58 ARG HA H 1 3.379 0.01 . 1 . . . . 58 ARG HA . 15305 2 361 . 1 1 58 58 ARG HB3 H 1 1.363 0.01 . 2 . . . . 58 ARG HB3 . 15305 2 362 . 1 1 58 58 ARG HD2 H 1 2.484 0.01 . 1 . . . . 58 ARG HD2 . 15305 2 363 . 1 1 58 58 ARG HD3 H 1 2.155 0.01 . 1 . . . . 58 ARG HD3 . 15305 2 364 . 1 1 58 58 ARG HG2 H 1 0.753 0.01 . 1 . . . . 58 ARG HG2 . 15305 2 365 . 1 1 58 58 ARG HG3 H 1 0.753 0.01 . 1 . . . . 58 ARG HG3 . 15305 2 366 . 1 1 59 59 CYS H H 1 7.574 0.01 . 1 . . . . 59 CYS H . 15305 2 367 . 1 1 59 59 CYS HA H 1 4.428 0.01 . 1 . . . . 59 CYS HA . 15305 2 368 . 1 1 59 59 CYS HB2 H 1 3.638 0.01 . 1 . . . . 59 CYS HB2 . 15305 2 369 . 1 1 59 59 CYS HB3 H 1 3.338 0.01 . 1 . . . . 59 CYS HB3 . 15305 2 370 . 1 1 60 60 ASN H H 1 9.02 0.01 . 1 . . . . 60 ASN H . 15305 2 371 . 1 1 60 60 ASN HA H 1 4.337 0.01 . 1 . . . . 60 ASN HA . 15305 2 372 . 1 1 60 60 ASN HB2 H 1 2.631 0.01 . 2 . . . . 60 ASN HB2 . 15305 2 373 . 1 1 60 60 ASN HB3 H 1 2.271 0.01 . 2 . . . . 60 ASN HB3 . 15305 2 374 . 1 1 60 60 ASN HD21 H 1 7.556 0.01 . 2 . . . . 60 ASN HD21 . 15305 2 375 . 1 1 60 60 ASN HD22 H 1 7.556 0.01 . 2 . . . . 60 ASN HD22 . 15305 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 15305 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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' . . . 15305 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 4.187 0.01 . 1 . . . . 1 LEU HA . 15305 3 2 . 1 1 1 1 LEU HB2 H 1 1.686 0.01 . 1 . . . . 1 LEU HB2 . 15305 3 3 . 1 1 1 1 LEU HB3 H 1 1.686 0.01 . 1 . . . . 1 LEU HB3 . 15305 3 4 . 1 1 1 1 LEU HD11 H 1 0.817 0.01 . 2 . . . . 1 LEU HD1 . 15305 3 5 . 1 1 1 1 LEU HD12 H 1 0.817 0.01 . 2 . . . . 1 LEU HD1 . 15305 3 6 . 1 1 1 1 LEU HD13 H 1 0.817 0.01 . 2 . . . . 1 LEU HD1 . 15305 3 7 . 1 1 1 1 LEU HD21 H 1 0.763 0.01 . 2 . . . . 1 LEU HD2 . 15305 3 8 . 1 1 1 1 LEU HD22 H 1 0.763 0.01 . 2 . . . . 1 LEU HD2 . 15305 3 9 . 1 1 1 1 LEU HD23 H 1 0.763 0.01 . 2 . . . . 1 LEU HD2 . 15305 3 10 . 1 1 2 2 LYS H H 1 8.574 0.01 . 1 . . . . 2 LYS H . 15305 3 11 . 1 1 2 2 LYS HA H 1 5.497 0.01 . 1 . . . . 2 LYS HA . 15305 3 12 . 1 1 2 2 LYS HB2 H 1 1.401 0.01 . 1 . . . . 2 LYS HB2 . 15305 3 13 . 1 1 2 2 LYS HB3 H 1 1.401 0.01 . 1 . . . . 2 LYS HB3 . 15305 3 14 . 1 1 2 2 LYS HD2 H 1 1.524 0.01 . 1 . . . . 2 LYS HD2 . 15305 3 15 . 1 1 2 2 LYS HD3 H 1 1.524 0.01 . 1 . . . . 2 LYS HD3 . 15305 3 16 . 1 1 3 3 CYS H H 1 8.803 0.01 . 1 . . . . 3 CYS H . 15305 3 17 . 1 1 3 3 CYS HA H 1 5.136 0.01 . 1 . . . . 3 CYS HA . 15305 3 18 . 1 1 3 3 CYS HB2 H 1 2.874 0.01 . 2 . . . . 3 CYS HB2 . 15305 3 19 . 1 1 3 3 CYS HB3 H 1 2.433 0.01 . 2 . . . . 3 CYS HB3 . 15305 3 20 . 1 1 4 4 ASN H H 1 9.797 0.01 . 1 . . . . 4 ASN H . 15305 3 21 . 1 1 4 4 ASN HA H 1 5.037 0.01 . 1 . . . . 4 ASN HA . 15305 3 22 . 1 1 4 4 ASN HB2 H 1 2.7 0.01 . 2 . . . . 4 ASN HB2 . 15305 3 23 . 1 1 4 4 ASN HB3 H 1 2.291 0.01 . 2 . . . . 4 ASN HB3 . 15305 3 24 . 1 1 4 4 ASN HD21 H 1 7.605 0.01 . 2 . . . . 4 ASN HD21 . 15305 3 25 . 1 1 4 4 ASN HD22 H 1 6.475 0.01 . 2 . . . . 4 ASN HD22 . 15305 3 26 . 1 1 5 5 LYS H H 1 7.897 0.01 . 1 . . . . 5 LYS H . 15305 3 27 . 1 1 5 5 LYS HA H 1 4.245 0.01 . 1 . . . . 5 LYS HA . 15305 3 28 . 1 1 5 5 LYS HD2 H 1 2.223 0.01 . 1 . . . . 5 LYS HD2 . 15305 3 29 . 1 1 5 5 LYS HD3 H 1 2.223 0.01 . 1 . . . . 5 LYS HD3 . 15305 3 30 . 1 1 5 5 LYS HE2 H 1 3.614 0.01 . 1 . . . . 5 LYS HE2 . 15305 3 31 . 1 1 5 5 LYS HE3 H 1 3.614 0.01 . 1 . . . . 5 LYS HE3 . 15305 3 32 . 1 1 5 5 LYS HG3 H 1 1.269 0.01 . 2 . . . . 5 LYS HG3 . 15305 3 33 . 1 1 6 6 LEU H H 1 8.199 0.01 . 1 . . . . 6 LEU H . 15305 3 34 . 1 1 6 6 LEU HA H 1 3.623 0.01 . 1 . . . . 6 LEU HA . 15305 3 35 . 1 1 6 6 LEU HB2 H 1 1.658 0.01 . 2 . . . . 6 LEU HB2 . 15305 3 36 . 1 1 6 6 LEU HB3 H 1 1.533 0.01 . 2 . . . . 6 LEU HB3 . 15305 3 37 . 1 1 6 6 LEU HD11 H 1 1.004 0.01 . 1 . . . . 6 LEU HD1 . 15305 3 38 . 1 1 6 6 LEU HD12 H 1 1.004 0.01 . 1 . . . . 6 LEU HD1 . 15305 3 39 . 1 1 6 6 LEU HD13 H 1 1.004 0.01 . 1 . . . . 6 LEU HD1 . 15305 3 40 . 1 1 6 6 LEU HD21 H 1 0.827 0.01 . 1 . . . . 6 LEU HD2 . 15305 3 41 . 1 1 6 6 LEU HD22 H 1 0.827 0.01 . 1 . . . . 6 LEU HD2 . 15305 3 42 . 1 1 6 6 LEU HD23 H 1 0.827 0.01 . 1 . . . . 6 LEU HD2 . 15305 3 43 . 1 1 6 6 LEU HG H 1 1.832 0.01 . 1 . . . . 6 LEU HG . 15305 3 44 . 1 1 7 7 VAL H H 1 7.317 0.01 . 1 . . . . 7 VAL H . 15305 3 45 . 1 1 7 7 VAL HA H 1 4.508 0.01 . 1 . . . . 7 VAL HA . 15305 3 46 . 1 1 7 7 VAL HB H 1 2.362 0.01 . 1 . . . . 7 VAL HB . 15305 3 47 . 1 1 7 7 VAL HG11 H 1 1.065 0.01 . 1 . . . . 7 VAL HG1 . 15305 3 48 . 1 1 7 7 VAL HG12 H 1 1.065 0.01 . 1 . . . . 7 VAL HG1 . 15305 3 49 . 1 1 7 7 VAL HG13 H 1 1.065 0.01 . 1 . . . . 7 VAL HG1 . 15305 3 50 . 1 1 7 7 VAL HG21 H 1 1.065 0.01 . 1 . . . . 7 VAL HG2 . 15305 3 51 . 1 1 7 7 VAL HG22 H 1 1.065 0.01 . 1 . . . . 7 VAL HG2 . 15305 3 52 . 1 1 7 7 VAL HG23 H 1 1.065 0.01 . 1 . . . . 7 VAL HG2 . 15305 3 53 . 1 1 9 9 LEU H H 1 6.126 0.01 . 1 . . . . 9 LEU H . 15305 3 54 . 1 1 9 9 LEU HA H 1 4.073 0.01 . 1 . . . . 9 LEU HA . 15305 3 55 . 1 1 9 9 LEU HB2 H 1 1.099 0.01 . 1 . . . . 9 LEU HB2 . 15305 3 56 . 1 1 9 9 LEU HB3 H 1 1.013 0.01 . 1 . . . . 9 LEU HB3 . 15305 3 57 . 1 1 9 9 LEU HD11 H 1 0.763 0.01 . 2 . . . . 9 LEU HD1 . 15305 3 58 . 1 1 9 9 LEU HD12 H 1 0.763 0.01 . 2 . . . . 9 LEU HD1 . 15305 3 59 . 1 1 9 9 LEU HD13 H 1 0.763 0.01 . 2 . . . . 9 LEU HD1 . 15305 3 60 . 1 1 9 9 LEU HD21 H 1 0.763 0.01 . 2 . . . . 9 LEU HD2 . 15305 3 61 . 1 1 9 9 LEU HD22 H 1 0.763 0.01 . 2 . . . . 9 LEU HD2 . 15305 3 62 . 1 1 9 9 LEU HD23 H 1 0.763 0.01 . 2 . . . . 9 LEU HD2 . 15305 3 63 . 1 1 9 9 LEU HG H 1 1.354 0.01 . 1 . . . . 9 LEU HG . 15305 3 64 . 1 1 10 10 PHE H H 1 8.085 0.01 . 1 . . . . 10 PHE H . 15305 3 65 . 1 1 10 10 PHE HA H 1 4.902 0.01 . 1 . . . . 10 PHE HA . 15305 3 66 . 1 1 10 10 PHE HB2 H 1 3.334 0.01 . 2 . . . . 10 PHE HB2 . 15305 3 67 . 1 1 10 10 PHE HB3 H 1 2.805 0.01 . 2 . . . . 10 PHE HB3 . 15305 3 68 . 1 1 10 10 PHE HD1 H 1 7.206 0.01 . 1 . . . . 10 PHE HD1 . 15305 3 69 . 1 1 10 10 PHE HD2 H 1 7.206 0.01 . 1 . . . . 10 PHE HD2 . 15305 3 70 . 1 1 10 10 PHE HE1 H 1 7.346 0.01 . 1 . . . . 10 PHE HE1 . 15305 3 71 . 1 1 10 10 PHE HE2 H 1 7.346 0.01 . 1 . . . . 10 PHE HE2 . 15305 3 72 . 1 1 10 10 PHE HZ H 1 7.117 0.01 . 1 . . . . 10 PHE HZ . 15305 3 73 . 1 1 11 11 TYR H H 1 8.22 0.01 . 1 . . . . 11 TYR H . 15305 3 74 . 1 1 11 11 TYR HA H 1 5.429 0.01 . 1 . . . . 11 TYR HA . 15305 3 75 . 1 1 11 11 TYR HB2 H 1 2.925 0.01 . 2 . . . . 11 TYR HB2 . 15305 3 76 . 1 1 11 11 TYR HB3 H 1 2.688 0.01 . 2 . . . . 11 TYR HB3 . 15305 3 77 . 1 1 11 11 TYR HD1 H 1 6.712 0.01 . 1 . . . . 11 TYR HD1 . 15305 3 78 . 1 1 11 11 TYR HD2 H 1 6.712 0.01 . 1 . . . . 11 TYR HD2 . 15305 3 79 . 1 1 11 11 TYR HE1 H 1 6.801 0.01 . 1 . . . . 11 TYR HE1 . 15305 3 80 . 1 1 11 11 TYR HE2 H 1 6.801 0.01 . 1 . . . . 11 TYR HE2 . 15305 3 81 . 1 1 12 12 LYS H H 1 9.087 0.01 . 1 . . . . 12 LYS H . 15305 3 82 . 1 1 12 12 LYS HA H 1 4.877 0.01 . 1 . . . . 12 LYS HA . 15305 3 83 . 1 1 12 12 LYS HB2 H 1 1.683 0.01 . 1 . . . . 12 LYS HB2 . 15305 3 84 . 1 1 12 12 LYS HB3 H 1 1.683 0.01 . 1 . . . . 12 LYS HB3 . 15305 3 85 . 1 1 12 12 LYS HD2 H 1 1.904 0.01 . 1 . . . . 12 LYS HD2 . 15305 3 86 . 1 1 12 12 LYS HD3 H 1 1.904 0.01 . 1 . . . . 12 LYS HD3 . 15305 3 87 . 1 1 12 12 LYS HG2 H 1 1.402 0.01 . 2 . . . . 12 LYS HG2 . 15305 3 88 . 1 1 12 12 LYS HG3 H 1 1.17 0.01 . 2 . . . . 12 LYS HG3 . 15305 3 89 . 1 1 13 13 THR H H 1 8.747 0.01 . 1 . . . . 13 THR H . 15305 3 90 . 1 1 13 13 THR HA H 1 4.877 0.01 . 1 . . . . 13 THR HA . 15305 3 91 . 1 1 13 13 THR HB H 1 4.067 0.01 . 1 . . . . 13 THR HB . 15305 3 92 . 1 1 13 13 THR HG21 H 1 1.427 0.01 . 1 . . . . 13 THR HG2 . 15305 3 93 . 1 1 13 13 THR HG22 H 1 1.427 0.01 . 1 . . . . 13 THR HG2 . 15305 3 94 . 1 1 13 13 THR HG23 H 1 1.427 0.01 . 1 . . . . 13 THR HG2 . 15305 3 95 . 1 1 14 14 CYS H H 1 9.092 0.01 . 1 . . . . 14 CYS H . 15305 3 96 . 1 1 14 14 CYS HA H 1 4.983 0.01 . 1 . . . . 14 CYS HA . 15305 3 97 . 1 1 14 14 CYS HB2 H 1 3.493 0.01 . 2 . . . . 14 CYS HB2 . 15305 3 98 . 1 1 14 14 CYS HB3 H 1 2.65 0.01 . 2 . . . . 14 CYS HB3 . 15305 3 99 . 1 1 15 15 PRO HA H 1 4.586 0.01 . 1 . . . . 15 PRO HA . 15305 3 100 . 1 1 15 15 PRO HB2 H 1 2.409 0.01 . 2 . . . . 15 PRO HB2 . 15305 3 101 . 1 1 15 15 PRO HG2 H 1 1.972 0.01 . 2 . . . . 15 PRO HG2 . 15305 3 102 . 1 1 16 16 ALA H H 1 8.329 0.01 . 1 . . . . 16 ALA H . 15305 3 103 . 1 1 16 16 ALA HA H 1 4.104 0.01 . 1 . . . . 16 ALA HA . 15305 3 104 . 1 1 16 16 ALA HB1 H 1 1.375 0.01 . 1 . . . . 16 ALA HB . 15305 3 105 . 1 1 16 16 ALA HB2 H 1 1.375 0.01 . 1 . . . . 16 ALA HB . 15305 3 106 . 1 1 16 16 ALA HB3 H 1 1.375 0.01 . 1 . . . . 16 ALA HB . 15305 3 107 . 1 1 17 17 GLY H H 1 8.645 0.01 . 1 . . . . 17 GLY H . 15305 3 108 . 1 1 17 17 GLY HA2 H 1 4.26 0.01 . 2 . . . . 17 GLY HA2 . 15305 3 109 . 1 1 17 17 GLY HA3 H 1 3.673 0.01 . 2 . . . . 17 GLY HA3 . 15305 3 110 . 1 1 18 18 LYS H H 1 7.553 0.01 . 1 . . . . 18 LYS H . 15305 3 111 . 1 1 18 18 LYS HA H 1 4.256 0.01 . 1 . . . . 18 LYS HA . 15305 3 112 . 1 1 18 18 LYS HB2 H 1 1.372 0.01 . 1 . . . . 18 LYS HB2 . 15305 3 113 . 1 1 18 18 LYS HB3 H 1 1.372 0.01 . 1 . . . . 18 LYS HB3 . 15305 3 114 . 1 1 18 18 LYS HD2 H 1 1.906 0.01 . 1 . . . . 18 LYS HD2 . 15305 3 115 . 1 1 18 18 LYS HD3 H 1 1.906 0.01 . 1 . . . . 18 LYS HD3 . 15305 3 116 . 1 1 18 18 LYS HE2 H 1 2.953 0.01 . 1 . . . . 18 LYS HE2 . 15305 3 117 . 1 1 18 18 LYS HE3 H 1 2.953 0.01 . 1 . . . . 18 LYS HE3 . 15305 3 118 . 1 1 18 18 LYS HG2 H 1 1.051 0.01 . 1 . . . . 18 LYS HG2 . 15305 3 119 . 1 1 18 18 LYS HG3 H 1 1.051 0.01 . 1 . . . . 18 LYS HG3 . 15305 3 120 . 1 1 19 19 ASN H H 1 7.796 0.01 . 1 . . . . 19 ASN H . 15305 3 121 . 1 1 19 19 ASN HA H 1 4.928 0.01 . 1 . . . . 19 ASN HA . 15305 3 122 . 1 1 19 19 ASN HB2 H 1 3.015 0.01 . 2 . . . . 19 ASN HB2 . 15305 3 123 . 1 1 19 19 ASN HB3 H 1 2.654 0.01 . 2 . . . . 19 ASN HB3 . 15305 3 124 . 1 1 19 19 ASN HD21 H 1 7.397 0.01 . 2 . . . . 19 ASN HD21 . 15305 3 125 . 1 1 19 19 ASN HD22 H 1 6.878 0.01 . 2 . . . . 19 ASN HD22 . 15305 3 126 . 1 1 20 20 LEU H H 1 8.207 0.01 . 1 . . . . 20 LEU H . 15305 3 127 . 1 1 20 20 LEU HA H 1 4.843 0.01 . 1 . . . . 20 LEU HA . 15305 3 128 . 1 1 20 20 LEU HB2 H 1 1.681 0.01 . 2 . . . . 20 LEU HB2 . 15305 3 129 . 1 1 20 20 LEU HB3 H 1 1.532 0.01 . 2 . . . . 20 LEU HB3 . 15305 3 130 . 1 1 20 20 LEU HD11 H 1 0.851 0.01 . 2 . . . . 20 LEU HD1 . 15305 3 131 . 1 1 20 20 LEU HD12 H 1 0.851 0.01 . 2 . . . . 20 LEU HD1 . 15305 3 132 . 1 1 20 20 LEU HD13 H 1 0.851 0.01 . 2 . . . . 20 LEU HD1 . 15305 3 133 . 1 1 20 20 LEU HD21 H 1 0.745 0.01 . 2 . . . . 20 LEU HD2 . 15305 3 134 . 1 1 20 20 LEU HD22 H 1 0.745 0.01 . 2 . . . . 20 LEU HD2 . 15305 3 135 . 1 1 20 20 LEU HD23 H 1 0.745 0.01 . 2 . . . . 20 LEU HD2 . 15305 3 136 . 1 1 20 20 LEU HG H 1 1.384 0.01 . 1 . . . . 20 LEU HG . 15305 3 137 . 1 1 21 21 CYS H H 1 8.977 0.01 . 1 . . . . 21 CYS H . 15305 3 138 . 1 1 21 21 CYS HA H 1 6.117 0.01 . 1 . . . . 21 CYS HA . 15305 3 139 . 1 1 21 21 CYS HB2 H 1 3.064 0.01 . 2 . . . . 21 CYS HB2 . 15305 3 140 . 1 1 21 21 CYS HB3 H 1 2.924 0.01 . 2 . . . . 21 CYS HB3 . 15305 3 141 . 1 1 22 22 TYR H H 1 8.869 0.01 . 1 . . . . 22 TYR H . 15305 3 142 . 1 1 22 22 TYR HA H 1 6.11 0.01 . 1 . . . . 22 TYR HA . 15305 3 143 . 1 1 22 22 TYR HB2 H 1 3.087 0.01 . 2 . . . . 22 TYR HB2 . 15305 3 144 . 1 1 22 22 TYR HB3 H 1 2.928 0.01 . 2 . . . . 22 TYR HB3 . 15305 3 145 . 1 1 22 22 TYR HD1 H 1 6.606 0.01 . 1 . . . . 22 TYR HD1 . 15305 3 146 . 1 1 22 22 TYR HD2 H 1 6.606 0.01 . 1 . . . . 22 TYR HD2 . 15305 3 147 . 1 1 22 22 TYR HE1 H 1 6.711 0.01 . 1 . . . . 22 TYR HE1 . 15305 3 148 . 1 1 22 22 TYR HE2 H 1 6.711 0.01 . 1 . . . . 22 TYR HE2 . 15305 3 149 . 1 1 23 23 LYS H H 1 9.09 0.01 . 1 . . . . 23 LYS H . 15305 3 150 . 1 1 23 23 LYS HA H 1 4.961 0.01 . 1 . . . . 23 LYS HA . 15305 3 151 . 1 1 23 23 LYS HB2 H 1 1.681 0.01 . 1 . . . . 23 LYS HB2 . 15305 3 152 . 1 1 23 23 LYS HB3 H 1 1.681 0.01 . 1 . . . . 23 LYS HB3 . 15305 3 153 . 1 1 23 23 LYS HD2 H 1 1.712 0.01 . 1 . . . . 23 LYS HD2 . 15305 3 154 . 1 1 23 23 LYS HD3 H 1 1.712 0.01 . 1 . . . . 23 LYS HD3 . 15305 3 155 . 1 1 23 23 LYS HG2 H 1 1.51 0.01 . 1 . . . . 23 LYS HG2 . 15305 3 156 . 1 1 23 23 LYS HG3 H 1 1.51 0.01 . 1 . . . . 23 LYS HG3 . 15305 3 157 . 1 1 24 24 MET H H 1 8.568 0.01 . 1 . . . . 24 MET H . 15305 3 158 . 1 1 24 24 MET HA H 1 5.175 0.01 . 1 . . . . 24 MET HA . 15305 3 159 . 1 1 24 24 MET HB2 H 1 1.946 0.01 . 2 . . . . 24 MET HB2 . 15305 3 160 . 1 1 24 24 MET HB3 H 1 1.845 0.01 . 2 . . . . 24 MET HB3 . 15305 3 161 . 1 1 24 24 MET HG2 H 1 1.656 0.01 . 1 . . . . 24 MET HG2 . 15305 3 162 . 1 1 24 24 MET HG3 H 1 1.392 0.01 . 1 . . . . 24 MET HG3 . 15305 3 163 . 1 1 25 25 PHE H H 1 9.084 0.01 . 1 . . . . 25 PHE H . 15305 3 164 . 1 1 25 25 PHE HA H 1 4.996 0.01 . 1 . . . . 25 PHE HA . 15305 3 165 . 1 1 25 25 PHE HB2 H 1 2.955 0.01 . 1 . . . . 25 PHE HB2 . 15305 3 166 . 1 1 25 25 PHE HB3 H 1 2.955 0.01 . 1 . . . . 25 PHE HB3 . 15305 3 167 . 1 1 25 25 PHE HD1 H 1 6.964 0.01 . 1 . . . . 25 PHE HD1 . 15305 3 168 . 1 1 25 25 PHE HD2 H 1 6.964 0.01 . 1 . . . . 25 PHE HD2 . 15305 3 169 . 1 1 25 25 PHE HE1 H 1 7.087 0.01 . 1 . . . . 25 PHE HE1 . 15305 3 170 . 1 1 25 25 PHE HE2 H 1 7.087 0.01 . 1 . . . . 25 PHE HE2 . 15305 3 171 . 1 1 25 25 PHE HZ H 1 7.243 0.01 . 1 . . . . 25 PHE HZ . 15305 3 172 . 1 1 26 26 MET H H 1 9.67 0.01 . 1 . . . . 26 MET H . 15305 3 173 . 1 1 26 26 MET HA H 1 5.168 0.01 . 1 . . . . 26 MET HA . 15305 3 174 . 1 1 26 26 MET HB2 H 1 2.21 0.01 . 2 . . . . 26 MET HB2 . 15305 3 175 . 1 1 26 26 MET HB3 H 1 2.104 0.01 . 2 . . . . 26 MET HB3 . 15305 3 176 . 1 1 26 26 MET HG2 H 1 2.866 0.01 . 2 . . . . 26 MET HG2 . 15305 3 177 . 1 1 26 26 MET HG3 H 1 2.702 0.01 . 2 . . . . 26 MET HG3 . 15305 3 178 . 1 1 27 27 VAL H H 1 8.212 0.01 . 1 . . . . 27 VAL H . 15305 3 179 . 1 1 27 27 VAL HA H 1 3.716 0.01 . 1 . . . . 27 VAL HA . 15305 3 180 . 1 1 27 27 VAL HB H 1 1.846 0.01 . 1 . . . . 27 VAL HB . 15305 3 181 . 1 1 28 28 ALA H H 1 8.34 0.01 . 1 . . . . 28 ALA H . 15305 3 182 . 1 1 28 28 ALA HA H 1 4.135 0.01 . 1 . . . . 28 ALA HA . 15305 3 183 . 1 1 28 28 ALA HB1 H 1 1.48 0.01 . 1 . . . . 28 ALA HB . 15305 3 184 . 1 1 28 28 ALA HB2 H 1 1.48 0.01 . 1 . . . . 28 ALA HB . 15305 3 185 . 1 1 28 28 ALA HB3 H 1 1.48 0.01 . 1 . . . . 28 ALA HB . 15305 3 186 . 1 1 29 29 THR H H 1 7.48 0.01 . 1 . . . . 29 THR H . 15305 3 187 . 1 1 29 29 THR HA H 1 4.651 0.01 . 1 . . . . 29 THR HA . 15305 3 188 . 1 1 29 29 THR HB H 1 4.258 0.01 . 1 . . . . 29 THR HB . 15305 3 189 . 1 1 29 29 THR HG21 H 1 0.917 0.01 . 1 . . . . 29 THR HG2 . 15305 3 190 . 1 1 29 29 THR HG22 H 1 0.917 0.01 . 1 . . . . 29 THR HG2 . 15305 3 191 . 1 1 29 29 THR HG23 H 1 0.917 0.01 . 1 . . . . 29 THR HG2 . 15305 3 192 . 1 1 30 30 PRO HA H 1 4.266 0.01 . 1 . . . . 30 PRO HA . 15305 3 193 . 1 1 31 31 LYS H H 1 8.137 0.01 . 1 . . . . 31 LYS H . 15305 3 194 . 1 1 31 31 LYS HA H 1 4.193 0.01 . 1 . . . . 31 LYS HA . 15305 3 195 . 1 1 31 31 LYS HB2 H 1 1.807 0.01 . 2 . . . . 31 LYS HB2 . 15305 3 196 . 1 1 31 31 LYS HB3 H 1 1.746 0.01 . 2 . . . . 31 LYS HB3 . 15305 3 197 . 1 1 31 31 LYS HD2 H 1 1.476 0.01 . 2 . . . . 31 LYS HD2 . 15305 3 198 . 1 1 31 31 LYS HD3 H 1 1.476 0.01 . 2 . . . . 31 LYS HD3 . 15305 3 199 . 1 1 31 31 LYS HG2 H 1 1.611 0.01 . 1 . . . . 31 LYS HG2 . 15305 3 200 . 1 1 31 31 LYS HG3 H 1 1.611 0.01 . 1 . . . . 31 LYS HG3 . 15305 3 201 . 1 1 32 32 VAL H H 1 7.539 0.01 . 1 . . . . 32 VAL H . 15305 3 202 . 1 1 32 32 VAL HA H 1 4.692 0.01 . 1 . . . . 32 VAL HA . 15305 3 203 . 1 1 32 32 VAL HB H 1 1.965 0.01 . 1 . . . . 32 VAL HB . 15305 3 204 . 1 1 33 33 PRO HA H 1 4.344 0.01 . 1 . . . . 33 PRO HA . 15305 3 205 . 1 1 33 33 PRO HB2 H 1 1.965 0.01 . 2 . . . . 33 PRO HB2 . 15305 3 206 . 1 1 33 33 PRO HB3 H 1 1.701 0.01 . 2 . . . . 33 PRO HB3 . 15305 3 207 . 1 1 33 33 PRO HD2 H 1 3.949 0.01 . 2 . . . . 33 PRO HD2 . 15305 3 208 . 1 1 33 33 PRO HG2 H 1 1.64 0.01 . 1 . . . . 33 PRO HG2 . 15305 3 209 . 1 1 33 33 PRO HG3 H 1 1.64 0.01 . 1 . . . . 33 PRO HG3 . 15305 3 210 . 1 1 34 34 VAL H H 1 8.183 0.01 . 1 . . . . 34 VAL H . 15305 3 211 . 1 1 34 34 VAL HA H 1 4.421 0.01 . 1 . . . . 34 VAL HA . 15305 3 212 . 1 1 34 34 VAL HB H 1 2.338 0.01 . 1 . . . . 34 VAL HB . 15305 3 213 . 1 1 34 34 VAL HG11 H 1 1.002 0.01 . 2 . . . . 34 VAL HG1 . 15305 3 214 . 1 1 34 34 VAL HG12 H 1 1.002 0.01 . 2 . . . . 34 VAL HG1 . 15305 3 215 . 1 1 34 34 VAL HG13 H 1 1.002 0.01 . 2 . . . . 34 VAL HG1 . 15305 3 216 . 1 1 34 34 VAL HG21 H 1 0.825 0.01 . 2 . . . . 34 VAL HG2 . 15305 3 217 . 1 1 34 34 VAL HG22 H 1 0.825 0.01 . 2 . . . . 34 VAL HG2 . 15305 3 218 . 1 1 34 34 VAL HG23 H 1 0.825 0.01 . 2 . . . . 34 VAL HG2 . 15305 3 219 . 1 1 35 35 LYS H H 1 7.273 0.01 . 1 . . . . 35 LYS H . 15305 3 220 . 1 1 35 35 LYS HA H 1 4.463 0.01 . 1 . . . . 35 LYS HA . 15305 3 221 . 1 1 35 35 LYS HB2 H 1 1.679 0.01 . 2 . . . . 35 LYS HB2 . 15305 3 222 . 1 1 35 35 LYS HB3 H 1 1.551 0.01 . 2 . . . . 35 LYS HB3 . 15305 3 223 . 1 1 35 35 LYS HD2 H 1 1.946 0.01 . 1 . . . . 35 LYS HD2 . 15305 3 224 . 1 1 35 35 LYS HD3 H 1 1.946 0.01 . 1 . . . . 35 LYS HD3 . 15305 3 225 . 1 1 35 35 LYS HE2 H 1 2.975 0.01 . 1 . . . . 35 LYS HE2 . 15305 3 226 . 1 1 35 35 LYS HE3 H 1 2.975 0.01 . 1 . . . . 35 LYS HE3 . 15305 3 227 . 1 1 35 35 LYS HG2 H 1 1.839 0.01 . 1 . . . . 35 LYS HG2 . 15305 3 228 . 1 1 35 35 LYS HG3 H 1 1.839 0.01 . 1 . . . . 35 LYS HG3 . 15305 3 229 . 1 1 36 36 ARG H H 1 8.375 0.01 . 1 . . . . 36 ARG H . 15305 3 230 . 1 1 36 36 ARG HA H 1 4.423 0.01 . 1 . . . . 36 ARG HA . 15305 3 231 . 1 1 36 36 ARG HB2 H 1 1.835 0.01 . 2 . . . . 36 ARG HB2 . 15305 3 232 . 1 1 36 36 ARG HB3 H 1 1.73 0.01 . 2 . . . . 36 ARG HB3 . 15305 3 233 . 1 1 36 36 ARG HD2 H 1 3.057 0.01 . 2 . . . . 36 ARG HD2 . 15305 3 234 . 1 1 36 36 ARG HG2 H 1 0.922 0.01 . 1 . . . . 36 ARG HG2 . 15305 3 235 . 1 1 36 36 ARG HG3 H 1 0.922 0.01 . 1 . . . . 36 ARG HG3 . 15305 3 236 . 1 1 37 37 GLY H H 1 6.339 0.01 . 1 . . . . 37 GLY H . 15305 3 237 . 1 1 37 37 GLY HA2 H 1 4.304 0.01 . 2 . . . . 37 GLY HA2 . 15305 3 238 . 1 1 37 37 GLY HA3 H 1 3.75 0.01 . 2 . . . . 37 GLY HA3 . 15305 3 239 . 1 1 38 38 CYS H H 1 8.975 0.01 . 1 . . . . 38 CYS H . 15305 3 240 . 1 1 38 38 CYS HA H 1 5.955 0.01 . 1 . . . . 38 CYS HA . 15305 3 241 . 1 1 38 38 CYS HB2 H 1 3.514 0.01 . 2 . . . . 38 CYS HB2 . 15305 3 242 . 1 1 38 38 CYS HB3 H 1 2.92 0.01 . 2 . . . . 38 CYS HB3 . 15305 3 243 . 1 1 39 39 ILE H H 1 9.897 0.01 . 1 . . . . 39 ILE H . 15305 3 244 . 1 1 39 39 ILE HA H 1 4.464 0.01 . 1 . . . . 39 ILE HA . 15305 3 245 . 1 1 39 39 ILE HB H 1 1.785 0.01 . 1 . . . . 39 ILE HB . 15305 3 246 . 1 1 39 39 ILE HD11 H 1 0.476 0.01 . 1 . . . . 39 ILE HD1 . 15305 3 247 . 1 1 39 39 ILE HD12 H 1 0.476 0.01 . 1 . . . . 39 ILE HD1 . 15305 3 248 . 1 1 39 39 ILE HD13 H 1 0.476 0.01 . 1 . . . . 39 ILE HD1 . 15305 3 249 . 1 1 39 39 ILE HG12 H 1 1.439 0.01 . 1 . . . . 39 ILE HG12 . 15305 3 250 . 1 1 39 39 ILE HG13 H 1 1.361 0.01 . 1 . . . . 39 ILE HG13 . 15305 3 251 . 1 1 39 39 ILE HG21 H 1 0.602 0.01 . 1 . . . . 39 ILE HG2 . 15305 3 252 . 1 1 39 39 ILE HG22 H 1 0.602 0.01 . 1 . . . . 39 ILE HG2 . 15305 3 253 . 1 1 39 39 ILE HG23 H 1 0.602 0.01 . 1 . . . . 39 ILE HG2 . 15305 3 254 . 1 1 40 40 ASP H H 1 8.756 0.01 . 1 . . . . 40 ASP H . 15305 3 255 . 1 1 40 40 ASP HA H 1 4.871 0.01 . 1 . . . . 40 ASP HA . 15305 3 256 . 1 1 40 40 ASP HB2 H 1 2.779 0.01 . 1 . . . . 40 ASP HB2 . 15305 3 257 . 1 1 40 40 ASP HB3 H 1 2.768 0.01 . 1 . . . . 40 ASP HB3 . 15305 3 258 . 1 1 41 41 VAL H H 1 7.685 0.01 . 1 . . . . 41 VAL H . 15305 3 259 . 1 1 41 41 VAL HA H 1 4.027 0.01 . 1 . . . . 41 VAL HA . 15305 3 260 . 1 1 41 41 VAL HB H 1 1.726 0.01 . 1 . . . . 41 VAL HB . 15305 3 261 . 1 1 41 41 VAL HG11 H 1 0.761 0.01 . 1 . . . . 41 VAL HG1 . 15305 3 262 . 1 1 41 41 VAL HG12 H 1 0.761 0.01 . 1 . . . . 41 VAL HG1 . 15305 3 263 . 1 1 41 41 VAL HG13 H 1 0.761 0.01 . 1 . . . . 41 VAL HG1 . 15305 3 264 . 1 1 41 41 VAL HG21 H 1 0.761 0.01 . 1 . . . . 41 VAL HG2 . 15305 3 265 . 1 1 41 41 VAL HG22 H 1 0.761 0.01 . 1 . . . . 41 VAL HG2 . 15305 3 266 . 1 1 41 41 VAL HG23 H 1 0.761 0.01 . 1 . . . . 41 VAL HG2 . 15305 3 267 . 1 1 42 42 CYS H H 1 8.764 0.01 . 1 . . . . 42 CYS H . 15305 3 268 . 1 1 42 42 CYS HA H 1 4.466 0.01 . 1 . . . . 42 CYS HA . 15305 3 269 . 1 1 42 42 CYS HB2 H 1 3.086 0.01 . 2 . . . . 42 CYS HB2 . 15305 3 270 . 1 1 42 42 CYS HB3 H 1 2.762 0.01 . 2 . . . . 42 CYS HB3 . 15305 3 271 . 1 1 43 43 PRO HA H 1 4.074 0.01 . 1 . . . . 43 PRO HA . 15305 3 272 . 1 1 43 43 PRO HB2 H 1 1.67 0.01 . 2 . . . . 43 PRO HB2 . 15305 3 273 . 1 1 43 43 PRO HD2 H 1 3.889 0.01 . 2 . . . . 43 PRO HD2 . 15305 3 274 . 1 1 43 43 PRO HD3 H 1 2.499 0.01 . 2 . . . . 43 PRO HD3 . 15305 3 275 . 1 1 44 44 LYS H H 1 7.918 0.01 . 1 . . . . 44 LYS H . 15305 3 276 . 1 1 44 44 LYS HA H 1 4.227 0.01 . 1 . . . . 44 LYS HA . 15305 3 277 . 1 1 44 44 LYS HB2 H 1 1.736 0.01 . 1 . . . . 44 LYS HB2 . 15305 3 278 . 1 1 44 44 LYS HB3 H 1 1.736 0.01 . 1 . . . . 44 LYS HB3 . 15305 3 279 . 1 1 44 44 LYS HD2 H 1 1.838 0.01 . 1 . . . . 44 LYS HD2 . 15305 3 280 . 1 1 44 44 LYS HD3 H 1 1.838 0.01 . 1 . . . . 44 LYS HD3 . 15305 3 281 . 1 1 44 44 LYS HG2 H 1 1.552 0.01 . 1 . . . . 44 LYS HG2 . 15305 3 282 . 1 1 44 44 LYS HG3 H 1 1.552 0.01 . 1 . . . . 44 LYS HG3 . 15305 3 283 . 1 1 45 45 SER H H 1 8.404 0.01 . 1 . . . . 45 SER H . 15305 3 284 . 1 1 45 45 SER HA H 1 4.763 0.01 . 1 . . . . 45 SER HA . 15305 3 285 . 1 1 45 45 SER HB2 H 1 4.48 0.01 . 2 . . . . 45 SER HB2 . 15305 3 286 . 1 1 45 45 SER HB3 H 1 4.044 0.01 . 2 . . . . 45 SER HB3 . 15305 3 287 . 1 1 46 46 SER H H 1 9.259 0.01 . 1 . . . . 46 SER H . 15305 3 288 . 1 1 46 46 SER HA H 1 4.939 0.01 . 1 . . . . 46 SER HA . 15305 3 289 . 1 1 46 46 SER HB2 H 1 4.347 0.01 . 2 . . . . 46 SER HB2 . 15305 3 290 . 1 1 47 47 LEU H H 1 8.338 0.01 . 1 . . . . 47 LEU H . 15305 3 291 . 1 1 47 47 LEU HA H 1 4.267 0.01 . 1 . . . . 47 LEU HA . 15305 3 292 . 1 1 47 47 LEU HB2 H 1 1.767 0.01 . 1 . . . . 47 LEU HB2 . 15305 3 293 . 1 1 47 47 LEU HB3 H 1 1.767 0.01 . 1 . . . . 47 LEU HB3 . 15305 3 294 . 1 1 47 47 LEU HD11 H 1 0.983 0.01 . 1 . . . . 47 LEU HD1 . 15305 3 295 . 1 1 47 47 LEU HD12 H 1 0.983 0.01 . 1 . . . . 47 LEU HD1 . 15305 3 296 . 1 1 47 47 LEU HD13 H 1 0.983 0.01 . 1 . . . . 47 LEU HD1 . 15305 3 297 . 1 1 47 47 LEU HD21 H 1 0.919 0.01 . 1 . . . . 47 LEU HD2 . 15305 3 298 . 1 1 47 47 LEU HD22 H 1 0.919 0.01 . 1 . . . . 47 LEU HD2 . 15305 3 299 . 1 1 47 47 LEU HD23 H 1 0.919 0.01 . 1 . . . . 47 LEU HD2 . 15305 3 300 . 1 1 47 47 LEU HG H 1 1.643 0.01 . 1 . . . . 47 LEU HG . 15305 3 301 . 1 1 48 48 LEU H H 1 8.132 0.01 . 1 . . . . 48 LEU H . 15305 3 302 . 1 1 48 48 LEU HA H 1 4.505 0.01 . 1 . . . . 48 LEU HA . 15305 3 303 . 1 1 48 48 LEU HB2 H 1 1.756 0.01 . 1 . . . . 48 LEU HB2 . 15305 3 304 . 1 1 48 48 LEU HB3 H 1 1.756 0.01 . 1 . . . . 48 LEU HB3 . 15305 3 305 . 1 1 48 48 LEU HD11 H 1 0.991 0.01 . 2 . . . . 48 LEU HD1 . 15305 3 306 . 1 1 48 48 LEU HD12 H 1 0.991 0.01 . 2 . . . . 48 LEU HD1 . 15305 3 307 . 1 1 48 48 LEU HD13 H 1 0.991 0.01 . 2 . . . . 48 LEU HD1 . 15305 3 308 . 1 1 48 48 LEU HD21 H 1 0.89 0.01 . 2 . . . . 48 LEU HD2 . 15305 3 309 . 1 1 48 48 LEU HD22 H 1 0.89 0.01 . 2 . . . . 48 LEU HD2 . 15305 3 310 . 1 1 48 48 LEU HD23 H 1 0.89 0.01 . 2 . . . . 48 LEU HD2 . 15305 3 311 . 1 1 48 48 LEU HG H 1 1.611 0.01 . 1 . . . . 48 LEU HG . 15305 3 312 . 1 1 49 49 VAL H H 1 7.372 0.01 . 1 . . . . 49 VAL H . 15305 3 313 . 1 1 49 49 VAL HA H 1 4.902 0.01 . 1 . . . . 49 VAL HA . 15305 3 314 . 1 1 49 49 VAL HB H 1 1.884 0.01 . 1 . . . . 49 VAL HB . 15305 3 315 . 1 1 49 49 VAL HG11 H 1 0.859 0.01 . 2 . . . . 49 VAL HG1 . 15305 3 316 . 1 1 49 49 VAL HG12 H 1 0.859 0.01 . 2 . . . . 49 VAL HG1 . 15305 3 317 . 1 1 49 49 VAL HG13 H 1 0.859 0.01 . 2 . . . . 49 VAL HG1 . 15305 3 318 . 1 1 49 49 VAL HG21 H 1 0.749 0.01 . 2 . . . . 49 VAL HG2 . 15305 3 319 . 1 1 49 49 VAL HG22 H 1 0.749 0.01 . 2 . . . . 49 VAL HG2 . 15305 3 320 . 1 1 49 49 VAL HG23 H 1 0.749 0.01 . 2 . . . . 49 VAL HG2 . 15305 3 321 . 1 1 50 50 LYS H H 1 8.621 0.01 . 1 . . . . 50 LYS H . 15305 3 322 . 1 1 50 50 LYS HA H 1 4.758 0.01 . 1 . . . . 50 LYS HA . 15305 3 323 . 1 1 50 50 LYS HB2 H 1 1.377 0.01 . 1 . . . . 50 LYS HB2 . 15305 3 324 . 1 1 50 50 LYS HB3 H 1 1.377 0.01 . 1 . . . . 50 LYS HB3 . 15305 3 325 . 1 1 50 50 LYS HG2 H 1 1.167 0.01 . 2 . . . . 50 LYS HG2 . 15305 3 326 . 1 1 50 50 LYS HG3 H 1 1.014 0.01 . 2 . . . . 50 LYS HG3 . 15305 3 327 . 1 1 51 51 TYR H H 1 8.276 0.01 . 1 . . . . 51 TYR H . 15305 3 328 . 1 1 51 51 TYR HA H 1 5.341 0.01 . 1 . . . . 51 TYR HA . 15305 3 329 . 1 1 51 51 TYR HB2 H 1 2.812 0.01 . 2 . . . . 51 TYR HB2 . 15305 3 330 . 1 1 51 51 TYR HB3 H 1 2.636 0.01 . 2 . . . . 51 TYR HB3 . 15305 3 331 . 1 1 51 51 TYR HD1 H 1 6.711 0.01 . 1 . . . . 51 TYR HD1 . 15305 3 332 . 1 1 51 51 TYR HD2 H 1 6.711 0.01 . 1 . . . . 51 TYR HD2 . 15305 3 333 . 1 1 51 51 TYR HE1 H 1 6.454 0.01 . 1 . . . . 51 TYR HE1 . 15305 3 334 . 1 1 51 51 TYR HE2 H 1 6.454 0.01 . 1 . . . . 51 TYR HE2 . 15305 3 335 . 1 1 52 52 VAL H H 1 8.868 0.01 . 1 . . . . 52 VAL H . 15305 3 336 . 1 1 52 52 VAL HA H 1 4.534 0.01 . 1 . . . . 52 VAL HA . 15305 3 337 . 1 1 52 52 VAL HB H 1 2.068 0.01 . 1 . . . . 52 VAL HB . 15305 3 338 . 1 1 52 52 VAL HG11 H 1 1.161 0.01 . 2 . . . . 52 VAL HG1 . 15305 3 339 . 1 1 52 52 VAL HG12 H 1 1.161 0.01 . 2 . . . . 52 VAL HG1 . 15305 3 340 . 1 1 52 52 VAL HG13 H 1 1.161 0.01 . 2 . . . . 52 VAL HG1 . 15305 3 341 . 1 1 52 52 VAL HG21 H 1 1.074 0.01 . 2 . . . . 52 VAL HG2 . 15305 3 342 . 1 1 52 52 VAL HG22 H 1 1.074 0.01 . 2 . . . . 52 VAL HG2 . 15305 3 343 . 1 1 52 52 VAL HG23 H 1 1.074 0.01 . 2 . . . . 52 VAL HG2 . 15305 3 344 . 1 1 53 53 CYS H H 1 9.276 0.01 . 1 . . . . 53 CYS H . 15305 3 345 . 1 1 53 53 CYS HA H 1 5.908 0.01 . 1 . . . . 53 CYS HA . 15305 3 346 . 1 1 53 53 CYS HB2 H 1 3.774 0.01 . 2 . . . . 53 CYS HB2 . 15305 3 347 . 1 1 53 53 CYS HB3 H 1 3.056 0.01 . 2 . . . . 53 CYS HB3 . 15305 3 348 . 1 1 54 54 CYS H H 1 9.116 0.01 . 1 . . . . 54 CYS H . 15305 3 349 . 1 1 54 54 CYS HA H 1 5.097 0.01 . 1 . . . . 54 CYS HA . 15305 3 350 . 1 1 54 54 CYS HB2 H 1 3.641 0.01 . 2 . . . . 54 CYS HB2 . 15305 3 351 . 1 1 55 55 ASN H H 1 8.526 0.01 . 1 . . . . 55 ASN H . 15305 3 352 . 1 1 55 55 ASN HA H 1 5.152 0.01 . 1 . . . . 55 ASN HA . 15305 3 353 . 1 1 55 55 ASN HB2 H 1 3.394 0.01 . 2 . . . . 55 ASN HB2 . 15305 3 354 . 1 1 55 55 ASN HB3 H 1 2.642 0.01 . 2 . . . . 55 ASN HB3 . 15305 3 355 . 1 1 55 55 ASN HD21 H 1 6.691 0.01 . 2 . . . . 55 ASN HD21 . 15305 3 356 . 1 1 55 55 ASN HD22 H 1 7.439 0.01 . 2 . . . . 55 ASN HD22 . 15305 3 357 . 1 1 56 56 THR H H 1 7.543 0.01 . 1 . . . . 56 THR H . 15305 3 358 . 1 1 56 56 THR HA H 1 4.691 0.01 . 1 . . . . 56 THR HA . 15305 3 359 . 1 1 56 56 THR HG21 H 1 1.195 0.01 . 1 . . . . 56 THR HG2 . 15305 3 360 . 1 1 56 56 THR HG22 H 1 1.195 0.01 . 1 . . . . 56 THR HG2 . 15305 3 361 . 1 1 56 56 THR HG23 H 1 1.195 0.01 . 1 . . . . 56 THR HG2 . 15305 3 362 . 1 1 57 57 ASP H H 1 8.098 0.01 . 1 . . . . 57 ASP H . 15305 3 363 . 1 1 57 57 ASP HA H 1 4.82 0.01 . 1 . . . . 57 ASP HA . 15305 3 364 . 1 1 57 57 ASP HB2 H 1 2.492 0.01 . 2 . . . . 57 ASP HB2 . 15305 3 365 . 1 1 57 57 ASP HB3 H 1 2.256 0.01 . 2 . . . . 57 ASP HB3 . 15305 3 366 . 1 1 58 58 ARG H H 1 9.61 0.01 . 1 . . . . 58 ARG H . 15305 3 367 . 1 1 58 58 ARG HA H 1 3.387 0.01 . 1 . . . . 58 ARG HA . 15305 3 368 . 1 1 58 58 ARG HB3 H 1 1.348 0.01 . 2 . . . . 58 ARG HB3 . 15305 3 369 . 1 1 58 58 ARG HD2 H 1 2.492 0.01 . 1 . . . . 58 ARG HD2 . 15305 3 370 . 1 1 58 58 ARG HD3 H 1 2.158 0.01 . 1 . . . . 58 ARG HD3 . 15305 3 371 . 1 1 58 58 ARG HG2 H 1 0.764 0.01 . 1 . . . . 58 ARG HG2 . 15305 3 372 . 1 1 58 58 ARG HG3 H 1 0.764 0.01 . 1 . . . . 58 ARG HG3 . 15305 3 373 . 1 1 59 59 CYS H H 1 7.574 0.01 . 1 . . . . 59 CYS H . 15305 3 374 . 1 1 59 59 CYS HA H 1 4.427 0.01 . 1 . . . . 59 CYS HA . 15305 3 375 . 1 1 59 59 CYS HB2 H 1 3.627 0.01 . 2 . . . . 59 CYS HB2 . 15305 3 376 . 1 1 59 59 CYS HB3 H 1 3.338 0.01 . 2 . . . . 59 CYS HB3 . 15305 3 377 . 1 1 60 60 ASN H H 1 9.041 0.01 . 1 . . . . 60 ASN H . 15305 3 378 . 1 1 60 60 ASN HA H 1 4.343 0.01 . 1 . . . . 60 ASN HA . 15305 3 379 . 1 1 60 60 ASN HB2 H 1 2.631 0.01 . 2 . . . . 60 ASN HB2 . 15305 3 380 . 1 1 60 60 ASN HB3 H 1 2.29 0.01 . 2 . . . . 60 ASN HB3 . 15305 3 381 . 1 1 60 60 ASN HD21 H 1 7.595 0.01 . 2 . . . . 60 ASN HD21 . 15305 3 382 . 1 1 60 60 ASN HD22 H 1 7.595 0.01 . 2 . . . . 60 ASN HD22 . 15305 3 stop_ save_